USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 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+ -128:sc= 0.164 (180deg=0) USER MOD Set 1.2: A 817 GLN : amide:sc= 0.154 K(o=0.32,f=-6.6!) 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 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+ 161:sc= 0.177 (180deg=0.0732) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.11) USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 GLN : amide:sc= -2.03 K(o=-2,f=-4.3!) USER MOD Single : A 826 TYR OH : rot 180:sc= 0 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 22:sc= -2.25! USER MOD Single : A 842 SER OG : rot -43:sc= -0.445 USER MOD Single : A 844 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 THR OG1 : rot 48:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 780 -6.369 6.301 -10.945 1.00 21.32 N ATOM 2 CA GLY A 780 -6.004 7.464 -10.155 1.00 14.43 C ATOM 3 C GLY A 780 -4.631 7.279 -9.506 1.00 60.33 C ATOM 4 O GLY A 780 -4.011 6.225 -9.647 1.00 14.50 O ATOM 0 HA2 GLY A 780 -5.993 8.350 -10.790 1.00 14.43 H new ATOM 0 HA3 GLY A 780 -6.755 7.634 -9.383 1.00 14.43 H new ATOM 8 N PRO A 781 -4.184 8.346 -8.791 1.00 61.34 N ATOM 9 CA PRO A 781 -2.895 8.310 -8.121 1.00 14.41 C ATOM 10 C PRO A 781 -2.957 7.447 -6.859 1.00 51.03 C ATOM 11 O PRO A 781 -4.004 7.348 -6.221 1.00 71.33 O ATOM 12 CB PRO A 781 -2.563 9.765 -7.830 1.00 35.13 C ATOM 13 CG PRO A 781 -3.879 10.520 -7.927 1.00 11.14 C ATOM 14 CD PRO A 781 -4.891 9.609 -8.603 1.00 44.30 C ATOM 0 HA PRO A 781 -2.116 7.851 -8.730 1.00 14.41 H new ATOM 0 HB2 PRO A 781 -2.122 9.874 -6.839 1.00 35.13 H new ATOM 0 HB3 PRO A 781 -1.838 10.151 -8.546 1.00 35.13 H new ATOM 0 HG2 PRO A 781 -4.228 10.808 -6.935 1.00 11.14 H new ATOM 0 HG3 PRO A 781 -3.751 11.439 -8.499 1.00 11.14 H new ATOM 0 HD2 PRO A 781 -5.780 9.477 -7.986 1.00 44.30 H new ATOM 0 HD3 PRO A 781 -5.223 10.023 -9.555 1.00 44.30 H new ATOM 22 N GLY A 782 -1.822 6.845 -6.537 1.00 60.50 N ATOM 23 CA GLY A 782 -1.734 5.993 -5.363 1.00 22.10 C ATOM 24 C GLY A 782 -1.042 6.720 -4.209 1.00 5.54 C ATOM 25 O GLY A 782 -1.485 7.788 -3.788 1.00 33.45 O ATOM 0 H GLY A 782 -0.955 6.930 -7.068 1.00 60.50 H new ATOM 0 HA2 GLY A 782 -2.734 5.686 -5.057 1.00 22.10 H new ATOM 0 HA3 GLY A 782 -1.183 5.085 -5.608 1.00 22.10 H new ATOM 29 N THR A 783 0.035 6.114 -3.730 1.00 13.04 N ATOM 30 CA THR A 783 0.793 6.691 -2.632 1.00 74.22 C ATOM 31 C THR A 783 1.932 7.559 -3.169 1.00 52.23 C ATOM 32 O THR A 783 2.223 8.619 -2.617 1.00 21.23 O ATOM 33 CB THR A 783 1.271 5.547 -1.736 1.00 1.13 C ATOM 34 OG1 THR A 783 0.069 5.000 -1.200 1.00 24.20 O ATOM 35 CG2 THR A 783 2.033 6.046 -0.507 1.00 5.24 C ATOM 0 H THR A 783 0.401 5.229 -4.082 1.00 13.04 H new ATOM 0 HA THR A 783 0.174 7.357 -2.031 1.00 74.22 H new ATOM 0 HB THR A 783 1.909 4.877 -2.312 1.00 1.13 H new ATOM 0 HG1 THR A 783 0.286 4.250 -0.608 1.00 24.20 H new ATOM 0 HG21 THR A 783 2.350 5.194 0.095 1.00 5.24 H new ATOM 0 HG22 THR A 783 2.909 6.611 -0.826 1.00 5.24 H new ATOM 0 HG23 THR A 783 1.384 6.689 0.087 1.00 5.24 H new ATOM 43 N PHE A 784 2.545 7.078 -4.240 1.00 44.15 N ATOM 44 CA PHE A 784 3.646 7.797 -4.859 1.00 4.24 C ATOM 45 C PHE A 784 3.172 9.129 -5.444 1.00 33.04 C ATOM 46 O PHE A 784 2.012 9.505 -5.280 1.00 21.13 O ATOM 47 CB PHE A 784 4.176 6.916 -5.991 1.00 42.15 C ATOM 48 CG PHE A 784 5.174 5.850 -5.536 1.00 21.44 C ATOM 49 CD1 PHE A 784 6.298 6.214 -4.861 1.00 74.52 C ATOM 50 CD2 PHE A 784 4.938 4.538 -5.805 1.00 35.42 C ATOM 51 CE1 PHE A 784 7.224 5.224 -4.438 1.00 73.30 C ATOM 52 CE2 PHE A 784 5.864 3.548 -5.382 1.00 34.14 C ATOM 53 CZ PHE A 784 6.987 3.912 -4.707 1.00 61.22 C ATOM 0 H PHE A 784 2.300 6.199 -4.695 1.00 44.15 H new ATOM 0 HA PHE A 784 4.415 8.011 -4.116 1.00 4.24 H new ATOM 0 HB2 PHE A 784 3.334 6.426 -6.480 1.00 42.15 H new ATOM 0 HB3 PHE A 784 4.653 7.550 -6.738 1.00 42.15 H new ATOM 0 HD1 PHE A 784 6.486 7.256 -4.647 1.00 74.52 H new ATOM 0 HD2 PHE A 784 4.046 4.249 -6.341 1.00 35.42 H new ATOM 0 HE1 PHE A 784 8.116 5.513 -3.903 1.00 73.30 H new ATOM 0 HE2 PHE A 784 5.676 2.506 -5.596 1.00 34.14 H new ATOM 0 HZ PHE A 784 7.691 3.159 -4.384 1.00 61.22 H new ATOM 63 N GLY A 785 4.093 9.806 -6.114 1.00 15.13 N ATOM 64 CA GLY A 785 3.783 11.088 -6.724 1.00 33.11 C ATOM 65 C GLY A 785 4.708 11.369 -7.909 1.00 65.02 C ATOM 66 O GLY A 785 4.522 10.816 -8.992 1.00 32.00 O ATOM 0 H GLY A 785 5.054 9.491 -6.248 1.00 15.13 H new ATOM 0 HA2 GLY A 785 2.746 11.094 -7.058 1.00 33.11 H new ATOM 0 HA3 GLY A 785 3.884 11.881 -5.983 1.00 33.11 H new ATOM 70 N THR A 786 5.687 12.228 -7.664 1.00 53.22 N ATOM 71 CA THR A 786 6.642 12.589 -8.698 1.00 11.41 C ATOM 72 C THR A 786 7.972 13.011 -8.071 1.00 2.12 C ATOM 73 O THR A 786 8.064 13.179 -6.856 1.00 2.42 O ATOM 74 CB THR A 786 6.008 13.677 -9.568 1.00 25.20 C ATOM 75 OG1 THR A 786 5.336 14.519 -8.636 1.00 74.10 O ATOM 76 CG2 THR A 786 4.888 13.136 -10.458 1.00 33.30 C ATOM 0 H THR A 786 5.839 12.684 -6.765 1.00 53.22 H new ATOM 0 HA THR A 786 6.875 11.737 -9.336 1.00 11.41 H new ATOM 0 HB THR A 786 6.775 14.137 -10.191 1.00 25.20 H new ATOM 0 HG1 THR A 786 4.898 15.253 -9.115 1.00 74.10 H new ATOM 0 HG21 THR A 786 4.473 13.948 -11.054 1.00 33.30 H new ATOM 0 HG22 THR A 786 5.288 12.368 -11.120 1.00 33.30 H new ATOM 0 HG23 THR A 786 4.104 12.706 -9.835 1.00 33.30 H new ATOM 84 N ALA A 787 8.970 13.170 -8.928 1.00 71.21 N ATOM 85 CA ALA A 787 10.291 13.569 -8.473 1.00 60.33 C ATOM 86 C ALA A 787 10.935 14.475 -9.524 1.00 42.02 C ATOM 87 O ALA A 787 11.339 14.008 -10.588 1.00 40.22 O ATOM 88 CB ALA A 787 11.130 12.322 -8.185 1.00 71.04 C ATOM 0 H ALA A 787 8.890 13.030 -9.935 1.00 71.21 H new ATOM 0 HA ALA A 787 10.222 14.137 -7.545 1.00 60.33 H new ATOM 0 HB1 ALA A 787 12.121 12.621 -7.844 1.00 71.04 H new ATOM 0 HB2 ALA A 787 10.644 11.727 -7.412 1.00 71.04 H new ATOM 0 HB3 ALA A 787 11.223 11.728 -9.094 1.00 71.04 H new ATOM 94 N LYS A 788 11.011 15.755 -9.189 1.00 63.42 N ATOM 95 CA LYS A 788 11.600 16.731 -10.091 1.00 34.43 C ATOM 96 C LYS A 788 13.095 16.444 -10.240 1.00 2.44 C ATOM 97 O LYS A 788 13.799 16.270 -9.246 1.00 44.03 O ATOM 98 CB LYS A 788 11.290 18.152 -9.618 1.00 14.24 C ATOM 99 CG LYS A 788 11.777 19.187 -10.634 1.00 22.22 C ATOM 100 CD LYS A 788 11.397 20.604 -10.199 1.00 25.31 C ATOM 101 CE LYS A 788 11.080 21.483 -11.410 1.00 64.34 C ATOM 102 NZ LYS A 788 10.837 22.880 -10.987 1.00 73.15 N ATOM 0 H LYS A 788 10.675 16.139 -8.306 1.00 63.42 H new ATOM 0 HA LYS A 788 11.159 16.647 -11.084 1.00 34.43 H new ATOM 0 HB2 LYS A 788 10.216 18.263 -9.467 1.00 14.24 H new ATOM 0 HB3 LYS A 788 11.767 18.331 -8.654 1.00 14.24 H new ATOM 0 HG2 LYS A 788 12.859 19.114 -10.742 1.00 22.22 H new ATOM 0 HG3 LYS A 788 11.344 18.974 -11.611 1.00 22.22 H new ATOM 0 HD2 LYS A 788 10.532 20.565 -9.537 1.00 25.31 H new ATOM 0 HD3 LYS A 788 12.215 21.045 -9.629 1.00 25.31 H new ATOM 0 HE2 LYS A 788 11.908 21.450 -12.118 1.00 64.34 H new ATOM 0 HE3 LYS A 788 10.203 21.096 -11.928 1.00 64.34 H new ATOM 0 HZ1 LYS A 788 10.623 23.463 -11.821 1.00 73.15 H new ATOM 0 HZ2 LYS A 788 10.032 22.908 -10.329 1.00 73.15 H new ATOM 0 HZ3 LYS A 788 11.685 23.252 -10.513 1.00 73.15 H new ATOM 115 N ALA A 789 13.536 16.405 -11.488 1.00 61.14 N ATOM 116 CA ALA A 789 14.935 16.143 -11.780 1.00 62.12 C ATOM 117 C ALA A 789 15.752 17.411 -11.523 1.00 14.04 C ATOM 118 O ALA A 789 15.363 18.500 -11.943 1.00 63.35 O ATOM 119 CB ALA A 789 15.072 15.644 -13.220 1.00 71.10 C ATOM 0 H ALA A 789 12.949 16.551 -12.309 1.00 61.14 H new ATOM 0 HA ALA A 789 15.323 15.362 -11.126 1.00 62.12 H new ATOM 0 HB1 ALA A 789 16.122 15.448 -13.439 1.00 71.10 H new ATOM 0 HB2 ALA A 789 14.498 14.726 -13.343 1.00 71.10 H new ATOM 0 HB3 ALA A 789 14.694 16.403 -13.905 1.00 71.10 H new ATOM 125 N ARG A 790 16.868 17.228 -10.832 1.00 74.15 N ATOM 126 CA ARG A 790 17.742 18.344 -10.514 1.00 21.22 C ATOM 127 C ARG A 790 18.979 18.322 -11.414 1.00 4.35 C ATOM 128 O ARG A 790 19.846 19.188 -11.304 1.00 40.30 O ATOM 129 CB ARG A 790 18.184 18.297 -9.050 1.00 33.23 C ATOM 130 CG ARG A 790 17.006 18.570 -8.113 1.00 14.24 C ATOM 131 CD ARG A 790 16.605 20.046 -8.152 1.00 2.45 C ATOM 132 NE ARG A 790 17.409 20.815 -7.175 1.00 31.33 N ATOM 133 CZ ARG A 790 17.441 22.163 -7.114 1.00 73.05 C ATOM 134 NH1 ARG A 790 16.712 22.905 -7.976 1.00 25.40 N ATOM 135 NH2 ARG A 790 18.195 22.745 -6.201 1.00 15.23 N ATOM 0 H ARG A 790 17.187 16.324 -10.484 1.00 74.15 H new ATOM 0 HA ARG A 790 17.182 19.263 -10.683 1.00 21.22 H new ATOM 0 HB2 ARG A 790 18.612 17.320 -8.827 1.00 33.23 H new ATOM 0 HB3 ARG A 790 18.968 19.035 -8.879 1.00 33.23 H new ATOM 0 HG2 ARG A 790 16.156 17.951 -8.401 1.00 14.24 H new ATOM 0 HG3 ARG A 790 17.274 18.289 -7.095 1.00 14.24 H new ATOM 0 HD2 ARG A 790 16.756 20.446 -9.155 1.00 2.45 H new ATOM 0 HD3 ARG A 790 15.544 20.149 -7.924 1.00 2.45 H new ATOM 0 HE ARG A 790 17.975 20.293 -6.506 1.00 31.33 H new ATOM 0 HH11 ARG A 790 16.132 22.447 -8.679 1.00 25.40 H new ATOM 0 HH12 ARG A 790 16.741 23.923 -7.924 1.00 25.40 H new ATOM 0 HH21 ARG A 790 18.743 22.177 -5.554 1.00 15.23 H new ATOM 0 HH22 ARG A 790 18.230 23.763 -6.142 1.00 15.23 H new ATOM 148 N TYR A 791 19.022 17.323 -12.283 1.00 4.32 N ATOM 149 CA TYR A 791 20.139 17.178 -13.201 1.00 22.31 C ATOM 150 C TYR A 791 19.753 16.312 -14.402 1.00 15.12 C ATOM 151 O TYR A 791 19.228 15.212 -14.235 1.00 51.15 O ATOM 152 CB TYR A 791 21.244 16.471 -12.413 1.00 33.15 C ATOM 153 CG TYR A 791 21.531 17.096 -11.046 1.00 55.31 C ATOM 154 CD1 TYR A 791 22.474 18.097 -10.929 1.00 52.14 C ATOM 155 CD2 TYR A 791 20.846 16.660 -9.930 1.00 21.20 C ATOM 156 CE1 TYR A 791 22.744 18.686 -9.643 1.00 72.23 C ATOM 157 CE2 TYR A 791 21.116 17.248 -8.644 1.00 1.52 C ATOM 158 CZ TYR A 791 22.052 18.232 -8.564 1.00 14.40 C ATOM 159 OH TYR A 791 22.307 18.788 -7.349 1.00 55.43 O ATOM 0 H TYR A 791 18.302 16.606 -12.371 1.00 4.32 H new ATOM 0 HA TYR A 791 20.452 18.151 -13.580 1.00 22.31 H new ATOM 0 HB2 TYR A 791 20.965 15.427 -12.272 1.00 33.15 H new ATOM 0 HB3 TYR A 791 22.160 16.479 -13.004 1.00 33.15 H new ATOM 0 HD1 TYR A 791 23.010 18.439 -11.802 1.00 52.14 H new ATOM 0 HD2 TYR A 791 20.107 15.878 -10.021 1.00 21.20 H new ATOM 0 HE1 TYR A 791 23.479 19.470 -9.538 1.00 72.23 H new ATOM 0 HE2 TYR A 791 20.588 16.916 -7.763 1.00 1.52 H new ATOM 0 HH TYR A 791 21.739 18.367 -6.671 1.00 55.43 H new ATOM 169 N ASP A 792 20.027 16.842 -15.585 1.00 74.40 N ATOM 170 CA ASP A 792 19.714 16.131 -16.813 1.00 51.24 C ATOM 171 C ASP A 792 20.575 14.870 -16.901 1.00 71.50 C ATOM 172 O ASP A 792 21.783 14.952 -17.116 1.00 22.12 O ATOM 173 CB ASP A 792 20.014 16.994 -18.040 1.00 51.44 C ATOM 174 CG ASP A 792 20.163 16.223 -19.353 1.00 75.22 C ATOM 175 OD1 ASP A 792 19.210 15.592 -19.835 1.00 13.03 O ATOM 176 OD2 ASP A 792 21.332 16.287 -19.894 1.00 51.31 O ATOM 0 H ASP A 792 20.462 17.755 -15.719 1.00 74.40 H new ATOM 0 HA ASP A 792 18.653 15.882 -16.797 1.00 51.24 H new ATOM 0 HB2 ASP A 792 19.214 17.726 -18.155 1.00 51.44 H new ATOM 0 HB3 ASP A 792 20.933 17.551 -17.857 1.00 51.44 H new ATOM 182 N PHE A 793 19.919 13.731 -16.730 1.00 50.13 N ATOM 183 CA PHE A 793 20.609 12.454 -16.787 1.00 63.24 C ATOM 184 C PHE A 793 20.444 11.802 -18.162 1.00 11.12 C ATOM 185 O PHE A 793 19.323 11.576 -18.614 1.00 72.45 O ATOM 186 CB PHE A 793 19.971 11.553 -15.729 1.00 31.44 C ATOM 187 CG PHE A 793 20.929 10.520 -15.131 1.00 74.31 C ATOM 188 CD1 PHE A 793 22.191 10.885 -14.781 1.00 12.53 C ATOM 189 CD2 PHE A 793 20.518 9.236 -14.951 1.00 33.14 C ATOM 190 CE1 PHE A 793 23.080 9.927 -14.226 1.00 75.12 C ATOM 191 CE2 PHE A 793 21.407 8.277 -14.396 1.00 54.31 C ATOM 192 CZ PHE A 793 22.669 8.643 -14.046 1.00 12.03 C ATOM 0 H PHE A 793 18.917 13.667 -16.552 1.00 50.13 H new ATOM 0 HA PHE A 793 21.675 12.599 -16.609 1.00 63.24 H new ATOM 0 HB2 PHE A 793 19.577 12.176 -14.926 1.00 31.44 H new ATOM 0 HB3 PHE A 793 19.123 11.032 -16.174 1.00 31.44 H new ATOM 0 HD1 PHE A 793 22.518 11.904 -14.925 1.00 12.53 H new ATOM 0 HD2 PHE A 793 19.516 8.946 -15.230 1.00 33.14 H new ATOM 0 HE1 PHE A 793 24.082 10.218 -13.947 1.00 75.12 H new ATOM 0 HE2 PHE A 793 21.081 7.258 -14.252 1.00 54.31 H new ATOM 0 HZ PHE A 793 23.345 7.914 -13.625 1.00 12.03 H new ATOM 202 N CYS A 794 21.577 11.519 -18.787 1.00 60.22 N ATOM 203 CA CYS A 794 21.572 10.898 -20.101 1.00 32.42 C ATOM 204 C CYS A 794 21.525 9.380 -19.914 1.00 62.22 C ATOM 205 O CYS A 794 22.378 8.808 -19.237 1.00 61.42 O ATOM 206 CB CYS A 794 22.777 11.333 -20.937 1.00 54.22 C ATOM 207 SG CYS A 794 22.841 13.159 -21.038 1.00 4.22 S ATOM 0 H CYS A 794 22.505 11.708 -18.408 1.00 60.22 H new ATOM 0 HA CYS A 794 20.692 11.222 -20.656 1.00 32.42 H new ATOM 0 HB2 CYS A 794 23.696 10.953 -20.491 1.00 54.22 H new ATOM 0 HB3 CYS A 794 22.709 10.907 -21.938 1.00 54.22 H new ATOM 0 HG CYS A 794 23.869 13.519 -21.748 1.00 4.22 H new ATOM 213 N ALA A 795 20.520 8.771 -20.527 1.00 24.14 N ATOM 214 CA ALA A 795 20.352 7.331 -20.436 1.00 75.44 C ATOM 215 C ALA A 795 21.151 6.657 -21.554 1.00 33.24 C ATOM 216 O ALA A 795 20.978 6.980 -22.728 1.00 15.44 O ATOM 217 CB ALA A 795 18.862 6.986 -20.496 1.00 11.41 C ATOM 0 H ALA A 795 19.815 9.249 -21.088 1.00 24.14 H new ATOM 0 HA ALA A 795 20.735 6.959 -19.486 1.00 75.44 H new ATOM 0 HB1 ALA A 795 18.736 5.905 -20.428 1.00 11.41 H new ATOM 0 HB2 ALA A 795 18.344 7.465 -19.665 1.00 11.41 H new ATOM 0 HB3 ALA A 795 18.444 7.341 -21.438 1.00 11.41 H new ATOM 223 N ARG A 796 22.009 5.732 -21.149 1.00 11.11 N ATOM 224 CA ARG A 796 22.835 5.010 -22.101 1.00 63.11 C ATOM 225 C ARG A 796 22.214 3.648 -22.418 1.00 12.13 C ATOM 226 O ARG A 796 22.460 3.081 -23.481 1.00 44.42 O ATOM 227 CB ARG A 796 24.250 4.803 -21.557 1.00 21.02 C ATOM 228 CG ARG A 796 24.653 5.949 -20.626 1.00 74.04 C ATOM 229 CD ARG A 796 24.497 7.302 -21.324 1.00 64.10 C ATOM 230 NE ARG A 796 25.800 7.742 -21.871 1.00 24.23 N ATOM 231 CZ ARG A 796 25.943 8.708 -22.803 1.00 12.25 C ATOM 232 NH1 ARG A 796 24.861 9.345 -23.300 1.00 64.12 N ATOM 233 NH2 ARG A 796 27.155 9.021 -23.220 1.00 4.21 N ATOM 0 H ARG A 796 22.150 5.466 -20.174 1.00 11.11 H new ATOM 0 HA ARG A 796 22.891 5.608 -23.011 1.00 63.11 H new ATOM 0 HB2 ARG A 796 24.301 3.857 -21.018 1.00 21.02 H new ATOM 0 HB3 ARG A 796 24.956 4.737 -22.385 1.00 21.02 H new ATOM 0 HG2 ARG A 796 24.037 5.926 -19.727 1.00 74.04 H new ATOM 0 HG3 ARG A 796 25.687 5.817 -20.307 1.00 74.04 H new ATOM 0 HD2 ARG A 796 23.764 7.224 -22.127 1.00 64.10 H new ATOM 0 HD3 ARG A 796 24.120 8.043 -20.619 1.00 64.10 H new ATOM 0 HE ARG A 796 26.643 7.287 -21.522 1.00 24.23 H new ATOM 0 HH11 ARG A 796 23.928 9.097 -22.971 1.00 64.12 H new ATOM 0 HH12 ARG A 796 24.977 10.074 -24.004 1.00 64.12 H new ATOM 0 HH21 ARG A 796 27.967 8.535 -22.839 1.00 4.21 H new ATOM 0 HH22 ARG A 796 27.280 9.749 -23.924 1.00 4.21 H new ATOM 246 N ASP A 797 21.420 3.162 -21.475 1.00 53.30 N ATOM 247 CA ASP A 797 20.761 1.878 -21.640 1.00 70.41 C ATOM 248 C ASP A 797 19.328 1.973 -21.113 1.00 73.14 C ATOM 249 O ASP A 797 18.946 2.981 -20.522 1.00 13.33 O ATOM 250 CB ASP A 797 21.483 0.783 -20.851 1.00 53.25 C ATOM 251 CG ASP A 797 22.849 0.379 -21.409 1.00 2.05 C ATOM 252 OD1 ASP A 797 23.500 1.152 -22.127 1.00 40.11 O ATOM 253 OD2 ASP A 797 23.248 -0.801 -21.072 1.00 75.04 O ATOM 0 H ASP A 797 21.218 3.635 -20.594 1.00 53.30 H new ATOM 0 HA ASP A 797 20.773 1.627 -22.701 1.00 70.41 H new ATOM 0 HB2 ASP A 797 21.613 1.122 -19.823 1.00 53.25 H new ATOM 0 HB3 ASP A 797 20.845 -0.100 -20.817 1.00 53.25 H new ATOM 259 N ARG A 798 18.573 0.909 -21.347 1.00 43.24 N ATOM 260 CA ARG A 798 17.190 0.860 -20.904 1.00 4.11 C ATOM 261 C ARG A 798 17.125 0.790 -19.377 1.00 11.21 C ATOM 262 O ARG A 798 16.048 0.900 -18.793 1.00 20.53 O ATOM 263 CB ARG A 798 16.465 -0.351 -21.495 1.00 3.34 C ATOM 264 CG ARG A 798 14.948 -0.172 -21.418 1.00 14.02 C ATOM 265 CD ARG A 798 14.460 0.834 -22.462 1.00 45.33 C ATOM 266 NE ARG A 798 14.511 2.205 -21.906 1.00 52.15 N ATOM 267 CZ ARG A 798 14.154 3.313 -22.591 1.00 34.35 C ATOM 268 NH1 ARG A 798 13.716 3.220 -23.864 1.00 42.13 N ATOM 269 NH2 ARG A 798 14.239 4.488 -21.995 1.00 73.22 N ATOM 0 H ARG A 798 18.893 0.074 -21.838 1.00 43.24 H new ATOM 0 HA ARG A 798 16.698 1.768 -21.251 1.00 4.11 H new ATOM 0 HB2 ARG A 798 16.766 -0.489 -22.533 1.00 3.34 H new ATOM 0 HB3 ARG A 798 16.756 -1.253 -20.956 1.00 3.34 H new ATOM 0 HG2 ARG A 798 14.457 -1.132 -21.576 1.00 14.02 H new ATOM 0 HG3 ARG A 798 14.669 0.169 -20.421 1.00 14.02 H new ATOM 0 HD2 ARG A 798 15.080 0.772 -23.356 1.00 45.33 H new ATOM 0 HD3 ARG A 798 13.441 0.592 -22.763 1.00 45.33 H new ATOM 0 HE ARG A 798 14.836 2.320 -20.946 1.00 52.15 H new ATOM 0 HH11 ARG A 798 13.652 2.308 -24.316 1.00 42.13 H new ATOM 0 HH12 ARG A 798 13.448 4.062 -24.374 1.00 42.13 H new ATOM 0 HH21 ARG A 798 14.570 4.549 -21.032 1.00 73.22 H new ATOM 0 HH22 ARG A 798 13.974 5.335 -22.497 1.00 73.22 H new ATOM 282 N SER A 799 18.291 0.609 -18.774 1.00 73.51 N ATOM 283 CA SER A 799 18.379 0.523 -17.326 1.00 62.23 C ATOM 284 C SER A 799 18.566 1.919 -16.730 1.00 14.42 C ATOM 285 O SER A 799 18.958 2.057 -15.572 1.00 73.41 O ATOM 286 CB SER A 799 19.526 -0.395 -16.898 1.00 43.41 C ATOM 287 OG SER A 799 20.800 0.202 -17.124 1.00 43.52 O ATOM 0 H SER A 799 19.182 0.520 -19.262 1.00 73.51 H new ATOM 0 HA SER A 799 17.449 0.096 -16.951 1.00 62.23 H new ATOM 0 HB2 SER A 799 19.421 -0.637 -15.840 1.00 43.41 H new ATOM 0 HB3 SER A 799 19.463 -1.334 -17.448 1.00 43.41 H new ATOM 0 HG SER A 799 21.506 -0.414 -16.836 1.00 43.52 H new ATOM 293 N GLU A 800 18.276 2.921 -17.548 1.00 33.44 N ATOM 294 CA GLU A 800 18.406 4.302 -17.115 1.00 63.24 C ATOM 295 C GLU A 800 17.238 5.136 -17.644 1.00 42.35 C ATOM 296 O GLU A 800 16.741 4.889 -18.742 1.00 44.43 O ATOM 297 CB GLU A 800 19.747 4.891 -17.560 1.00 34.12 C ATOM 298 CG GLU A 800 19.975 6.267 -16.932 1.00 44.55 C ATOM 299 CD GLU A 800 21.469 6.547 -16.754 1.00 40.32 C ATOM 300 OE1 GLU A 800 21.952 7.617 -17.155 1.00 74.24 O ATOM 301 OE2 GLU A 800 22.135 5.607 -16.174 1.00 75.42 O ATOM 0 H GLU A 800 17.952 2.804 -18.508 1.00 33.44 H new ATOM 0 HA GLU A 800 18.379 4.326 -16.026 1.00 63.24 H new ATOM 0 HB2 GLU A 800 20.556 4.219 -17.275 1.00 34.12 H new ATOM 0 HB3 GLU A 800 19.769 4.975 -18.647 1.00 34.12 H new ATOM 0 HG2 GLU A 800 19.530 7.037 -17.562 1.00 44.55 H new ATOM 0 HG3 GLU A 800 19.474 6.317 -15.965 1.00 44.55 H new ATOM 309 N LEU A 801 16.833 6.107 -16.839 1.00 5.22 N ATOM 310 CA LEU A 801 15.733 6.980 -17.212 1.00 61.42 C ATOM 311 C LEU A 801 16.292 8.318 -17.700 1.00 73.31 C ATOM 312 O LEU A 801 17.211 8.868 -17.096 1.00 12.24 O ATOM 313 CB LEU A 801 14.739 7.113 -16.057 1.00 21.33 C ATOM 314 CG LEU A 801 13.278 7.334 -16.451 1.00 55.33 C ATOM 315 CD1 LEU A 801 12.409 7.587 -15.218 1.00 11.34 C ATOM 316 CD2 LEU A 801 13.152 8.459 -17.481 1.00 61.11 C ATOM 0 H LEU A 801 17.247 6.309 -15.929 1.00 5.22 H new ATOM 0 HA LEU A 801 15.169 6.549 -18.039 1.00 61.42 H new ATOM 0 HB2 LEU A 801 14.798 6.211 -15.448 1.00 21.33 H new ATOM 0 HB3 LEU A 801 15.054 7.944 -15.427 1.00 21.33 H new ATOM 0 HG LEU A 801 12.910 6.422 -16.922 1.00 55.33 H new ATOM 0 HD11 LEU A 801 11.375 7.741 -15.527 1.00 11.34 H new ATOM 0 HD12 LEU A 801 12.464 6.727 -14.551 1.00 11.34 H new ATOM 0 HD13 LEU A 801 12.768 8.474 -14.696 1.00 11.34 H new ATOM 0 HD21 LEU A 801 12.103 8.596 -17.744 1.00 61.11 H new ATOM 0 HD22 LEU A 801 13.544 9.384 -17.059 1.00 61.11 H new ATOM 0 HD23 LEU A 801 13.719 8.199 -18.375 1.00 61.11 H new ATOM 328 N SER A 802 15.713 8.802 -18.789 1.00 2.40 N ATOM 329 CA SER A 802 16.142 10.066 -19.365 1.00 32.30 C ATOM 330 C SER A 802 15.596 11.230 -18.536 1.00 44.53 C ATOM 331 O SER A 802 14.429 11.596 -18.666 1.00 42.41 O ATOM 332 CB SER A 802 15.686 10.190 -20.820 1.00 50.31 C ATOM 333 OG SER A 802 16.566 9.515 -21.715 1.00 35.42 O ATOM 0 H SER A 802 14.951 8.342 -19.288 1.00 2.40 H new ATOM 0 HA SER A 802 17.231 10.098 -19.350 1.00 32.30 H new ATOM 0 HB2 SER A 802 14.681 9.780 -20.921 1.00 50.31 H new ATOM 0 HB3 SER A 802 15.629 11.244 -21.093 1.00 50.31 H new ATOM 0 HG SER A 802 16.239 9.616 -22.633 1.00 35.42 H new ATOM 339 N LEU A 803 16.467 11.781 -17.703 1.00 20.42 N ATOM 340 CA LEU A 803 16.087 12.896 -16.853 1.00 4.40 C ATOM 341 C LEU A 803 16.455 14.209 -17.548 1.00 14.12 C ATOM 342 O LEU A 803 17.328 14.234 -18.413 1.00 45.31 O ATOM 343 CB LEU A 803 16.704 12.744 -15.461 1.00 60.11 C ATOM 344 CG LEU A 803 15.896 11.920 -14.456 1.00 65.44 C ATOM 345 CD1 LEU A 803 15.072 10.844 -15.166 1.00 50.25 C ATOM 346 CD2 LEU A 803 16.805 11.326 -13.378 1.00 1.22 C ATOM 0 H LEU A 803 17.435 11.476 -17.599 1.00 20.42 H new ATOM 0 HA LEU A 803 15.008 12.907 -16.699 1.00 4.40 H new ATOM 0 HB2 LEU A 803 17.687 12.286 -15.569 1.00 60.11 H new ATOM 0 HB3 LEU A 803 16.860 13.739 -15.044 1.00 60.11 H new ATOM 0 HG LEU A 803 15.193 12.586 -13.955 1.00 65.44 H new ATOM 0 HD11 LEU A 803 14.507 10.273 -14.429 1.00 50.25 H new ATOM 0 HD12 LEU A 803 14.382 11.316 -15.865 1.00 50.25 H new ATOM 0 HD13 LEU A 803 15.739 10.175 -15.710 1.00 50.25 H new ATOM 0 HD21 LEU A 803 16.206 10.745 -12.677 1.00 1.22 H new ATOM 0 HD22 LEU A 803 17.547 10.678 -13.844 1.00 1.22 H new ATOM 0 HD23 LEU A 803 17.310 12.131 -12.844 1.00 1.22 H new ATOM 358 N LYS A 804 15.769 15.268 -17.143 1.00 33.10 N ATOM 359 CA LYS A 804 16.012 16.581 -17.716 1.00 32.11 C ATOM 360 C LYS A 804 15.566 17.656 -16.723 1.00 53.32 C ATOM 361 O LYS A 804 14.373 17.813 -16.467 1.00 11.11 O ATOM 362 CB LYS A 804 15.347 16.698 -19.089 1.00 61.20 C ATOM 363 CG LYS A 804 16.150 17.619 -20.010 1.00 72.21 C ATOM 364 CD LYS A 804 15.661 19.065 -19.901 1.00 25.34 C ATOM 365 CE LYS A 804 14.408 19.286 -20.750 1.00 20.23 C ATOM 366 NZ LYS A 804 13.673 20.484 -20.286 1.00 34.51 N ATOM 0 H LYS A 804 15.045 15.243 -16.425 1.00 33.10 H new ATOM 0 HA LYS A 804 17.078 16.729 -17.890 1.00 32.11 H new ATOM 0 HB2 LYS A 804 15.262 15.710 -19.541 1.00 61.20 H new ATOM 0 HB3 LYS A 804 14.334 17.085 -18.975 1.00 61.20 H new ATOM 0 HG2 LYS A 804 17.207 17.568 -19.749 1.00 72.21 H new ATOM 0 HG3 LYS A 804 16.059 17.277 -21.041 1.00 72.21 H new ATOM 0 HD2 LYS A 804 15.445 19.302 -18.859 1.00 25.34 H new ATOM 0 HD3 LYS A 804 16.449 19.744 -20.226 1.00 25.34 H new ATOM 0 HE2 LYS A 804 14.687 19.406 -21.797 1.00 20.23 H new ATOM 0 HE3 LYS A 804 13.762 18.410 -20.691 1.00 20.23 H new ATOM 0 HZ1 LYS A 804 13.030 20.809 -21.036 1.00 34.51 H new ATOM 0 HZ2 LYS A 804 13.122 20.246 -19.437 1.00 34.51 H new ATOM 0 HZ3 LYS A 804 14.350 21.240 -20.058 1.00 34.51 H new ATOM 379 N GLU A 805 16.548 18.369 -16.191 1.00 54.23 N ATOM 380 CA GLU A 805 16.271 19.425 -15.232 1.00 41.33 C ATOM 381 C GLU A 805 15.010 20.192 -15.636 1.00 45.53 C ATOM 382 O GLU A 805 14.838 20.539 -16.804 1.00 0.33 O ATOM 383 CB GLU A 805 17.467 20.369 -15.096 1.00 44.32 C ATOM 384 CG GLU A 805 18.423 19.890 -14.002 1.00 34.35 C ATOM 385 CD GLU A 805 19.845 20.393 -14.256 1.00 11.12 C ATOM 386 OE1 GLU A 805 20.467 20.975 -13.355 1.00 22.55 O ATOM 387 OE2 GLU A 805 20.302 20.160 -15.439 1.00 41.44 O ATOM 0 H GLU A 805 17.536 18.236 -16.406 1.00 54.23 H new ATOM 0 HA GLU A 805 16.098 18.968 -14.258 1.00 41.33 H new ATOM 0 HB2 GLU A 805 17.997 20.429 -16.046 1.00 44.32 H new ATOM 0 HB3 GLU A 805 17.116 21.374 -14.863 1.00 44.32 H new ATOM 0 HG2 GLU A 805 18.076 20.244 -13.031 1.00 34.35 H new ATOM 0 HG3 GLU A 805 18.420 18.801 -13.964 1.00 34.35 H new ATOM 395 N GLY A 806 14.162 20.435 -14.648 1.00 72.12 N ATOM 396 CA GLY A 806 12.922 21.155 -14.886 1.00 61.31 C ATOM 397 C GLY A 806 11.780 20.188 -15.208 1.00 2.51 C ATOM 398 O GLY A 806 10.623 20.596 -15.294 1.00 11.30 O ATOM 0 H GLY A 806 14.309 20.146 -13.681 1.00 72.12 H new ATOM 0 HA2 GLY A 806 12.666 21.746 -14.007 1.00 61.31 H new ATOM 0 HA3 GLY A 806 13.056 21.854 -15.712 1.00 61.31 H new ATOM 402 N ASP A 807 12.146 18.926 -15.377 1.00 54.30 N ATOM 403 CA ASP A 807 11.166 17.899 -15.688 1.00 22.25 C ATOM 404 C ASP A 807 10.815 17.132 -14.411 1.00 4.23 C ATOM 405 O ASP A 807 11.578 17.145 -13.446 1.00 31.24 O ATOM 406 CB ASP A 807 11.721 16.898 -16.703 1.00 22.34 C ATOM 407 CG ASP A 807 12.019 17.478 -18.087 1.00 32.23 C ATOM 408 OD1 ASP A 807 11.736 16.849 -19.117 1.00 61.32 O ATOM 409 OD2 ASP A 807 12.573 18.643 -18.082 1.00 35.01 O ATOM 0 H ASP A 807 13.107 18.591 -15.305 1.00 54.30 H new ATOM 0 HA ASP A 807 10.286 18.388 -16.107 1.00 22.25 H new ATOM 0 HB2 ASP A 807 12.638 16.467 -16.301 1.00 22.34 H new ATOM 0 HB3 ASP A 807 11.007 16.082 -16.814 1.00 22.34 H new ATOM 415 N ILE A 808 9.661 16.483 -14.447 1.00 21.13 N ATOM 416 CA ILE A 808 9.200 15.712 -13.304 1.00 50.34 C ATOM 417 C ILE A 808 9.256 14.222 -13.644 1.00 63.52 C ATOM 418 O ILE A 808 8.891 13.818 -14.747 1.00 42.45 O ATOM 419 CB ILE A 808 7.816 16.190 -12.859 1.00 62.34 C ATOM 420 CG1 ILE A 808 7.017 16.735 -14.045 1.00 0.44 C ATOM 421 CG2 ILE A 808 7.927 17.210 -11.724 1.00 70.34 C ATOM 422 CD1 ILE A 808 7.517 18.124 -14.450 1.00 35.40 C ATOM 0 H ILE A 808 9.031 16.475 -15.249 1.00 21.13 H new ATOM 0 HA ILE A 808 9.857 15.869 -12.448 1.00 50.34 H new ATOM 0 HB ILE A 808 7.267 15.333 -12.468 1.00 62.34 H new ATOM 0 HG12 ILE A 808 7.103 16.053 -14.891 1.00 0.44 H new ATOM 0 HG13 ILE A 808 5.960 16.787 -13.783 1.00 0.44 H new ATOM 0 HG21 ILE A 808 6.929 17.533 -11.427 1.00 70.34 H new ATOM 0 HG22 ILE A 808 8.429 16.753 -10.872 1.00 70.34 H new ATOM 0 HG23 ILE A 808 8.501 18.072 -12.064 1.00 70.34 H new ATOM 0 HD11 ILE A 808 6.933 18.489 -15.295 1.00 35.40 H new ATOM 0 HD12 ILE A 808 7.407 18.810 -13.610 1.00 35.40 H new ATOM 0 HD13 ILE A 808 8.568 18.064 -14.734 1.00 35.40 H new ATOM 434 N ILE A 809 9.717 13.444 -12.676 1.00 33.53 N ATOM 435 CA ILE A 809 9.826 12.006 -12.858 1.00 54.13 C ATOM 436 C ILE A 809 8.735 11.309 -12.042 1.00 63.33 C ATOM 437 O ILE A 809 8.740 11.370 -10.814 1.00 32.52 O ATOM 438 CB ILE A 809 11.241 11.530 -12.527 1.00 63.41 C ATOM 439 CG1 ILE A 809 12.174 11.707 -13.727 1.00 3.43 C ATOM 440 CG2 ILE A 809 11.229 10.086 -12.019 1.00 43.42 C ATOM 441 CD1 ILE A 809 12.773 13.115 -13.751 1.00 45.03 C ATOM 0 H ILE A 809 10.020 13.782 -11.762 1.00 33.53 H new ATOM 0 HA ILE A 809 9.662 11.740 -13.902 1.00 54.13 H new ATOM 0 HB ILE A 809 11.631 12.152 -11.721 1.00 63.41 H new ATOM 0 HG12 ILE A 809 12.974 10.968 -13.683 1.00 3.43 H new ATOM 0 HG13 ILE A 809 11.624 11.526 -14.650 1.00 3.43 H new ATOM 0 HG21 ILE A 809 12.248 9.772 -11.791 1.00 43.42 H new ATOM 0 HG22 ILE A 809 10.619 10.022 -11.118 1.00 43.42 H new ATOM 0 HG23 ILE A 809 10.812 9.434 -12.786 1.00 43.42 H new ATOM 0 HD11 ILE A 809 13.432 13.215 -14.613 1.00 45.03 H new ATOM 0 HD12 ILE A 809 11.971 13.850 -13.820 1.00 45.03 H new ATOM 0 HD13 ILE A 809 13.343 13.284 -12.837 1.00 45.03 H new ATOM 453 N LYS A 810 7.827 10.662 -12.758 1.00 43.04 N ATOM 454 CA LYS A 810 6.733 9.954 -12.116 1.00 62.21 C ATOM 455 C LYS A 810 7.288 8.746 -11.359 1.00 61.40 C ATOM 456 O LYS A 810 7.796 7.806 -11.969 1.00 44.21 O ATOM 457 CB LYS A 810 5.653 9.596 -13.139 1.00 21.41 C ATOM 458 CG LYS A 810 4.651 8.599 -12.552 1.00 64.12 C ATOM 459 CD LYS A 810 4.213 9.024 -11.149 1.00 61.41 C ATOM 460 CE LYS A 810 2.786 8.556 -10.855 1.00 64.33 C ATOM 461 NZ LYS A 810 1.808 9.587 -11.266 1.00 12.54 N ATOM 0 H LYS A 810 7.827 10.613 -13.777 1.00 43.04 H new ATOM 0 HA LYS A 810 6.244 10.594 -11.381 1.00 62.21 H new ATOM 0 HB2 LYS A 810 5.131 10.500 -13.453 1.00 21.41 H new ATOM 0 HB3 LYS A 810 6.117 9.170 -14.029 1.00 21.41 H new ATOM 0 HG2 LYS A 810 3.780 8.528 -13.203 1.00 64.12 H new ATOM 0 HG3 LYS A 810 5.101 7.607 -12.512 1.00 64.12 H new ATOM 0 HD2 LYS A 810 4.896 8.607 -10.409 1.00 61.41 H new ATOM 0 HD3 LYS A 810 4.270 10.109 -11.059 1.00 61.41 H new ATOM 0 HE2 LYS A 810 2.586 7.625 -11.385 1.00 64.33 H new ATOM 0 HE3 LYS A 810 2.677 8.347 -9.791 1.00 64.33 H new ATOM 0 HZ1 LYS A 810 0.845 9.254 -11.060 1.00 12.54 H new ATOM 0 HZ2 LYS A 810 1.990 10.467 -10.742 1.00 12.54 H new ATOM 0 HZ3 LYS A 810 1.901 9.767 -12.286 1.00 12.54 H new ATOM 474 N ILE A 811 7.172 8.809 -10.041 1.00 11.22 N ATOM 475 CA ILE A 811 7.656 7.732 -9.194 1.00 14.00 C ATOM 476 C ILE A 811 6.669 6.564 -9.248 1.00 14.21 C ATOM 477 O ILE A 811 5.559 6.660 -8.726 1.00 21.13 O ATOM 478 CB ILE A 811 7.926 8.244 -7.778 1.00 32.03 C ATOM 479 CG1 ILE A 811 8.722 9.550 -7.809 1.00 40.14 C ATOM 480 CG2 ILE A 811 8.615 7.173 -6.930 1.00 31.03 C ATOM 481 CD1 ILE A 811 10.216 9.277 -7.993 1.00 42.13 C ATOM 0 H ILE A 811 6.750 9.590 -9.538 1.00 11.22 H new ATOM 0 HA ILE A 811 8.612 7.359 -9.561 1.00 14.00 H new ATOM 0 HB ILE A 811 6.968 8.462 -7.306 1.00 32.03 H new ATOM 0 HG12 ILE A 811 8.361 10.181 -8.621 1.00 40.14 H new ATOM 0 HG13 ILE A 811 8.561 10.101 -6.882 1.00 40.14 H new ATOM 0 HG21 ILE A 811 8.796 7.563 -5.928 1.00 31.03 H new ATOM 0 HG22 ILE A 811 7.976 6.292 -6.867 1.00 31.03 H new ATOM 0 HG23 ILE A 811 9.565 6.900 -7.390 1.00 31.03 H new ATOM 0 HD11 ILE A 811 10.759 10.222 -8.012 1.00 42.13 H new ATOM 0 HD12 ILE A 811 10.579 8.666 -7.166 1.00 42.13 H new ATOM 0 HD13 ILE A 811 10.376 8.748 -8.932 1.00 42.13 H new ATOM 493 N LEU A 812 7.108 5.488 -9.884 1.00 42.53 N ATOM 494 CA LEU A 812 6.277 4.303 -10.013 1.00 43.42 C ATOM 495 C LEU A 812 6.704 3.270 -8.968 1.00 41.44 C ATOM 496 O LEU A 812 5.864 2.579 -8.395 1.00 61.41 O ATOM 497 CB LEU A 812 6.314 3.777 -11.449 1.00 62.03 C ATOM 498 CG LEU A 812 6.291 4.837 -12.553 1.00 25.51 C ATOM 499 CD1 LEU A 812 7.058 4.359 -13.788 1.00 22.34 C ATOM 500 CD2 LEU A 812 4.856 5.245 -12.892 1.00 24.42 C ATOM 0 H LEU A 812 8.029 5.412 -10.316 1.00 42.53 H new ATOM 0 HA LEU A 812 5.233 4.546 -9.814 1.00 43.42 H new ATOM 0 HB2 LEU A 812 7.214 3.174 -11.571 1.00 62.03 H new ATOM 0 HB3 LEU A 812 5.462 3.112 -11.593 1.00 62.03 H new ATOM 0 HG LEU A 812 6.800 5.727 -12.182 1.00 25.51 H new ATOM 0 HD11 LEU A 812 7.026 5.131 -14.557 1.00 22.34 H new ATOM 0 HD12 LEU A 812 8.095 4.159 -13.517 1.00 22.34 H new ATOM 0 HD13 LEU A 812 6.600 3.447 -14.170 1.00 22.34 H new ATOM 0 HD21 LEU A 812 4.868 5.999 -13.679 1.00 24.42 H new ATOM 0 HD22 LEU A 812 4.301 4.372 -13.235 1.00 24.42 H new ATOM 0 HD23 LEU A 812 4.375 5.655 -12.004 1.00 24.42 H new ATOM 512 N ASN A 813 8.009 3.199 -8.753 1.00 24.25 N ATOM 513 CA ASN A 813 8.558 2.262 -7.787 1.00 32.12 C ATOM 514 C ASN A 813 9.725 2.921 -7.050 1.00 25.13 C ATOM 515 O ASN A 813 10.524 3.634 -7.656 1.00 34.01 O ATOM 516 CB ASN A 813 9.085 1.003 -8.479 1.00 4.44 C ATOM 517 CG ASN A 813 8.896 -0.230 -7.593 1.00 13.41 C ATOM 518 OD1 ASN A 813 7.799 -0.562 -7.174 1.00 21.31 O ATOM 519 ND2 ASN A 813 10.022 -0.887 -7.332 1.00 41.21 N ATOM 0 H ASN A 813 8.702 3.775 -9.231 1.00 24.25 H new ATOM 0 HA ASN A 813 7.762 1.986 -7.095 1.00 32.12 H new ATOM 0 HB2 ASN A 813 8.564 0.859 -9.425 1.00 4.44 H new ATOM 0 HB3 ASN A 813 10.142 1.128 -8.713 1.00 4.44 H new ATOM 0 HD21 ASN A 813 10.001 -1.724 -6.749 1.00 41.21 H new ATOM 0 HD22 ASN A 813 10.907 -0.554 -7.715 1.00 41.21 H new ATOM 526 N LYS A 814 9.788 2.659 -5.753 1.00 22.25 N ATOM 527 CA LYS A 814 10.845 3.218 -4.926 1.00 71.44 C ATOM 528 C LYS A 814 11.568 2.085 -4.196 1.00 21.45 C ATOM 529 O LYS A 814 11.307 1.833 -3.020 1.00 42.30 O ATOM 530 CB LYS A 814 10.284 4.292 -3.993 1.00 13.02 C ATOM 531 CG LYS A 814 11.303 4.671 -2.917 1.00 25.31 C ATOM 532 CD LYS A 814 11.213 6.159 -2.575 1.00 53.31 C ATOM 533 CE LYS A 814 10.067 6.428 -1.598 1.00 12.53 C ATOM 534 NZ LYS A 814 10.501 6.170 -0.206 1.00 52.25 N ATOM 0 H LYS A 814 9.124 2.067 -5.254 1.00 22.25 H new ATOM 0 HA LYS A 814 11.587 3.723 -5.545 1.00 71.44 H new ATOM 0 HB2 LYS A 814 10.014 5.176 -4.571 1.00 13.02 H new ATOM 0 HB3 LYS A 814 9.371 3.928 -3.522 1.00 13.02 H new ATOM 0 HG2 LYS A 814 11.128 4.077 -2.020 1.00 25.31 H new ATOM 0 HG3 LYS A 814 12.309 4.434 -3.264 1.00 25.31 H new ATOM 0 HD2 LYS A 814 12.154 6.493 -2.138 1.00 53.31 H new ATOM 0 HD3 LYS A 814 11.062 6.737 -3.487 1.00 53.31 H new ATOM 0 HE2 LYS A 814 9.733 7.461 -1.696 1.00 12.53 H new ATOM 0 HE3 LYS A 814 9.216 5.793 -1.843 1.00 12.53 H new ATOM 0 HZ1 LYS A 814 9.826 5.527 0.255 1.00 52.25 H new ATOM 0 HZ2 LYS A 814 11.445 5.734 -0.212 1.00 52.25 H new ATOM 0 HZ3 LYS A 814 10.537 7.067 0.318 1.00 52.25 H new ATOM 547 N LYS A 815 12.463 1.431 -4.922 1.00 75.30 N ATOM 548 CA LYS A 815 13.225 0.330 -4.357 1.00 42.35 C ATOM 549 C LYS A 815 13.689 0.707 -2.949 1.00 20.31 C ATOM 550 O LYS A 815 13.861 -0.162 -2.095 1.00 71.13 O ATOM 551 CB LYS A 815 14.367 -0.067 -5.295 1.00 50.03 C ATOM 552 CG LYS A 815 13.863 -0.977 -6.418 1.00 3.14 C ATOM 553 CD LYS A 815 14.952 -1.957 -6.859 1.00 31.34 C ATOM 554 CE LYS A 815 15.102 -3.100 -5.852 1.00 14.52 C ATOM 555 NZ LYS A 815 14.221 -4.232 -6.218 1.00 4.33 N ATOM 0 H LYS A 815 12.678 1.642 -5.897 1.00 75.30 H new ATOM 0 HA LYS A 815 12.599 -0.557 -4.260 1.00 42.35 H new ATOM 0 HB2 LYS A 815 14.819 0.828 -5.723 1.00 50.03 H new ATOM 0 HB3 LYS A 815 15.146 -0.578 -4.729 1.00 50.03 H new ATOM 0 HG2 LYS A 815 12.987 -1.530 -6.078 1.00 3.14 H new ATOM 0 HG3 LYS A 815 13.548 -0.372 -7.268 1.00 3.14 H new ATOM 0 HD2 LYS A 815 14.706 -2.362 -7.840 1.00 31.34 H new ATOM 0 HD3 LYS A 815 15.901 -1.430 -6.961 1.00 31.34 H new ATOM 0 HE2 LYS A 815 16.139 -3.433 -5.823 1.00 14.52 H new ATOM 0 HE3 LYS A 815 14.853 -2.746 -4.852 1.00 14.52 H new ATOM 0 HZ1 LYS A 815 14.335 -4.999 -5.525 1.00 4.33 H new ATOM 0 HZ2 LYS A 815 13.231 -3.914 -6.223 1.00 4.33 H new ATOM 0 HZ3 LYS A 815 14.477 -4.580 -7.164 1.00 4.33 H new ATOM 568 N GLY A 816 13.878 2.003 -2.749 1.00 64.34 N ATOM 569 CA GLY A 816 14.319 2.505 -1.459 1.00 31.31 C ATOM 570 C GLY A 816 15.145 3.783 -1.621 1.00 34.34 C ATOM 571 O GLY A 816 15.678 4.049 -2.696 1.00 41.43 O ATOM 0 H GLY A 816 13.734 2.721 -3.459 1.00 64.34 H new ATOM 0 HA2 GLY A 816 13.453 2.705 -0.827 1.00 31.31 H new ATOM 0 HA3 GLY A 816 14.914 1.745 -0.953 1.00 31.31 H new ATOM 575 N GLN A 817 15.224 4.539 -0.536 1.00 31.04 N ATOM 576 CA GLN A 817 15.976 5.783 -0.544 1.00 34.55 C ATOM 577 C GLN A 817 17.449 5.510 -0.851 1.00 4.00 C ATOM 578 O GLN A 817 18.200 6.430 -1.172 1.00 64.44 O ATOM 579 CB GLN A 817 15.821 6.525 0.785 1.00 11.11 C ATOM 580 CG GLN A 817 14.429 7.148 0.906 1.00 11.51 C ATOM 581 CD GLN A 817 13.439 6.163 1.530 1.00 70.42 C ATOM 582 OE1 GLN A 817 13.150 5.108 0.989 1.00 30.43 O ATOM 583 NE2 GLN A 817 12.937 6.563 2.694 1.00 2.54 N ATOM 0 H GLN A 817 14.780 4.315 0.354 1.00 31.04 H new ATOM 0 HA GLN A 817 15.574 6.423 -1.329 1.00 34.55 H new ATOM 0 HB2 GLN A 817 15.988 5.835 1.612 1.00 11.11 H new ATOM 0 HB3 GLN A 817 16.580 7.304 0.861 1.00 11.11 H new ATOM 0 HG2 GLN A 817 14.482 8.050 1.515 1.00 11.51 H new ATOM 0 HG3 GLN A 817 14.075 7.449 -0.080 1.00 11.51 H new ATOM 0 HE21 GLN A 817 13.222 7.458 3.091 1.00 2.54 H new ATOM 0 HE22 GLN A 817 12.267 5.975 3.190 1.00 2.54 H new ATOM 592 N GLN A 818 17.819 4.242 -0.741 1.00 42.55 N ATOM 593 CA GLN A 818 19.190 3.837 -1.004 1.00 13.42 C ATOM 594 C GLN A 818 19.260 2.998 -2.281 1.00 50.22 C ATOM 595 O GLN A 818 19.146 1.775 -2.231 1.00 75.43 O ATOM 596 CB GLN A 818 19.773 3.074 0.187 1.00 61.34 C ATOM 597 CG GLN A 818 20.248 4.037 1.277 1.00 74.23 C ATOM 598 CD GLN A 818 19.073 4.825 1.861 1.00 24.42 C ATOM 599 OE1 GLN A 818 18.812 5.960 1.498 1.00 31.33 O ATOM 600 NE2 GLN A 818 18.383 4.161 2.784 1.00 13.10 N ATOM 0 H GLN A 818 17.194 3.482 -0.473 1.00 42.55 H new ATOM 0 HA GLN A 818 19.792 4.734 -1.149 1.00 13.42 H new ATOM 0 HB2 GLN A 818 19.020 2.400 0.595 1.00 61.34 H new ATOM 0 HB3 GLN A 818 20.607 2.456 -0.146 1.00 61.34 H new ATOM 0 HG2 GLN A 818 20.746 3.478 2.070 1.00 74.23 H new ATOM 0 HG3 GLN A 818 20.983 4.727 0.863 1.00 74.23 H new ATOM 0 HE21 GLN A 818 18.656 3.212 3.041 1.00 13.10 H new ATOM 0 HE22 GLN A 818 17.581 4.600 3.235 1.00 13.10 H new ATOM 609 N GLY A 819 19.448 3.690 -3.396 1.00 31.43 N ATOM 610 CA GLY A 819 19.535 3.023 -4.684 1.00 53.21 C ATOM 611 C GLY A 819 19.009 3.924 -5.804 1.00 31.23 C ATOM 612 O GLY A 819 19.565 4.990 -6.060 1.00 45.25 O ATOM 0 H GLY A 819 19.542 4.705 -3.434 1.00 31.43 H new ATOM 0 HA2 GLY A 819 20.571 2.751 -4.887 1.00 53.21 H new ATOM 0 HA3 GLY A 819 18.961 2.097 -4.658 1.00 53.21 H new ATOM 616 N TRP A 820 17.943 3.461 -6.440 1.00 52.41 N ATOM 617 CA TRP A 820 17.336 4.212 -7.526 1.00 73.33 C ATOM 618 C TRP A 820 15.818 4.045 -7.425 1.00 41.53 C ATOM 619 O TRP A 820 15.329 3.244 -6.631 1.00 23.41 O ATOM 620 CB TRP A 820 17.897 3.769 -8.879 1.00 52.30 C ATOM 621 CG TRP A 820 17.725 2.276 -9.166 1.00 11.31 C ATOM 622 CD1 TRP A 820 17.027 1.376 -8.461 1.00 32.34 C ATOM 623 CD2 TRP A 820 18.293 1.542 -10.271 1.00 54.21 C ATOM 624 NE1 TRP A 820 17.103 0.120 -9.028 1.00 32.10 N ATOM 625 CE2 TRP A 820 17.897 0.225 -10.164 1.00 71.51 C ATOM 626 CE3 TRP A 820 19.113 1.977 -11.327 1.00 2.24 C ATOM 627 CZ2 TRP A 820 18.273 -0.766 -11.079 1.00 43.23 C ATOM 628 CZ3 TRP A 820 19.481 0.975 -12.233 1.00 12.31 C ATOM 629 CH2 TRP A 820 19.091 -0.356 -12.139 1.00 50.50 C ATOM 0 H TRP A 820 17.484 2.576 -6.224 1.00 52.41 H new ATOM 0 HA TRP A 820 17.576 5.272 -7.444 1.00 73.33 H new ATOM 0 HB2 TRP A 820 17.407 4.339 -9.668 1.00 52.30 H new ATOM 0 HB3 TRP A 820 18.958 4.016 -8.919 1.00 52.30 H new ATOM 0 HD1 TRP A 820 16.474 1.605 -7.562 1.00 32.34 H new ATOM 0 HE1 TRP A 820 16.659 -0.729 -8.678 1.00 32.10 H new ATOM 0 HE3 TRP A 820 19.434 3.003 -11.431 1.00 2.24 H new ATOM 0 HZ2 TRP A 820 17.950 -1.791 -10.973 1.00 43.23 H new ATOM 0 HZ3 TRP A 820 20.112 1.256 -13.063 1.00 12.31 H new ATOM 0 HH2 TRP A 820 19.417 -1.071 -12.880 1.00 50.50 H new ATOM 640 N TRP A 821 15.115 4.816 -8.242 1.00 12.32 N ATOM 641 CA TRP A 821 13.663 4.765 -8.254 1.00 72.54 C ATOM 642 C TRP A 821 13.213 4.469 -9.687 1.00 14.14 C ATOM 643 O TRP A 821 13.819 4.949 -10.643 1.00 62.32 O ATOM 644 CB TRP A 821 13.063 6.056 -7.694 1.00 22.43 C ATOM 645 CG TRP A 821 13.349 6.280 -6.208 1.00 4.54 C ATOM 646 CD1 TRP A 821 13.674 5.367 -5.282 1.00 75.14 C ATOM 647 CD2 TRP A 821 13.324 7.543 -5.509 1.00 30.25 C ATOM 648 NE1 TRP A 821 13.858 5.946 -4.043 1.00 60.41 N ATOM 649 CE2 TRP A 821 13.639 7.311 -4.185 1.00 72.12 C ATOM 650 CE3 TRP A 821 13.044 8.838 -5.979 1.00 63.10 C ATOM 651 CZ2 TRP A 821 13.704 8.326 -3.223 1.00 53.03 C ATOM 652 CZ3 TRP A 821 13.113 9.841 -5.005 1.00 43.52 C ATOM 653 CH2 TRP A 821 13.429 9.624 -3.669 1.00 53.30 C ATOM 0 H TRP A 821 15.524 5.479 -8.900 1.00 12.32 H new ATOM 0 HA TRP A 821 13.300 3.970 -7.603 1.00 72.54 H new ATOM 0 HB2 TRP A 821 13.453 6.902 -8.260 1.00 22.43 H new ATOM 0 HB3 TRP A 821 11.984 6.040 -7.848 1.00 22.43 H new ATOM 0 HD1 TRP A 821 13.779 4.311 -5.481 1.00 75.14 H new ATOM 0 HE1 TRP A 821 14.109 5.461 -3.181 1.00 60.41 H new ATOM 0 HE3 TRP A 821 12.795 9.043 -7.010 1.00 63.10 H new ATOM 0 HZ2 TRP A 821 13.953 8.119 -2.193 1.00 53.03 H new ATOM 0 HZ3 TRP A 821 12.906 10.855 -5.313 1.00 43.52 H new ATOM 0 HH2 TRP A 821 13.462 10.453 -2.978 1.00 53.30 H new ATOM 664 N ARG A 822 12.153 3.681 -9.789 1.00 55.00 N ATOM 665 CA ARG A 822 11.614 3.316 -11.088 1.00 61.03 C ATOM 666 C ARG A 822 10.461 4.248 -11.466 1.00 44.42 C ATOM 667 O ARG A 822 9.349 4.101 -10.963 1.00 74.12 O ATOM 668 CB ARG A 822 11.113 1.870 -11.090 1.00 43.35 C ATOM 669 CG ARG A 822 11.253 1.244 -12.479 1.00 74.24 C ATOM 670 CD ARG A 822 10.152 0.210 -12.728 1.00 2.15 C ATOM 671 NE ARG A 822 10.642 -0.839 -13.650 1.00 12.31 N ATOM 672 CZ ARG A 822 10.160 -2.099 -13.687 1.00 73.10 C ATOM 673 NH1 ARG A 822 9.169 -2.479 -12.852 1.00 2.30 N ATOM 674 NH2 ARG A 822 10.672 -2.955 -14.552 1.00 15.11 N ATOM 0 H ARG A 822 11.653 3.285 -8.993 1.00 55.00 H new ATOM 0 HA ARG A 822 12.417 3.412 -11.819 1.00 61.03 H new ATOM 0 HB2 ARG A 822 11.678 1.285 -10.365 1.00 43.35 H new ATOM 0 HB3 ARG A 822 10.069 1.843 -10.778 1.00 43.35 H new ATOM 0 HG2 ARG A 822 11.204 2.023 -13.240 1.00 74.24 H new ATOM 0 HG3 ARG A 822 12.230 0.770 -12.571 1.00 74.24 H new ATOM 0 HD2 ARG A 822 9.843 -0.239 -11.784 1.00 2.15 H new ATOM 0 HD3 ARG A 822 9.274 0.697 -13.152 1.00 2.15 H new ATOM 0 HE ARG A 822 11.391 -0.594 -14.298 1.00 12.31 H new ATOM 0 HH11 ARG A 822 8.779 -1.812 -12.187 1.00 2.30 H new ATOM 0 HH12 ARG A 822 8.811 -3.433 -12.887 1.00 2.30 H new ATOM 0 HH21 ARG A 822 11.420 -2.660 -15.179 1.00 15.11 H new ATOM 0 HH22 ARG A 822 10.319 -3.911 -14.593 1.00 15.11 H new ATOM 687 N GLY A 823 10.767 5.188 -12.349 1.00 64.31 N ATOM 688 CA GLY A 823 9.771 6.144 -12.800 1.00 73.02 C ATOM 689 C GLY A 823 9.676 6.158 -14.327 1.00 74.32 C ATOM 690 O GLY A 823 10.185 5.258 -14.993 1.00 25.54 O ATOM 0 H GLY A 823 11.691 5.307 -12.764 1.00 64.31 H new ATOM 0 HA2 GLY A 823 8.800 5.891 -12.374 1.00 73.02 H new ATOM 0 HA3 GLY A 823 10.028 7.140 -12.439 1.00 73.02 H new ATOM 694 N GLU A 824 9.019 7.189 -14.838 1.00 61.11 N ATOM 695 CA GLU A 824 8.851 7.332 -16.274 1.00 73.33 C ATOM 696 C GLU A 824 8.604 8.798 -16.637 1.00 22.43 C ATOM 697 O GLU A 824 8.189 9.588 -15.791 1.00 4.51 O ATOM 698 CB GLU A 824 7.715 6.442 -16.784 1.00 51.52 C ATOM 699 CG GLU A 824 7.185 6.947 -18.128 1.00 35.12 C ATOM 700 CD GLU A 824 6.051 6.055 -18.640 1.00 4.24 C ATOM 701 OE1 GLU A 824 4.912 6.166 -18.163 1.00 51.01 O ATOM 702 OE2 GLU A 824 6.388 5.224 -19.567 1.00 50.42 O ATOM 0 H GLU A 824 8.597 7.933 -14.283 1.00 61.11 H new ATOM 0 HA GLU A 824 9.770 7.008 -16.762 1.00 73.33 H new ATOM 0 HB2 GLU A 824 8.071 5.417 -16.891 1.00 51.52 H new ATOM 0 HB3 GLU A 824 6.906 6.424 -16.053 1.00 51.52 H new ATOM 0 HG2 GLU A 824 6.827 7.971 -18.020 1.00 35.12 H new ATOM 0 HG3 GLU A 824 7.994 6.967 -18.858 1.00 35.12 H new ATOM 710 N ILE A 825 8.870 9.116 -17.895 1.00 60.41 N ATOM 711 CA ILE A 825 8.682 10.473 -18.380 1.00 23.43 C ATOM 712 C ILE A 825 8.284 10.432 -19.856 1.00 62.55 C ATOM 713 O ILE A 825 8.955 9.793 -20.666 1.00 51.54 O ATOM 714 CB ILE A 825 9.927 11.318 -18.102 1.00 32.15 C ATOM 715 CG1 ILE A 825 9.950 11.799 -16.649 1.00 75.12 C ATOM 716 CG2 ILE A 825 10.033 12.479 -19.092 1.00 3.42 C ATOM 717 CD1 ILE A 825 10.934 12.956 -16.470 1.00 42.23 C ATOM 0 H ILE A 825 9.214 8.457 -18.594 1.00 60.41 H new ATOM 0 HA ILE A 825 7.868 10.960 -17.844 1.00 23.43 H new ATOM 0 HB ILE A 825 10.806 10.690 -18.247 1.00 32.15 H new ATOM 0 HG12 ILE A 825 8.951 12.117 -16.352 1.00 75.12 H new ATOM 0 HG13 ILE A 825 10.230 10.974 -15.994 1.00 75.12 H new ATOM 0 HG21 ILE A 825 10.926 13.064 -18.873 1.00 3.42 H new ATOM 0 HG22 ILE A 825 10.096 12.087 -20.107 1.00 3.42 H new ATOM 0 HG23 ILE A 825 9.152 13.115 -19.003 1.00 3.42 H new ATOM 0 HD11 ILE A 825 10.931 13.279 -15.429 1.00 42.23 H new ATOM 0 HD12 ILE A 825 11.936 12.627 -16.745 1.00 42.23 H new ATOM 0 HD13 ILE A 825 10.637 13.788 -17.109 1.00 42.23 H new ATOM 729 N TYR A 826 7.194 11.120 -20.162 1.00 5.50 N ATOM 730 CA TYR A 826 6.699 11.171 -21.527 1.00 61.20 C ATOM 731 C TYR A 826 6.430 9.764 -22.065 1.00 31.11 C ATOM 732 O TYR A 826 6.420 9.550 -23.276 1.00 65.21 O ATOM 733 CB TYR A 826 7.811 11.816 -22.356 1.00 3.53 C ATOM 734 CG TYR A 826 7.711 13.340 -22.451 1.00 44.23 C ATOM 735 CD1 TYR A 826 7.011 14.047 -21.495 1.00 53.22 C ATOM 736 CD2 TYR A 826 8.322 14.008 -23.494 1.00 32.34 C ATOM 737 CE1 TYR A 826 6.917 15.481 -21.585 1.00 54.32 C ATOM 738 CE2 TYR A 826 8.228 15.442 -23.584 1.00 32.25 C ATOM 739 CZ TYR A 826 7.530 16.108 -22.625 1.00 31.21 C ATOM 740 OH TYR A 826 7.441 17.462 -22.710 1.00 0.22 O ATOM 0 H TYR A 826 6.639 11.647 -19.487 1.00 5.50 H new ATOM 0 HA TYR A 826 5.764 11.730 -21.575 1.00 61.20 H new ATOM 0 HB2 TYR A 826 8.775 11.552 -21.921 1.00 3.53 H new ATOM 0 HB3 TYR A 826 7.790 11.397 -23.362 1.00 3.53 H new ATOM 0 HD1 TYR A 826 6.534 13.525 -20.679 1.00 53.22 H new ATOM 0 HD2 TYR A 826 8.870 13.455 -24.242 1.00 32.34 H new ATOM 0 HE1 TYR A 826 6.372 16.046 -20.843 1.00 54.32 H new ATOM 0 HE2 TYR A 826 8.701 15.977 -24.394 1.00 32.25 H new ATOM 0 HH TYR A 826 7.927 17.773 -23.502 1.00 0.22 H new ATOM 750 N GLY A 827 6.218 8.841 -21.138 1.00 54.20 N ATOM 751 CA GLY A 827 5.949 7.461 -21.504 1.00 30.12 C ATOM 752 C GLY A 827 7.250 6.666 -21.639 1.00 54.41 C ATOM 753 O GLY A 827 7.256 5.570 -22.197 1.00 3.11 O ATOM 0 H GLY A 827 6.227 9.022 -20.134 1.00 54.20 H new ATOM 0 HA2 GLY A 827 5.313 6.998 -20.750 1.00 30.12 H new ATOM 0 HA3 GLY A 827 5.401 7.431 -22.446 1.00 30.12 H new ATOM 757 N ARG A 828 8.319 7.251 -21.119 1.00 61.53 N ATOM 758 CA ARG A 828 9.623 6.611 -21.175 1.00 74.20 C ATOM 759 C ARG A 828 10.002 6.057 -19.800 1.00 14.41 C ATOM 760 O ARG A 828 10.203 6.818 -18.855 1.00 5.23 O ATOM 761 CB ARG A 828 10.700 7.595 -21.636 1.00 32.15 C ATOM 762 CG ARG A 828 10.463 8.029 -23.084 1.00 22.43 C ATOM 763 CD ARG A 828 9.634 9.313 -23.143 1.00 34.12 C ATOM 764 NE ARG A 828 9.532 9.786 -24.542 1.00 32.44 N ATOM 765 CZ ARG A 828 10.518 10.437 -25.194 1.00 13.41 C ATOM 766 NH1 ARG A 828 11.690 10.700 -24.578 1.00 31.11 N ATOM 767 NH2 ARG A 828 10.318 10.814 -26.443 1.00 42.51 N ATOM 0 H ARG A 828 8.309 8.160 -20.657 1.00 61.53 H new ATOM 0 HA ARG A 828 9.561 5.795 -21.895 1.00 74.20 H new ATOM 0 HB2 ARG A 828 10.700 8.470 -20.986 1.00 32.15 H new ATOM 0 HB3 ARG A 828 11.683 7.132 -21.548 1.00 32.15 H new ATOM 0 HG2 ARG A 828 11.420 8.187 -23.581 1.00 22.43 H new ATOM 0 HG3 ARG A 828 9.949 7.235 -23.626 1.00 22.43 H new ATOM 0 HD2 ARG A 828 8.638 9.132 -22.738 1.00 34.12 H new ATOM 0 HD3 ARG A 828 10.095 10.082 -22.523 1.00 34.12 H new ATOM 0 HE ARG A 828 8.662 9.609 -25.044 1.00 32.44 H new ATOM 0 HH11 ARG A 828 11.836 10.406 -23.612 1.00 31.11 H new ATOM 0 HH12 ARG A 828 12.430 11.193 -25.078 1.00 31.11 H new ATOM 0 HH21 ARG A 828 9.429 10.612 -26.900 1.00 42.51 H new ATOM 0 HH22 ARG A 828 11.052 11.307 -26.951 1.00 42.51 H new ATOM 780 N ILE A 829 10.087 4.737 -19.732 1.00 33.03 N ATOM 781 CA ILE A 829 10.438 4.073 -18.488 1.00 32.20 C ATOM 782 C ILE A 829 11.961 3.972 -18.381 1.00 13.43 C ATOM 783 O ILE A 829 12.658 3.950 -19.394 1.00 32.21 O ATOM 784 CB ILE A 829 9.723 2.724 -18.381 1.00 4.15 C ATOM 785 CG1 ILE A 829 8.215 2.885 -18.583 1.00 23.32 C ATOM 786 CG2 ILE A 829 10.054 2.033 -17.056 1.00 72.32 C ATOM 787 CD1 ILE A 829 7.505 3.115 -17.248 1.00 14.14 C ATOM 0 H ILE A 829 9.919 4.109 -20.518 1.00 33.03 H new ATOM 0 HA ILE A 829 10.096 4.658 -17.634 1.00 32.20 H new ATOM 0 HB ILE A 829 10.087 2.079 -19.181 1.00 4.15 H new ATOM 0 HG12 ILE A 829 8.021 3.724 -19.251 1.00 23.32 H new ATOM 0 HG13 ILE A 829 7.812 1.994 -19.065 1.00 23.32 H new ATOM 0 HG21 ILE A 829 9.534 1.077 -17.004 1.00 72.32 H new ATOM 0 HG22 ILE A 829 11.129 1.865 -16.992 1.00 72.32 H new ATOM 0 HG23 ILE A 829 9.735 2.665 -16.227 1.00 72.32 H new ATOM 0 HD11 ILE A 829 6.434 3.226 -17.420 1.00 14.14 H new ATOM 0 HD12 ILE A 829 7.681 2.263 -16.591 1.00 14.14 H new ATOM 0 HD13 ILE A 829 7.893 4.020 -16.780 1.00 14.14 H new ATOM 799 N GLY A 830 12.432 3.915 -17.144 1.00 23.20 N ATOM 800 CA GLY A 830 13.860 3.817 -16.891 1.00 51.32 C ATOM 801 C GLY A 830 14.155 3.855 -15.390 1.00 51.43 C ATOM 802 O GLY A 830 13.236 3.927 -14.575 1.00 45.42 O ATOM 0 H GLY A 830 11.851 3.935 -16.306 1.00 23.20 H new ATOM 0 HA2 GLY A 830 14.246 2.891 -17.318 1.00 51.32 H new ATOM 0 HA3 GLY A 830 14.378 4.637 -17.388 1.00 51.32 H new ATOM 806 N TRP A 831 15.440 3.805 -15.071 1.00 13.23 N ATOM 807 CA TRP A 831 15.867 3.833 -13.682 1.00 61.12 C ATOM 808 C TRP A 831 16.734 5.077 -13.479 1.00 52.42 C ATOM 809 O TRP A 831 17.485 5.468 -14.372 1.00 32.42 O ATOM 810 CB TRP A 831 16.585 2.536 -13.304 1.00 1.14 C ATOM 811 CG TRP A 831 15.693 1.294 -13.353 1.00 65.25 C ATOM 812 CD1 TRP A 831 15.378 0.547 -14.420 1.00 64.34 C ATOM 813 CD2 TRP A 831 15.011 0.680 -12.240 1.00 14.22 C ATOM 814 NE1 TRP A 831 14.546 -0.499 -14.077 1.00 72.24 N ATOM 815 CE2 TRP A 831 14.315 -0.415 -12.709 1.00 62.42 C ATOM 816 CE3 TRP A 831 14.982 1.039 -10.881 1.00 12.13 C ATOM 817 CZ2 TRP A 831 13.540 -1.241 -11.887 1.00 21.45 C ATOM 818 CZ3 TRP A 831 14.202 0.203 -10.072 1.00 5.54 C ATOM 819 CH2 TRP A 831 13.496 -0.903 -10.529 1.00 23.02 C ATOM 0 H TRP A 831 16.199 3.745 -15.750 1.00 13.23 H new ATOM 0 HA TRP A 831 15.007 3.895 -13.015 1.00 61.12 H new ATOM 0 HB2 TRP A 831 17.430 2.391 -13.977 1.00 1.14 H new ATOM 0 HB3 TRP A 831 16.993 2.638 -12.298 1.00 1.14 H new ATOM 0 HD1 TRP A 831 15.731 0.739 -15.422 1.00 64.34 H new ATOM 0 HE1 TRP A 831 14.170 -1.204 -14.711 1.00 72.24 H new ATOM 0 HE3 TRP A 831 15.519 1.892 -10.492 1.00 12.13 H new ATOM 0 HZ2 TRP A 831 13.005 -2.093 -12.279 1.00 21.45 H new ATOM 0 HZ3 TRP A 831 14.145 0.434 -9.019 1.00 5.54 H new ATOM 0 HH2 TRP A 831 12.916 -1.499 -9.840 1.00 23.02 H new ATOM 830 N PHE A 832 16.601 5.666 -12.300 1.00 32.14 N ATOM 831 CA PHE A 832 17.362 6.858 -11.968 1.00 5.10 C ATOM 832 C PHE A 832 17.602 6.954 -10.460 1.00 13.02 C ATOM 833 O PHE A 832 16.804 6.454 -9.668 1.00 64.31 O ATOM 834 CB PHE A 832 16.530 8.060 -12.418 1.00 12.23 C ATOM 835 CG PHE A 832 15.199 8.208 -11.677 1.00 24.14 C ATOM 836 CD1 PHE A 832 14.135 7.440 -12.031 1.00 75.22 C ATOM 837 CD2 PHE A 832 15.082 9.107 -10.663 1.00 53.33 C ATOM 838 CE1 PHE A 832 12.900 7.577 -11.343 1.00 71.04 C ATOM 839 CE2 PHE A 832 13.847 9.245 -9.976 1.00 30.55 C ATOM 840 CZ PHE A 832 12.782 8.476 -10.330 1.00 41.41 C ATOM 0 H PHE A 832 15.977 5.340 -11.562 1.00 32.14 H new ATOM 0 HA PHE A 832 18.333 6.828 -12.462 1.00 5.10 H new ATOM 0 HB2 PHE A 832 17.116 8.968 -12.276 1.00 12.23 H new ATOM 0 HB3 PHE A 832 16.332 7.972 -13.486 1.00 12.23 H new ATOM 0 HD1 PHE A 832 14.229 6.726 -12.835 1.00 75.22 H new ATOM 0 HD2 PHE A 832 15.928 9.716 -10.380 1.00 53.33 H new ATOM 0 HE1 PHE A 832 12.055 6.967 -11.625 1.00 71.04 H new ATOM 0 HE2 PHE A 832 13.753 9.960 -9.172 1.00 30.55 H new ATOM 0 HZ PHE A 832 11.843 8.580 -9.806 1.00 41.41 H new ATOM 850 N PRO A 833 18.732 7.618 -10.098 1.00 65.53 N ATOM 851 CA PRO A 833 19.087 7.785 -8.699 1.00 52.42 C ATOM 852 C PRO A 833 18.209 8.848 -8.035 1.00 43.41 C ATOM 853 O PRO A 833 17.790 9.806 -8.684 1.00 33.25 O ATOM 854 CB PRO A 833 20.561 8.153 -8.708 1.00 45.53 C ATOM 855 CG PRO A 833 20.863 8.632 -10.119 1.00 61.12 C ATOM 856 CD PRO A 833 19.700 8.223 -11.008 1.00 41.25 C ATOM 0 HA PRO A 833 18.920 6.882 -8.112 1.00 52.42 H new ATOM 0 HB2 PRO A 833 20.773 8.933 -7.977 1.00 45.53 H new ATOM 0 HB3 PRO A 833 21.179 7.294 -8.446 1.00 45.53 H new ATOM 0 HG2 PRO A 833 20.994 9.714 -10.135 1.00 61.12 H new ATOM 0 HG3 PRO A 833 21.793 8.193 -10.481 1.00 61.12 H new ATOM 0 HD2 PRO A 833 19.274 9.084 -11.524 1.00 41.25 H new ATOM 0 HD3 PRO A 833 20.017 7.517 -11.775 1.00 41.25 H new ATOM 864 N SER A 834 17.958 8.644 -6.750 1.00 50.24 N ATOM 865 CA SER A 834 17.138 9.573 -5.991 1.00 42.23 C ATOM 866 C SER A 834 17.993 10.743 -5.498 1.00 75.23 C ATOM 867 O SER A 834 17.506 11.609 -4.773 1.00 42.21 O ATOM 868 CB SER A 834 16.463 8.874 -4.810 1.00 24.33 C ATOM 869 OG SER A 834 17.378 8.620 -3.747 1.00 31.24 O ATOM 0 H SER A 834 18.308 7.849 -6.215 1.00 50.24 H new ATOM 0 HA SER A 834 16.356 9.954 -6.647 1.00 42.23 H new ATOM 0 HB2 SER A 834 15.643 9.492 -4.443 1.00 24.33 H new ATOM 0 HB3 SER A 834 16.027 7.933 -5.146 1.00 24.33 H new ATOM 0 HG SER A 834 16.909 8.174 -3.011 1.00 31.24 H new ATOM 875 N ASN A 835 19.251 10.730 -5.912 1.00 23.14 N ATOM 876 CA ASN A 835 20.178 11.779 -5.521 1.00 70.31 C ATOM 877 C ASN A 835 20.242 12.834 -6.627 1.00 2.22 C ATOM 878 O ASN A 835 20.820 13.903 -6.437 1.00 11.44 O ATOM 879 CB ASN A 835 21.588 11.220 -5.318 1.00 52.40 C ATOM 880 CG ASN A 835 21.771 10.700 -3.891 1.00 62.10 C ATOM 881 OD1 ASN A 835 21.833 11.451 -2.932 1.00 15.14 O ATOM 882 ND2 ASN A 835 21.855 9.375 -3.805 1.00 41.40 N ATOM 0 H ASN A 835 19.651 10.010 -6.514 1.00 23.14 H new ATOM 0 HA ASN A 835 19.824 12.212 -4.585 1.00 70.31 H new ATOM 0 HB2 ASN A 835 21.769 10.414 -6.029 1.00 52.40 H new ATOM 0 HB3 ASN A 835 22.324 11.997 -5.523 1.00 52.40 H new ATOM 0 HD21 ASN A 835 21.979 8.930 -2.896 1.00 41.40 H new ATOM 0 HD22 ASN A 835 21.795 8.804 -4.648 1.00 41.40 H new ATOM 889 N TYR A 836 19.641 12.497 -7.758 1.00 52.22 N ATOM 890 CA TYR A 836 19.622 13.403 -8.895 1.00 24.44 C ATOM 891 C TYR A 836 18.216 13.957 -9.131 1.00 42.21 C ATOM 892 O TYR A 836 18.008 14.767 -10.033 1.00 1.30 O ATOM 893 CB TYR A 836 20.039 12.567 -10.107 1.00 35.44 C ATOM 894 CG TYR A 836 21.552 12.479 -10.312 1.00 40.10 C ATOM 895 CD1 TYR A 836 22.359 11.996 -9.302 1.00 12.43 C ATOM 896 CD2 TYR A 836 22.111 12.883 -11.508 1.00 33.21 C ATOM 897 CE1 TYR A 836 23.783 11.914 -9.495 1.00 44.01 C ATOM 898 CE2 TYR A 836 23.535 12.800 -11.701 1.00 42.43 C ATOM 899 CZ TYR A 836 24.301 12.320 -10.685 1.00 43.13 C ATOM 900 OH TYR A 836 25.647 12.242 -10.868 1.00 53.30 O ATOM 0 H TYR A 836 19.163 11.609 -7.912 1.00 52.22 H new ATOM 0 HA TYR A 836 20.287 14.250 -8.723 1.00 24.44 H new ATOM 0 HB2 TYR A 836 19.639 11.559 -9.995 1.00 35.44 H new ATOM 0 HB3 TYR A 836 19.586 12.993 -11.002 1.00 35.44 H new ATOM 0 HD1 TYR A 836 21.922 11.679 -8.367 1.00 12.43 H new ATOM 0 HD2 TYR A 836 21.480 13.261 -12.299 1.00 33.21 H new ATOM 0 HE1 TYR A 836 24.426 11.539 -8.712 1.00 44.01 H new ATOM 0 HE2 TYR A 836 23.985 13.112 -12.632 1.00 42.43 H new ATOM 0 HH TYR A 836 25.874 12.565 -11.765 1.00 53.30 H new ATOM 910 N VAL A 837 17.287 13.499 -8.305 1.00 62.41 N ATOM 911 CA VAL A 837 15.907 13.939 -8.413 1.00 34.20 C ATOM 912 C VAL A 837 15.436 14.465 -7.056 1.00 2.24 C ATOM 913 O VAL A 837 16.155 14.362 -6.063 1.00 0.32 O ATOM 914 CB VAL A 837 15.035 12.801 -8.948 1.00 31.34 C ATOM 915 CG1 VAL A 837 15.510 12.349 -10.330 1.00 52.32 C ATOM 916 CG2 VAL A 837 15.005 11.626 -7.968 1.00 11.25 C ATOM 0 H VAL A 837 17.463 12.827 -7.558 1.00 62.41 H new ATOM 0 HA VAL A 837 15.823 14.759 -9.127 1.00 34.20 H new ATOM 0 HB VAL A 837 14.018 13.179 -9.050 1.00 31.34 H new ATOM 0 HG11 VAL A 837 14.873 11.540 -10.687 1.00 52.32 H new ATOM 0 HG12 VAL A 837 15.456 13.187 -11.025 1.00 52.32 H new ATOM 0 HG13 VAL A 837 16.540 11.998 -10.264 1.00 52.32 H new ATOM 0 HG21 VAL A 837 14.378 10.831 -8.372 1.00 11.25 H new ATOM 0 HG22 VAL A 837 16.017 11.250 -7.819 1.00 11.25 H new ATOM 0 HG23 VAL A 837 14.598 11.959 -7.013 1.00 11.25 H new ATOM 926 N GLU A 838 14.232 15.018 -7.056 1.00 61.12 N ATOM 927 CA GLU A 838 13.657 15.561 -5.837 1.00 61.31 C ATOM 928 C GLU A 838 12.146 15.322 -5.811 1.00 22.44 C ATOM 929 O GLU A 838 11.433 15.729 -6.726 1.00 45.25 O ATOM 930 CB GLU A 838 13.979 17.050 -5.695 1.00 22.43 C ATOM 931 CG GLU A 838 15.485 17.298 -5.805 1.00 71.04 C ATOM 932 CD GLU A 838 16.223 16.744 -4.585 1.00 0.31 C ATOM 933 OE1 GLU A 838 15.714 16.836 -3.458 1.00 52.20 O ATOM 934 OE2 GLU A 838 17.366 16.202 -4.839 1.00 35.44 O ATOM 0 H GLU A 838 13.639 15.102 -7.881 1.00 61.12 H new ATOM 0 HA GLU A 838 14.102 15.044 -4.987 1.00 61.31 H new ATOM 0 HB2 GLU A 838 13.457 17.614 -6.468 1.00 22.43 H new ATOM 0 HB3 GLU A 838 13.616 17.414 -4.734 1.00 22.43 H new ATOM 0 HG2 GLU A 838 15.869 16.829 -6.711 1.00 71.04 H new ATOM 0 HG3 GLU A 838 15.675 18.367 -5.895 1.00 71.04 H new ATOM 942 N GLU A 839 11.702 14.662 -4.751 1.00 22.21 N ATOM 943 CA GLU A 839 10.289 14.364 -4.593 1.00 72.40 C ATOM 944 C GLU A 839 9.706 15.157 -3.422 1.00 4.51 C ATOM 945 O GLU A 839 10.448 15.748 -2.638 1.00 32.33 O ATOM 946 CB GLU A 839 10.063 12.862 -4.404 1.00 1.31 C ATOM 947 CG GLU A 839 11.121 12.261 -3.477 1.00 2.25 C ATOM 948 CD GLU A 839 11.125 12.967 -2.119 1.00 42.11 C ATOM 949 OE1 GLU A 839 12.080 13.691 -1.800 1.00 11.14 O ATOM 950 OE2 GLU A 839 10.089 12.743 -1.385 1.00 34.32 O ATOM 0 H GLU A 839 12.296 14.325 -3.993 1.00 22.21 H new ATOM 0 HA GLU A 839 9.771 14.665 -5.504 1.00 72.40 H new ATOM 0 HB2 GLU A 839 9.070 12.689 -3.989 1.00 1.31 H new ATOM 0 HB3 GLU A 839 10.095 12.361 -5.372 1.00 1.31 H new ATOM 0 HG2 GLU A 839 10.926 11.198 -3.338 1.00 2.25 H new ATOM 0 HG3 GLU A 839 12.105 12.347 -3.938 1.00 2.25 H new ATOM 958 N ASP A 840 8.384 15.146 -3.340 1.00 41.34 N ATOM 959 CA ASP A 840 7.694 15.858 -2.278 1.00 73.02 C ATOM 960 C ASP A 840 8.380 17.205 -2.043 1.00 54.34 C ATOM 961 O ASP A 840 8.640 17.583 -0.902 1.00 70.20 O ATOM 962 CB ASP A 840 7.739 15.070 -0.968 1.00 34.14 C ATOM 963 CG ASP A 840 6.985 15.712 0.199 1.00 22.21 C ATOM 964 OD1 ASP A 840 5.877 16.241 0.029 1.00 11.55 O ATOM 965 OD2 ASP A 840 7.590 15.653 1.337 1.00 31.40 O ATOM 0 H ASP A 840 7.772 14.655 -3.992 1.00 41.34 H new ATOM 0 HA ASP A 840 6.656 15.994 -2.582 1.00 73.02 H new ATOM 0 HB2 ASP A 840 7.327 14.077 -1.145 1.00 34.14 H new ATOM 0 HB3 ASP A 840 8.781 14.936 -0.678 1.00 34.14 H new ATOM 971 N TYR A 841 8.653 17.894 -3.142 1.00 74.40 N ATOM 972 CA TYR A 841 9.303 19.191 -3.070 1.00 62.11 C ATOM 973 C TYR A 841 8.279 20.324 -3.158 1.00 74.23 C ATOM 974 O TYR A 841 8.455 21.375 -2.544 1.00 23.42 O ATOM 975 CB TYR A 841 10.233 19.264 -4.283 1.00 54.32 C ATOM 976 CG TYR A 841 9.543 18.959 -5.615 1.00 24.35 C ATOM 977 CD1 TYR A 841 8.951 19.976 -6.335 1.00 1.44 C ATOM 978 CD2 TYR A 841 9.514 17.665 -6.095 1.00 52.54 C ATOM 979 CE1 TYR A 841 8.302 19.689 -7.588 1.00 24.24 C ATOM 980 CE2 TYR A 841 8.865 17.378 -7.348 1.00 61.14 C ATOM 981 CZ TYR A 841 8.291 18.404 -8.033 1.00 25.33 C ATOM 982 OH TYR A 841 7.679 18.132 -9.216 1.00 52.11 O ATOM 0 H TYR A 841 8.436 17.578 -4.087 1.00 74.40 H new ATOM 0 HA TYR A 841 9.837 19.301 -2.126 1.00 62.11 H new ATOM 0 HB2 TYR A 841 10.671 20.261 -4.332 1.00 54.32 H new ATOM 0 HB3 TYR A 841 11.054 18.561 -4.141 1.00 54.32 H new ATOM 0 HD1 TYR A 841 8.974 20.988 -5.959 1.00 1.44 H new ATOM 0 HD2 TYR A 841 9.978 16.869 -5.531 1.00 52.54 H new ATOM 0 HE1 TYR A 841 7.835 20.476 -8.161 1.00 24.24 H new ATOM 0 HE2 TYR A 841 8.835 16.370 -7.736 1.00 61.14 H new ATOM 0 HH TYR A 841 7.627 18.950 -9.753 1.00 52.11 H new ATOM 992 N SER A 842 7.230 20.072 -3.928 1.00 32.45 N ATOM 993 CA SER A 842 6.177 21.057 -4.104 1.00 12.20 C ATOM 994 C SER A 842 4.877 20.366 -4.521 1.00 22.41 C ATOM 995 O SER A 842 4.906 19.294 -5.125 1.00 11.34 O ATOM 996 CB SER A 842 6.575 22.109 -5.142 1.00 30.34 C ATOM 997 OG SER A 842 6.798 21.533 -6.426 1.00 42.41 O ATOM 0 H SER A 842 7.087 19.200 -4.437 1.00 32.45 H new ATOM 0 HA SER A 842 6.022 21.565 -3.152 1.00 12.20 H new ATOM 0 HB2 SER A 842 5.791 22.863 -5.214 1.00 30.34 H new ATOM 0 HB3 SER A 842 7.479 22.620 -4.812 1.00 30.34 H new ATOM 0 HG SER A 842 7.304 20.700 -6.327 1.00 42.41 H new ATOM 1003 N GLU A 843 3.768 21.007 -4.182 1.00 63.33 N ATOM 1004 CA GLU A 843 2.461 20.467 -4.514 1.00 33.32 C ATOM 1005 C GLU A 843 1.378 21.525 -4.294 1.00 10.03 C ATOM 1006 O GLU A 843 1.500 22.368 -3.407 1.00 5.33 O ATOM 1007 CB GLU A 843 2.167 19.204 -3.701 1.00 53.21 C ATOM 1008 CG GLU A 843 0.686 18.828 -3.789 1.00 2.12 C ATOM 1009 CD GLU A 843 0.454 17.398 -3.297 1.00 71.00 C ATOM 1010 OE1 GLU A 843 -0.105 17.200 -2.208 1.00 30.01 O ATOM 1011 OE2 GLU A 843 0.876 16.473 -4.091 1.00 50.00 O ATOM 0 H GLU A 843 3.748 21.895 -3.681 1.00 63.33 H new ATOM 0 HA GLU A 843 2.461 20.189 -5.568 1.00 33.32 H new ATOM 0 HB2 GLU A 843 2.778 18.380 -4.069 1.00 53.21 H new ATOM 0 HB3 GLU A 843 2.444 19.365 -2.659 1.00 53.21 H new ATOM 0 HG2 GLU A 843 0.095 19.522 -3.192 1.00 2.12 H new ATOM 0 HG3 GLU A 843 0.344 18.922 -4.820 1.00 2.12 H new ATOM 1019 N TYR A 844 0.342 21.446 -5.116 1.00 44.13 N ATOM 1020 CA TYR A 844 -0.761 22.387 -5.023 1.00 32.24 C ATOM 1021 C TYR A 844 -0.276 23.823 -5.226 1.00 41.54 C ATOM 1022 O TYR A 844 -0.531 24.693 -4.394 1.00 72.44 O ATOM 1023 CB TYR A 844 -1.317 22.245 -3.604 1.00 43.21 C ATOM 1024 CG TYR A 844 -2.797 22.608 -3.477 1.00 35.03 C ATOM 1025 CD1 TYR A 844 -3.425 23.310 -4.485 1.00 52.52 C ATOM 1026 CD2 TYR A 844 -3.506 22.233 -2.353 1.00 63.30 C ATOM 1027 CE1 TYR A 844 -4.819 23.652 -4.365 1.00 61.12 C ATOM 1028 CE2 TYR A 844 -4.899 22.574 -2.233 1.00 55.20 C ATOM 1029 CZ TYR A 844 -5.487 23.267 -3.245 1.00 73.01 C ATOM 1030 OH TYR A 844 -6.804 23.589 -3.132 1.00 4.53 O ATOM 0 H TYR A 844 0.243 20.744 -5.850 1.00 44.13 H new ATOM 0 HA TYR A 844 -1.508 22.179 -5.789 1.00 32.24 H new ATOM 0 HB2 TYR A 844 -1.176 21.217 -3.271 1.00 43.21 H new ATOM 0 HB3 TYR A 844 -0.739 22.880 -2.933 1.00 43.21 H new ATOM 0 HD1 TYR A 844 -2.871 23.603 -5.365 1.00 52.52 H new ATOM 0 HD2 TYR A 844 -3.015 21.684 -1.564 1.00 63.30 H new ATOM 0 HE1 TYR A 844 -5.322 24.202 -5.147 1.00 61.12 H new ATOM 0 HE2 TYR A 844 -5.465 22.286 -1.359 1.00 55.20 H new ATOM 0 HH TYR A 844 -7.152 23.249 -2.281 1.00 4.53 H new ATOM 1040 N LEU A 845 0.415 24.029 -6.338 1.00 24.41 N ATOM 1041 CA LEU A 845 0.939 25.345 -6.662 1.00 33.14 C ATOM 1042 C LEU A 845 -0.222 26.333 -6.791 1.00 13.05 C ATOM 1043 O LEU A 845 -1.353 25.935 -7.069 1.00 5.53 O ATOM 1044 CB LEU A 845 1.829 25.277 -7.904 1.00 61.20 C ATOM 1045 CG LEU A 845 3.260 24.785 -7.677 1.00 61.25 C ATOM 1046 CD1 LEU A 845 3.984 25.659 -6.652 1.00 24.43 C ATOM 1047 CD2 LEU A 845 3.276 23.306 -7.284 1.00 13.31 C ATOM 0 H LEU A 845 0.624 23.306 -7.026 1.00 24.41 H new ATOM 0 HA LEU A 845 1.580 25.708 -5.859 1.00 33.14 H new ATOM 0 HB2 LEU A 845 1.352 24.622 -8.633 1.00 61.20 H new ATOM 0 HB3 LEU A 845 1.874 26.271 -8.349 1.00 61.20 H new ATOM 0 HG LEU A 845 3.805 24.874 -8.617 1.00 61.25 H new ATOM 0 HD11 LEU A 845 4.999 25.288 -6.509 1.00 24.43 H new ATOM 0 HD12 LEU A 845 4.021 26.687 -7.012 1.00 24.43 H new ATOM 0 HD13 LEU A 845 3.449 25.626 -5.703 1.00 24.43 H new ATOM 0 HD21 LEU A 845 4.305 22.982 -7.129 1.00 13.31 H new ATOM 0 HD22 LEU A 845 2.709 23.168 -6.363 1.00 13.31 H new ATOM 0 HD23 LEU A 845 2.825 22.713 -8.080 1.00 13.31 H new ATOM 1059 N PRO A 846 0.105 27.636 -6.576 1.00 61.55 N ATOM 1060 CA PRO A 846 -0.897 28.684 -6.666 1.00 32.42 C ATOM 1061 C PRO A 846 -1.255 28.977 -8.124 1.00 52.22 C ATOM 1062 O PRO A 846 -0.386 28.970 -8.994 1.00 63.51 O ATOM 1063 CB PRO A 846 -0.283 29.877 -5.953 1.00 40.31 C ATOM 1064 CG PRO A 846 1.212 29.607 -5.899 1.00 72.42 C ATOM 1065 CD PRO A 846 1.433 28.143 -6.245 1.00 3.20 C ATOM 0 HA PRO A 846 -1.842 28.403 -6.202 1.00 32.42 H new ATOM 0 HB2 PRO A 846 -0.493 30.803 -6.489 1.00 40.31 H new ATOM 0 HB3 PRO A 846 -0.696 29.988 -4.950 1.00 40.31 H new ATOM 0 HG2 PRO A 846 1.742 30.250 -6.602 1.00 72.42 H new ATOM 0 HG3 PRO A 846 1.605 29.828 -4.907 1.00 72.42 H new ATOM 0 HD2 PRO A 846 2.119 28.034 -7.085 1.00 3.20 H new ATOM 0 HD3 PRO A 846 1.867 27.599 -5.406 1.00 3.20 H new ATOM 1073 N GLU A 847 -2.537 29.229 -8.346 1.00 42.13 N ATOM 1074 CA GLU A 847 -3.020 29.525 -9.684 1.00 75.22 C ATOM 1075 C GLU A 847 -2.049 30.462 -10.405 1.00 30.22 C ATOM 1076 O GLU A 847 -1.314 31.212 -9.764 1.00 62.42 O ATOM 1077 CB GLU A 847 -4.428 30.124 -9.639 1.00 24.44 C ATOM 1078 CG GLU A 847 -5.458 29.071 -9.224 1.00 51.31 C ATOM 1079 CD GLU A 847 -6.654 29.721 -8.524 1.00 24.30 C ATOM 1080 OE1 GLU A 847 -7.804 29.509 -8.937 1.00 24.15 O ATOM 1081 OE2 GLU A 847 -6.355 30.468 -7.516 1.00 10.11 O ATOM 0 H GLU A 847 -3.256 29.234 -7.622 1.00 42.13 H new ATOM 0 HA GLU A 847 -3.075 28.591 -10.243 1.00 75.22 H new ATOM 0 HB2 GLU A 847 -4.451 30.957 -8.936 1.00 24.44 H new ATOM 0 HB3 GLU A 847 -4.688 30.526 -10.618 1.00 24.44 H new ATOM 0 HG2 GLU A 847 -5.799 28.525 -10.103 1.00 51.31 H new ATOM 0 HG3 GLU A 847 -4.993 28.344 -8.558 1.00 51.31 H new ATOM 1089 N THR A 848 -2.077 30.388 -11.727 1.00 53.53 N ATOM 1090 CA THR A 848 -1.208 31.221 -12.542 1.00 33.22 C ATOM 1091 C THR A 848 -1.816 32.614 -12.717 1.00 44.03 C ATOM 1092 O THR A 848 -2.905 32.755 -13.270 1.00 14.11 O ATOM 1093 CB THR A 848 -0.962 30.494 -13.865 1.00 53.15 C ATOM 1094 OG1 THR A 848 -2.229 29.928 -14.192 1.00 2.35 O ATOM 1095 CG2 THR A 848 -0.043 29.282 -13.706 1.00 23.32 C ATOM 0 H THR A 848 -2.688 29.764 -12.255 1.00 53.53 H new ATOM 0 HA THR A 848 -0.244 31.380 -12.058 1.00 33.22 H new ATOM 0 HB THR A 848 -0.526 31.188 -14.584 1.00 53.15 H new ATOM 0 HG1 THR A 848 -2.927 30.608 -14.091 1.00 2.35 H new ATOM 0 HG21 THR A 848 0.098 28.803 -14.675 1.00 23.32 H new ATOM 0 HG22 THR A 848 0.922 29.606 -13.317 1.00 23.32 H new ATOM 0 HG23 THR A 848 -0.494 28.572 -13.012 1.00 23.32 H new TER 1103 THR A 848