USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 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 Single : A 783 THR OG1 : rot -8:sc= 0.081 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= -0.352 USER MOD Single : A 802 SER OG : rot 47:sc= 0.0308 USER MOD Single : A 804 LYS NZ :NH3+ -163:sc= -0.0192 (180deg=-0.251) USER MOD Single : A 810 LYS NZ :NH3+ 172:sc= -0.419 (180deg=-0.588) USER MOD Single : A 813 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 814 LYS NZ :NH3+ 172:sc= 0.472 (180deg=0.355) USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.1) USER MOD Single : A 818 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.8!) USER MOD Single : A 826 TYR OH : rot 150:sc= 0.939 USER MOD Single : A 834 SER OG : rot 104:sc= -0.453! USER MOD Single : A 835 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD Single : A 841 TYR OH : rot 15:sc= -1.25 USER MOD Single : A 842 SER OG : rot 41:sc= 0.03 USER MOD Single : A 844 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 THR OG1 : rot 52:sc= 0.00733 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 780 1.649 0.493 -8.301 1.00 53.31 N ATOM 2 CA GLY A 780 0.955 0.082 -7.092 1.00 63.43 C ATOM 3 C GLY A 780 -0.129 1.091 -6.711 1.00 51.42 C ATOM 4 O GLY A 780 -0.121 2.226 -7.187 1.00 72.53 O ATOM 0 HA2 GLY A 780 0.506 -0.900 -7.242 1.00 63.43 H new ATOM 0 HA3 GLY A 780 1.669 -0.016 -6.274 1.00 63.43 H new ATOM 8 N PRO A 781 -1.060 0.631 -5.834 1.00 14.05 N ATOM 9 CA PRO A 781 -2.149 1.481 -5.383 1.00 51.21 C ATOM 10 C PRO A 781 -1.654 2.515 -4.369 1.00 74.13 C ATOM 11 O PRO A 781 -2.401 3.409 -3.975 1.00 2.32 O ATOM 12 CB PRO A 781 -3.180 0.526 -4.803 1.00 43.40 C ATOM 13 CG PRO A 781 -2.437 -0.771 -4.527 1.00 11.25 C ATOM 14 CD PRO A 781 -1.101 -0.706 -5.249 1.00 33.22 C ATOM 0 HA PRO A 781 -2.583 2.072 -6.190 1.00 51.21 H new ATOM 0 HB2 PRO A 781 -3.615 0.929 -3.889 1.00 43.40 H new ATOM 0 HB3 PRO A 781 -4.000 0.365 -5.502 1.00 43.40 H new ATOM 0 HG2 PRO A 781 -2.286 -0.904 -3.456 1.00 11.25 H new ATOM 0 HG3 PRO A 781 -3.018 -1.625 -4.875 1.00 11.25 H new ATOM 0 HD2 PRO A 781 -0.271 -0.862 -4.560 1.00 33.22 H new ATOM 0 HD3 PRO A 781 -1.028 -1.476 -6.017 1.00 33.22 H new ATOM 22 N GLY A 782 -0.399 2.358 -3.977 1.00 23.31 N ATOM 23 CA GLY A 782 0.205 3.266 -3.017 1.00 14.42 C ATOM 24 C GLY A 782 1.180 4.223 -3.705 1.00 53.45 C ATOM 25 O GLY A 782 2.178 4.630 -3.114 1.00 24.14 O ATOM 0 H GLY A 782 0.217 1.615 -4.307 1.00 23.31 H new ATOM 0 HA2 GLY A 782 -0.574 3.837 -2.511 1.00 14.42 H new ATOM 0 HA3 GLY A 782 0.730 2.695 -2.251 1.00 14.42 H new ATOM 29 N THR A 783 0.856 4.556 -4.947 1.00 32.45 N ATOM 30 CA THR A 783 1.691 5.457 -5.722 1.00 54.21 C ATOM 31 C THR A 783 2.230 6.581 -4.835 1.00 31.34 C ATOM 32 O THR A 783 1.471 7.222 -4.109 1.00 63.02 O ATOM 33 CB THR A 783 0.866 5.962 -6.908 1.00 44.10 C ATOM 34 OG1 THR A 783 0.336 4.776 -7.492 1.00 71.34 O ATOM 35 CG2 THR A 783 1.737 6.564 -8.013 1.00 4.25 C ATOM 0 H THR A 783 0.027 4.218 -5.435 1.00 32.45 H new ATOM 0 HA THR A 783 2.570 4.944 -6.113 1.00 54.21 H new ATOM 0 HB THR A 783 0.152 6.709 -6.561 1.00 44.10 H new ATOM 0 HG1 THR A 783 0.744 3.992 -7.068 1.00 71.34 H new ATOM 0 HG21 THR A 783 1.102 6.907 -8.830 1.00 4.25 H new ATOM 0 HG22 THR A 783 2.301 7.407 -7.613 1.00 4.25 H new ATOM 0 HG23 THR A 783 2.429 5.808 -8.383 1.00 4.25 H new ATOM 43 N PHE A 784 3.536 6.785 -4.921 1.00 61.35 N ATOM 44 CA PHE A 784 4.186 7.820 -4.135 1.00 72.33 C ATOM 45 C PHE A 784 3.742 9.212 -4.589 1.00 3.15 C ATOM 46 O PHE A 784 3.094 9.937 -3.835 1.00 61.11 O ATOM 47 CB PHE A 784 5.692 7.677 -4.365 1.00 54.03 C ATOM 48 CG PHE A 784 6.373 6.682 -3.424 1.00 63.43 C ATOM 49 CD1 PHE A 784 6.430 5.363 -3.754 1.00 44.43 C ATOM 50 CD2 PHE A 784 6.922 7.115 -2.258 1.00 30.12 C ATOM 51 CE1 PHE A 784 7.063 4.440 -2.881 1.00 31.31 C ATOM 52 CE2 PHE A 784 7.555 6.191 -1.384 1.00 55.13 C ATOM 53 CZ PHE A 784 7.612 4.873 -1.714 1.00 74.04 C ATOM 0 H PHE A 784 4.162 6.251 -5.523 1.00 61.35 H new ATOM 0 HA PHE A 784 3.923 7.709 -3.083 1.00 72.33 H new ATOM 0 HB2 PHE A 784 5.864 7.364 -5.395 1.00 54.03 H new ATOM 0 HB3 PHE A 784 6.162 8.653 -4.246 1.00 54.03 H new ATOM 0 HD1 PHE A 784 5.994 5.019 -4.680 1.00 44.43 H new ATOM 0 HD2 PHE A 784 6.877 8.162 -1.996 1.00 30.12 H new ATOM 0 HE1 PHE A 784 7.109 3.393 -3.143 1.00 31.31 H new ATOM 0 HE2 PHE A 784 7.991 6.535 -0.458 1.00 55.13 H new ATOM 0 HZ PHE A 784 8.093 4.170 -1.050 1.00 74.04 H new ATOM 63 N GLY A 785 4.109 9.544 -5.817 1.00 44.34 N ATOM 64 CA GLY A 785 3.757 10.837 -6.380 1.00 5.00 C ATOM 65 C GLY A 785 4.585 11.134 -7.632 1.00 70.43 C ATOM 66 O GLY A 785 4.303 10.605 -8.707 1.00 22.25 O ATOM 0 H GLY A 785 4.647 8.940 -6.439 1.00 44.34 H new ATOM 0 HA2 GLY A 785 2.696 10.852 -6.629 1.00 5.00 H new ATOM 0 HA3 GLY A 785 3.921 11.618 -5.637 1.00 5.00 H new ATOM 70 N THR A 786 5.590 11.978 -7.452 1.00 54.55 N ATOM 71 CA THR A 786 6.460 12.352 -8.555 1.00 31.25 C ATOM 72 C THR A 786 7.833 12.777 -8.030 1.00 33.44 C ATOM 73 O THR A 786 8.036 12.873 -6.820 1.00 64.23 O ATOM 74 CB THR A 786 5.755 13.442 -9.365 1.00 64.51 C ATOM 75 OG1 THR A 786 5.127 14.256 -8.379 1.00 71.01 O ATOM 76 CG2 THR A 786 4.591 12.895 -10.194 1.00 24.31 C ATOM 0 H THR A 786 5.822 12.414 -6.559 1.00 54.55 H new ATOM 0 HA THR A 786 6.647 11.506 -9.216 1.00 31.25 H new ATOM 0 HB THR A 786 6.475 13.926 -10.025 1.00 64.51 H new ATOM 0 HG1 THR A 786 4.648 14.990 -8.817 1.00 71.01 H new ATOM 0 HG21 THR A 786 4.126 13.709 -10.749 1.00 24.31 H new ATOM 0 HG22 THR A 786 4.963 12.145 -10.893 1.00 24.31 H new ATOM 0 HG23 THR A 786 3.855 12.440 -9.531 1.00 24.31 H new ATOM 84 N ALA A 787 8.739 13.020 -8.965 1.00 21.41 N ATOM 85 CA ALA A 787 10.087 13.432 -8.612 1.00 31.12 C ATOM 86 C ALA A 787 10.599 14.430 -9.652 1.00 2.10 C ATOM 87 O ALA A 787 10.946 14.046 -10.768 1.00 2.12 O ATOM 88 CB ALA A 787 10.984 12.198 -8.496 1.00 5.31 C ATOM 0 H ALA A 787 8.566 12.940 -9.967 1.00 21.41 H new ATOM 0 HA ALA A 787 10.095 13.932 -7.644 1.00 31.12 H new ATOM 0 HB1 ALA A 787 11.995 12.507 -8.231 1.00 5.31 H new ATOM 0 HB2 ALA A 787 10.593 11.535 -7.724 1.00 5.31 H new ATOM 0 HB3 ALA A 787 11.004 11.671 -9.450 1.00 5.31 H new ATOM 94 N LYS A 788 10.630 15.692 -9.249 1.00 64.12 N ATOM 95 CA LYS A 788 11.095 16.748 -10.133 1.00 15.24 C ATOM 96 C LYS A 788 12.601 16.597 -10.354 1.00 11.13 C ATOM 97 O LYS A 788 13.384 16.701 -9.411 1.00 32.13 O ATOM 98 CB LYS A 788 10.687 18.119 -9.589 1.00 3.13 C ATOM 99 CG LYS A 788 10.406 19.100 -10.729 1.00 21.21 C ATOM 100 CD LYS A 788 9.433 20.193 -10.284 1.00 54.22 C ATOM 101 CE LYS A 788 9.756 21.525 -10.965 1.00 35.22 C ATOM 102 NZ LYS A 788 8.835 22.584 -10.494 1.00 61.03 N ATOM 0 H LYS A 788 10.341 16.007 -8.323 1.00 64.12 H new ATOM 0 HA LYS A 788 10.620 16.664 -11.110 1.00 15.24 H new ATOM 0 HB2 LYS A 788 9.799 18.017 -8.965 1.00 3.13 H new ATOM 0 HB3 LYS A 788 11.480 18.513 -8.953 1.00 3.13 H new ATOM 0 HG2 LYS A 788 11.340 19.553 -11.062 1.00 21.21 H new ATOM 0 HG3 LYS A 788 9.990 18.563 -11.582 1.00 21.21 H new ATOM 0 HD2 LYS A 788 8.412 19.896 -10.524 1.00 54.22 H new ATOM 0 HD3 LYS A 788 9.484 20.312 -9.202 1.00 54.22 H new ATOM 0 HE2 LYS A 788 10.786 21.809 -10.751 1.00 35.22 H new ATOM 0 HE3 LYS A 788 9.673 21.417 -12.046 1.00 35.22 H new ATOM 0 HZ1 LYS A 788 9.068 23.481 -10.966 1.00 61.03 H new ATOM 0 HZ2 LYS A 788 7.855 22.318 -10.720 1.00 61.03 H new ATOM 0 HZ3 LYS A 788 8.934 22.698 -9.465 1.00 61.03 H new ATOM 115 N ALA A 789 12.962 16.354 -11.605 1.00 54.22 N ATOM 116 CA ALA A 789 14.360 16.188 -11.962 1.00 62.22 C ATOM 117 C ALA A 789 15.110 17.493 -11.691 1.00 3.35 C ATOM 118 O ALA A 789 14.644 18.570 -12.060 1.00 60.24 O ATOM 119 CB ALA A 789 14.465 15.748 -13.424 1.00 4.21 C ATOM 0 H ALA A 789 12.310 16.268 -12.385 1.00 54.22 H new ATOM 0 HA ALA A 789 14.821 15.410 -11.353 1.00 62.22 H new ATOM 0 HB1 ALA A 789 15.514 15.623 -13.692 1.00 4.21 H new ATOM 0 HB2 ALA A 789 13.941 14.801 -13.558 1.00 4.21 H new ATOM 0 HB3 ALA A 789 14.014 16.505 -14.065 1.00 4.21 H new ATOM 125 N ARG A 790 16.260 17.355 -11.046 1.00 52.14 N ATOM 126 CA ARG A 790 17.079 18.510 -10.721 1.00 11.21 C ATOM 127 C ARG A 790 18.318 18.552 -11.618 1.00 12.13 C ATOM 128 O ARG A 790 19.129 19.471 -11.519 1.00 4.12 O ATOM 129 CB ARG A 790 17.519 18.478 -9.256 1.00 1.10 C ATOM 130 CG ARG A 790 16.357 18.832 -8.326 1.00 75.33 C ATOM 131 CD ARG A 790 15.835 20.241 -8.613 1.00 14.22 C ATOM 132 NE ARG A 790 16.964 21.144 -8.929 1.00 15.43 N ATOM 133 CZ ARG A 790 17.708 21.779 -7.999 1.00 2.14 C ATOM 134 NH1 ARG A 790 17.449 21.614 -6.684 1.00 50.10 N ATOM 135 NH2 ARG A 790 18.694 22.564 -8.394 1.00 34.52 N ATOM 0 H ARG A 790 16.643 16.461 -10.740 1.00 52.14 H new ATOM 0 HA ARG A 790 16.475 19.402 -10.888 1.00 11.21 H new ATOM 0 HB2 ARG A 790 17.899 17.487 -9.008 1.00 1.10 H new ATOM 0 HB3 ARG A 790 18.338 19.180 -9.103 1.00 1.10 H new ATOM 0 HG2 ARG A 790 15.551 18.109 -8.453 1.00 75.33 H new ATOM 0 HG3 ARG A 790 16.684 18.766 -7.288 1.00 75.33 H new ATOM 0 HD2 ARG A 790 15.134 20.215 -9.448 1.00 14.22 H new ATOM 0 HD3 ARG A 790 15.288 20.618 -7.749 1.00 14.22 H new ATOM 0 HE ARG A 790 17.194 21.296 -9.911 1.00 15.43 H new ATOM 0 HH11 ARG A 790 16.686 21.006 -6.387 1.00 50.10 H new ATOM 0 HH12 ARG A 790 18.016 22.098 -5.988 1.00 50.10 H new ATOM 0 HH21 ARG A 790 18.884 22.683 -9.389 1.00 34.52 H new ATOM 0 HH22 ARG A 790 19.266 23.051 -7.704 1.00 34.52 H new ATOM 148 N TYR A 791 18.425 17.546 -12.473 1.00 35.44 N ATOM 149 CA TYR A 791 19.551 17.456 -13.386 1.00 72.13 C ATOM 150 C TYR A 791 19.223 16.548 -14.573 1.00 61.42 C ATOM 151 O TYR A 791 18.777 15.416 -14.389 1.00 2.10 O ATOM 152 CB TYR A 791 20.696 16.834 -12.584 1.00 72.04 C ATOM 153 CG TYR A 791 21.037 17.589 -11.298 1.00 55.01 C ATOM 154 CD1 TYR A 791 20.343 17.320 -10.135 1.00 63.54 C ATOM 155 CD2 TYR A 791 22.037 18.540 -11.300 1.00 71.33 C ATOM 156 CE1 TYR A 791 20.664 18.030 -8.925 1.00 0.22 C ATOM 157 CE2 TYR A 791 22.358 19.250 -10.090 1.00 14.33 C ATOM 158 CZ TYR A 791 21.655 18.960 -8.962 1.00 4.54 C ATOM 159 OH TYR A 791 21.958 19.632 -7.818 1.00 62.42 O ATOM 0 H TYR A 791 17.750 16.786 -12.553 1.00 35.44 H new ATOM 0 HA TYR A 791 19.804 18.440 -13.781 1.00 72.13 H new ATOM 0 HB2 TYR A 791 20.433 15.807 -12.331 1.00 72.04 H new ATOM 0 HB3 TYR A 791 21.585 16.790 -13.214 1.00 72.04 H new ATOM 0 HD1 TYR A 791 19.559 16.577 -10.133 1.00 63.54 H new ATOM 0 HD2 TYR A 791 22.579 18.752 -12.210 1.00 71.33 H new ATOM 0 HE1 TYR A 791 20.130 17.829 -8.008 1.00 0.22 H new ATOM 0 HE2 TYR A 791 23.139 19.996 -10.078 1.00 14.33 H new ATOM 0 HH TYR A 791 22.686 20.264 -7.993 1.00 62.42 H new ATOM 169 N ASP A 792 19.457 17.077 -15.765 1.00 11.21 N ATOM 170 CA ASP A 792 19.192 16.328 -16.982 1.00 2.53 C ATOM 171 C ASP A 792 20.073 15.077 -17.007 1.00 54.53 C ATOM 172 O ASP A 792 21.298 15.177 -17.056 1.00 13.13 O ATOM 173 CB ASP A 792 19.518 17.161 -18.223 1.00 1.42 C ATOM 174 CG ASP A 792 20.973 17.622 -18.329 1.00 24.40 C ATOM 175 OD1 ASP A 792 21.601 17.515 -19.393 1.00 52.43 O ATOM 176 OD2 ASP A 792 21.470 18.113 -17.245 1.00 1.52 O ATOM 0 H ASP A 792 19.827 18.016 -15.914 1.00 11.21 H new ATOM 0 HA ASP A 792 18.134 16.064 -16.993 1.00 2.53 H new ATOM 0 HB2 ASP A 792 19.273 16.576 -19.109 1.00 1.42 H new ATOM 0 HB3 ASP A 792 18.873 18.039 -18.232 1.00 1.42 H new ATOM 182 N PHE A 793 19.414 13.928 -16.974 1.00 11.44 N ATOM 183 CA PHE A 793 20.121 12.659 -16.992 1.00 44.33 C ATOM 184 C PHE A 793 19.954 11.958 -18.342 1.00 44.30 C ATOM 185 O PHE A 793 18.850 11.555 -18.703 1.00 61.34 O ATOM 186 CB PHE A 793 19.504 11.787 -15.898 1.00 33.31 C ATOM 187 CG PHE A 793 20.480 10.788 -15.273 1.00 3.30 C ATOM 188 CD1 PHE A 793 21.745 11.179 -14.960 1.00 72.22 C ATOM 189 CD2 PHE A 793 20.084 9.510 -15.030 1.00 54.22 C ATOM 190 CE1 PHE A 793 22.651 10.252 -14.380 1.00 41.20 C ATOM 191 CE2 PHE A 793 20.990 8.584 -14.450 1.00 72.42 C ATOM 192 CZ PHE A 793 22.254 8.974 -14.137 1.00 44.13 C ATOM 0 H PHE A 793 18.398 13.850 -16.935 1.00 11.44 H new ATOM 0 HA PHE A 793 21.186 12.824 -16.828 1.00 44.33 H new ATOM 0 HB2 PHE A 793 19.109 12.432 -15.113 1.00 33.31 H new ATOM 0 HB3 PHE A 793 18.659 11.240 -16.317 1.00 33.31 H new ATOM 0 HD1 PHE A 793 22.060 12.194 -15.153 1.00 72.22 H new ATOM 0 HD2 PHE A 793 19.080 9.199 -15.278 1.00 54.22 H new ATOM 0 HE1 PHE A 793 23.655 10.562 -14.132 1.00 41.20 H new ATOM 0 HE2 PHE A 793 20.675 7.569 -14.257 1.00 72.42 H new ATOM 0 HZ PHE A 793 22.943 8.269 -13.695 1.00 44.13 H new ATOM 202 N CYS A 794 21.067 11.835 -19.050 1.00 42.04 N ATOM 203 CA CYS A 794 21.058 11.190 -20.352 1.00 70.23 C ATOM 204 C CYS A 794 21.099 9.675 -20.138 1.00 52.42 C ATOM 205 O CYS A 794 22.124 9.130 -19.734 1.00 63.40 O ATOM 206 CB CYS A 794 22.213 11.673 -21.231 1.00 41.34 C ATOM 207 SG CYS A 794 22.035 11.001 -22.924 1.00 52.53 S ATOM 0 H CYS A 794 21.981 12.171 -18.747 1.00 42.04 H new ATOM 0 HA CYS A 794 20.146 11.456 -20.886 1.00 70.23 H new ATOM 0 HB2 CYS A 794 22.226 12.762 -21.263 1.00 41.34 H new ATOM 0 HB3 CYS A 794 23.164 11.356 -20.803 1.00 41.34 H new ATOM 0 HG CYS A 794 23.020 11.419 -23.663 1.00 52.53 H new ATOM 213 N ALA A 795 19.971 9.040 -20.419 1.00 32.42 N ATOM 214 CA ALA A 795 19.865 7.599 -20.262 1.00 31.10 C ATOM 215 C ALA A 795 20.713 6.910 -21.333 1.00 31.11 C ATOM 216 O ALA A 795 20.320 6.850 -22.497 1.00 44.11 O ATOM 217 CB ALA A 795 18.393 7.185 -20.328 1.00 24.01 C ATOM 0 H ALA A 795 19.123 9.496 -20.754 1.00 32.42 H new ATOM 0 HA ALA A 795 20.247 7.290 -19.289 1.00 31.10 H new ATOM 0 HB1 ALA A 795 18.313 6.104 -20.210 1.00 24.01 H new ATOM 0 HB2 ALA A 795 17.840 7.679 -19.529 1.00 24.01 H new ATOM 0 HB3 ALA A 795 17.976 7.477 -21.292 1.00 24.01 H new ATOM 223 N ARG A 796 21.860 6.407 -20.901 1.00 0.10 N ATOM 224 CA ARG A 796 22.767 5.725 -21.808 1.00 71.43 C ATOM 225 C ARG A 796 22.050 4.564 -22.501 1.00 65.14 C ATOM 226 O ARG A 796 22.493 4.092 -23.548 1.00 4.44 O ATOM 227 CB ARG A 796 23.991 5.188 -21.063 1.00 74.42 C ATOM 228 CG ARG A 796 23.573 4.395 -19.823 1.00 60.41 C ATOM 229 CD ARG A 796 24.588 3.294 -19.508 1.00 44.14 C ATOM 230 NE ARG A 796 24.395 2.808 -18.124 1.00 5.42 N ATOM 231 CZ ARG A 796 25.110 1.808 -17.566 1.00 74.55 C ATOM 232 NH1 ARG A 796 26.072 1.177 -18.273 1.00 32.43 N ATOM 233 NH2 ARG A 796 24.853 1.455 -16.321 1.00 31.14 N ATOM 0 H ARG A 796 22.182 6.458 -19.935 1.00 0.10 H new ATOM 0 HA ARG A 796 23.098 6.449 -22.553 1.00 71.43 H new ATOM 0 HB2 ARG A 796 24.575 4.551 -21.727 1.00 74.42 H new ATOM 0 HB3 ARG A 796 24.635 6.017 -20.769 1.00 74.42 H new ATOM 0 HG2 ARG A 796 23.484 5.068 -18.970 1.00 60.41 H new ATOM 0 HG3 ARG A 796 22.590 3.953 -19.984 1.00 60.41 H new ATOM 0 HD2 ARG A 796 24.472 2.469 -20.211 1.00 44.14 H new ATOM 0 HD3 ARG A 796 25.601 3.677 -19.630 1.00 44.14 H new ATOM 0 HE ARG A 796 23.677 3.257 -17.556 1.00 5.42 H new ATOM 0 HH11 ARG A 796 26.263 1.455 -19.236 1.00 32.43 H new ATOM 0 HH12 ARG A 796 26.608 0.422 -17.844 1.00 32.43 H new ATOM 0 HH21 ARG A 796 24.123 1.936 -15.795 1.00 31.14 H new ATOM 0 HH22 ARG A 796 25.384 0.701 -15.885 1.00 31.14 H new ATOM 246 N ASP A 797 20.955 4.137 -21.890 1.00 63.23 N ATOM 247 CA ASP A 797 20.173 3.040 -22.436 1.00 2.34 C ATOM 248 C ASP A 797 18.788 3.035 -21.785 1.00 62.35 C ATOM 249 O ASP A 797 18.540 3.780 -20.839 1.00 54.55 O ATOM 250 CB ASP A 797 20.837 1.693 -22.146 1.00 21.25 C ATOM 251 CG ASP A 797 22.136 1.433 -22.912 1.00 14.40 C ATOM 252 OD1 ASP A 797 23.228 1.813 -22.465 1.00 10.52 O ATOM 253 OD2 ASP A 797 21.993 0.804 -24.029 1.00 30.32 O ATOM 0 H ASP A 797 20.590 4.530 -21.022 1.00 63.23 H new ATOM 0 HA ASP A 797 20.100 3.181 -23.514 1.00 2.34 H new ATOM 0 HB2 ASP A 797 21.044 1.630 -21.078 1.00 21.25 H new ATOM 0 HB3 ASP A 797 20.129 0.898 -22.381 1.00 21.25 H new ATOM 259 N ARG A 798 17.923 2.185 -22.319 1.00 12.01 N ATOM 260 CA ARG A 798 16.569 2.072 -21.802 1.00 43.54 C ATOM 261 C ARG A 798 16.596 1.676 -20.325 1.00 1.01 C ATOM 262 O ARG A 798 15.594 1.809 -19.625 1.00 33.14 O ATOM 263 CB ARG A 798 15.765 1.034 -22.587 1.00 51.44 C ATOM 264 CG ARG A 798 16.354 -0.366 -22.408 1.00 23.10 C ATOM 265 CD ARG A 798 17.391 -0.668 -23.492 1.00 53.24 C ATOM 266 NE ARG A 798 17.398 -2.116 -23.796 1.00 70.25 N ATOM 267 CZ ARG A 798 18.451 -2.772 -24.329 1.00 73.42 C ATOM 268 NH1 ARG A 798 19.592 -2.113 -24.622 1.00 20.52 N ATOM 269 NH2 ARG A 798 18.347 -4.068 -24.560 1.00 1.01 N ATOM 0 H ARG A 798 18.133 1.568 -23.104 1.00 12.01 H new ATOM 0 HA ARG A 798 16.090 3.045 -21.912 1.00 43.54 H new ATOM 0 HB2 ARG A 798 14.728 1.042 -22.251 1.00 51.44 H new ATOM 0 HB3 ARG A 798 15.759 1.297 -23.645 1.00 51.44 H new ATOM 0 HG2 ARG A 798 16.817 -0.446 -21.424 1.00 23.10 H new ATOM 0 HG3 ARG A 798 15.556 -1.108 -22.446 1.00 23.10 H new ATOM 0 HD2 ARG A 798 17.163 -0.100 -24.394 1.00 53.24 H new ATOM 0 HD3 ARG A 798 18.380 -0.353 -23.159 1.00 53.24 H new ATOM 0 HE ARG A 798 16.555 -2.652 -23.590 1.00 70.25 H new ATOM 0 HH11 ARG A 798 19.664 -1.112 -24.441 1.00 20.52 H new ATOM 0 HH12 ARG A 798 20.383 -2.616 -25.024 1.00 20.52 H new ATOM 0 HH21 ARG A 798 17.481 -4.558 -24.336 1.00 1.01 H new ATOM 0 HH22 ARG A 798 19.133 -4.579 -24.962 1.00 1.01 H new ATOM 282 N SER A 799 17.754 1.197 -19.895 1.00 1.24 N ATOM 283 CA SER A 799 17.925 0.781 -18.513 1.00 73.51 C ATOM 284 C SER A 799 17.925 2.004 -17.594 1.00 20.31 C ATOM 285 O SER A 799 17.919 1.866 -16.372 1.00 15.14 O ATOM 286 CB SER A 799 19.217 -0.018 -18.334 1.00 64.13 C ATOM 287 OG SER A 799 20.257 0.451 -19.189 1.00 30.31 O ATOM 0 H SER A 799 18.583 1.088 -20.479 1.00 1.24 H new ATOM 0 HA SER A 799 17.090 0.134 -18.245 1.00 73.51 H new ATOM 0 HB2 SER A 799 19.543 0.048 -17.296 1.00 64.13 H new ATOM 0 HB3 SER A 799 19.024 -1.071 -18.541 1.00 64.13 H new ATOM 0 HG SER A 799 21.066 -0.083 -19.044 1.00 30.31 H new ATOM 293 N GLU A 800 17.933 3.173 -18.217 1.00 73.45 N ATOM 294 CA GLU A 800 17.934 4.419 -17.471 1.00 11.22 C ATOM 295 C GLU A 800 16.772 5.307 -17.919 1.00 14.51 C ATOM 296 O GLU A 800 16.348 5.247 -19.072 1.00 45.23 O ATOM 297 CB GLU A 800 19.271 5.148 -17.622 1.00 73.43 C ATOM 298 CG GLU A 800 19.514 6.097 -16.447 1.00 51.25 C ATOM 299 CD GLU A 800 20.261 5.389 -15.316 1.00 20.04 C ATOM 300 OE1 GLU A 800 21.491 5.510 -15.214 1.00 31.32 O ATOM 301 OE2 GLU A 800 19.518 4.694 -14.523 1.00 73.41 O ATOM 0 H GLU A 800 17.939 3.283 -19.231 1.00 73.45 H new ATOM 0 HA GLU A 800 17.802 4.187 -16.414 1.00 11.22 H new ATOM 0 HB2 GLU A 800 20.081 4.421 -17.680 1.00 73.43 H new ATOM 0 HB3 GLU A 800 19.279 5.710 -18.556 1.00 73.43 H new ATOM 0 HG2 GLU A 800 20.090 6.959 -16.784 1.00 51.25 H new ATOM 0 HG3 GLU A 800 18.561 6.475 -16.077 1.00 51.25 H new ATOM 309 N LEU A 801 16.288 6.111 -16.983 1.00 43.54 N ATOM 310 CA LEU A 801 15.183 7.011 -17.268 1.00 1.15 C ATOM 311 C LEU A 801 15.733 8.336 -17.798 1.00 45.34 C ATOM 312 O LEU A 801 16.726 8.850 -17.285 1.00 43.34 O ATOM 313 CB LEU A 801 14.288 7.166 -16.036 1.00 61.03 C ATOM 314 CG LEU A 801 12.798 7.376 -16.312 1.00 50.45 C ATOM 315 CD1 LEU A 801 12.029 7.620 -15.013 1.00 35.43 C ATOM 316 CD2 LEU A 801 12.582 8.502 -17.326 1.00 12.12 C ATOM 0 H LEU A 801 16.641 6.158 -16.027 1.00 43.54 H new ATOM 0 HA LEU A 801 14.545 6.596 -18.048 1.00 1.15 H new ATOM 0 HB2 LEU A 801 14.401 6.277 -15.415 1.00 61.03 H new ATOM 0 HB3 LEU A 801 14.652 8.011 -15.451 1.00 61.03 H new ATOM 0 HG LEU A 801 12.400 6.463 -16.755 1.00 50.45 H new ATOM 0 HD11 LEU A 801 10.972 7.766 -15.238 1.00 35.43 H new ATOM 0 HD12 LEU A 801 12.144 6.759 -14.355 1.00 35.43 H new ATOM 0 HD13 LEU A 801 12.421 8.509 -14.519 1.00 35.43 H new ATOM 0 HD21 LEU A 801 11.514 8.631 -17.505 1.00 12.12 H new ATOM 0 HD22 LEU A 801 12.999 9.430 -16.934 1.00 12.12 H new ATOM 0 HD23 LEU A 801 13.079 8.248 -18.263 1.00 12.12 H new ATOM 328 N SER A 802 15.064 8.852 -18.819 1.00 65.43 N ATOM 329 CA SER A 802 15.474 10.107 -19.425 1.00 42.13 C ATOM 330 C SER A 802 14.949 11.283 -18.599 1.00 72.12 C ATOM 331 O SER A 802 13.775 11.639 -18.696 1.00 45.20 O ATOM 332 CB SER A 802 14.978 10.209 -20.869 1.00 44.41 C ATOM 333 OG SER A 802 13.648 9.720 -21.013 1.00 31.44 O ATOM 0 H SER A 802 14.241 8.423 -19.242 1.00 65.43 H new ATOM 0 HA SER A 802 16.563 10.140 -19.440 1.00 42.13 H new ATOM 0 HB2 SER A 802 15.019 11.249 -21.194 1.00 44.41 H new ATOM 0 HB3 SER A 802 15.644 9.645 -21.522 1.00 44.41 H new ATOM 0 HG SER A 802 13.084 10.094 -20.304 1.00 31.44 H new ATOM 339 N LEU A 803 15.843 11.853 -17.805 1.00 41.12 N ATOM 340 CA LEU A 803 15.484 12.981 -16.963 1.00 5.34 C ATOM 341 C LEU A 803 15.791 14.284 -17.704 1.00 64.12 C ATOM 342 O LEU A 803 16.620 14.305 -18.613 1.00 21.41 O ATOM 343 CB LEU A 803 16.172 12.873 -15.600 1.00 61.52 C ATOM 344 CG LEU A 803 15.429 12.061 -14.537 1.00 24.21 C ATOM 345 CD1 LEU A 803 14.570 10.971 -15.180 1.00 63.44 C ATOM 346 CD2 LEU A 803 16.403 11.489 -13.505 1.00 20.34 C ATOM 0 H LEU A 803 16.815 11.555 -17.727 1.00 41.12 H new ATOM 0 HA LEU A 803 14.414 12.976 -16.756 1.00 5.34 H new ATOM 0 HB2 LEU A 803 17.156 12.429 -15.746 1.00 61.52 H new ATOM 0 HB3 LEU A 803 16.331 13.880 -15.214 1.00 61.52 H new ATOM 0 HG LEU A 803 14.753 12.731 -14.006 1.00 24.21 H new ATOM 0 HD11 LEU A 803 14.053 10.409 -14.402 1.00 63.44 H new ATOM 0 HD12 LEU A 803 13.837 11.430 -15.844 1.00 63.44 H new ATOM 0 HD13 LEU A 803 15.207 10.296 -15.753 1.00 63.44 H new ATOM 0 HD21 LEU A 803 15.850 10.916 -12.761 1.00 20.34 H new ATOM 0 HD22 LEU A 803 17.121 10.838 -14.004 1.00 20.34 H new ATOM 0 HD23 LEU A 803 16.934 12.305 -13.014 1.00 20.34 H new ATOM 358 N LYS A 804 15.107 15.339 -17.289 1.00 13.42 N ATOM 359 CA LYS A 804 15.296 16.643 -17.902 1.00 72.13 C ATOM 360 C LYS A 804 14.872 17.733 -16.916 1.00 34.44 C ATOM 361 O LYS A 804 13.688 17.873 -16.611 1.00 61.41 O ATOM 362 CB LYS A 804 14.568 16.713 -19.246 1.00 41.23 C ATOM 363 CG LYS A 804 15.311 17.625 -20.225 1.00 13.31 C ATOM 364 CD LYS A 804 14.788 19.061 -20.141 1.00 72.31 C ATOM 365 CE LYS A 804 15.636 20.004 -20.996 1.00 41.03 C ATOM 366 NZ LYS A 804 16.983 20.170 -20.405 1.00 33.22 N ATOM 0 H LYS A 804 14.420 15.318 -16.535 1.00 13.42 H new ATOM 0 HA LYS A 804 16.350 16.809 -18.126 1.00 72.13 H new ATOM 0 HB2 LYS A 804 14.482 15.712 -19.670 1.00 41.23 H new ATOM 0 HB3 LYS A 804 13.554 17.084 -19.096 1.00 41.23 H new ATOM 0 HG2 LYS A 804 16.378 17.609 -20.004 1.00 13.31 H new ATOM 0 HG3 LYS A 804 15.190 17.249 -21.241 1.00 13.31 H new ATOM 0 HD2 LYS A 804 13.751 19.094 -20.476 1.00 72.31 H new ATOM 0 HD3 LYS A 804 14.799 19.396 -19.104 1.00 72.31 H new ATOM 0 HE2 LYS A 804 15.723 19.608 -22.008 1.00 41.03 H new ATOM 0 HE3 LYS A 804 15.145 20.974 -21.074 1.00 41.03 H new ATOM 0 HZ1 LYS A 804 17.440 21.010 -20.813 1.00 33.22 H new ATOM 0 HZ2 LYS A 804 16.898 20.288 -19.375 1.00 33.22 H new ATOM 0 HZ3 LYS A 804 17.558 19.329 -20.611 1.00 33.22 H new ATOM 379 N GLU A 805 15.861 18.476 -16.443 1.00 40.33 N ATOM 380 CA GLU A 805 15.605 19.549 -15.497 1.00 42.13 C ATOM 381 C GLU A 805 14.313 20.282 -15.863 1.00 33.15 C ATOM 382 O GLU A 805 14.095 20.622 -17.024 1.00 51.13 O ATOM 383 CB GLU A 805 16.787 20.519 -15.436 1.00 13.24 C ATOM 384 CG GLU A 805 17.876 19.997 -14.497 1.00 3.12 C ATOM 385 CD GLU A 805 19.258 20.486 -14.935 1.00 42.13 C ATOM 386 OE1 GLU A 805 20.056 20.927 -14.094 1.00 74.31 O ATOM 387 OE2 GLU A 805 19.492 20.395 -16.201 1.00 5.34 O ATOM 0 H GLU A 805 16.842 18.356 -16.697 1.00 40.33 H new ATOM 0 HA GLU A 805 15.484 19.112 -14.506 1.00 42.13 H new ATOM 0 HB2 GLU A 805 17.200 20.659 -16.435 1.00 13.24 H new ATOM 0 HB3 GLU A 805 16.444 21.495 -15.094 1.00 13.24 H new ATOM 0 HG2 GLU A 805 17.674 20.330 -13.479 1.00 3.12 H new ATOM 0 HG3 GLU A 805 17.859 18.907 -14.485 1.00 3.12 H new ATOM 395 N GLY A 806 13.489 20.503 -14.849 1.00 11.52 N ATOM 396 CA GLY A 806 12.224 21.190 -15.049 1.00 32.34 C ATOM 397 C GLY A 806 11.104 20.195 -15.362 1.00 41.23 C ATOM 398 O GLY A 806 9.946 20.584 -15.507 1.00 42.12 O ATOM 0 H GLY A 806 13.673 20.219 -13.887 1.00 11.52 H new ATOM 0 HA2 GLY A 806 11.970 21.760 -14.155 1.00 32.34 H new ATOM 0 HA3 GLY A 806 12.319 21.905 -15.866 1.00 32.34 H new ATOM 402 N ASP A 807 11.489 18.931 -15.458 1.00 33.12 N ATOM 403 CA ASP A 807 10.532 17.878 -15.752 1.00 33.35 C ATOM 404 C ASP A 807 10.234 17.093 -14.472 1.00 44.30 C ATOM 405 O ASP A 807 11.015 17.129 -13.522 1.00 62.23 O ATOM 406 CB ASP A 807 11.090 16.899 -16.787 1.00 11.41 C ATOM 407 CG ASP A 807 11.383 17.508 -18.160 1.00 15.12 C ATOM 408 OD1 ASP A 807 11.353 16.813 -19.186 1.00 64.30 O ATOM 409 OD2 ASP A 807 11.653 18.769 -18.150 1.00 42.45 O ATOM 0 H ASP A 807 12.450 18.612 -15.337 1.00 33.12 H new ATOM 0 HA ASP A 807 9.629 18.344 -16.146 1.00 33.35 H new ATOM 0 HB2 ASP A 807 12.010 16.464 -16.395 1.00 11.41 H new ATOM 0 HB3 ASP A 807 10.379 16.082 -16.913 1.00 11.41 H new ATOM 415 N ILE A 808 9.103 16.403 -14.488 1.00 45.33 N ATOM 416 CA ILE A 808 8.693 15.611 -13.341 1.00 43.41 C ATOM 417 C ILE A 808 8.788 14.125 -13.692 1.00 42.35 C ATOM 418 O ILE A 808 8.444 13.723 -14.803 1.00 13.13 O ATOM 419 CB ILE A 808 7.306 16.042 -12.861 1.00 1.51 C ATOM 420 CG1 ILE A 808 6.459 16.560 -14.025 1.00 41.13 C ATOM 421 CG2 ILE A 808 7.411 17.067 -11.729 1.00 64.40 C ATOM 422 CD1 ILE A 808 6.873 17.980 -14.415 1.00 40.44 C ATOM 0 H ILE A 808 8.458 16.376 -15.277 1.00 45.33 H new ATOM 0 HA ILE A 808 9.364 15.783 -12.500 1.00 43.41 H new ATOM 0 HB ILE A 808 6.798 15.166 -12.457 1.00 1.51 H new ATOM 0 HG12 ILE A 808 6.569 15.897 -14.883 1.00 41.13 H new ATOM 0 HG13 ILE A 808 5.405 16.548 -13.746 1.00 41.13 H new ATOM 0 HG21 ILE A 808 6.411 17.357 -11.406 1.00 64.40 H new ATOM 0 HG22 ILE A 808 7.950 16.628 -10.890 1.00 64.40 H new ATOM 0 HG23 ILE A 808 7.947 17.947 -12.084 1.00 64.40 H new ATOM 0 HD11 ILE A 808 6.255 18.324 -15.245 1.00 40.44 H new ATOM 0 HD12 ILE A 808 6.739 18.645 -13.562 1.00 40.44 H new ATOM 0 HD13 ILE A 808 7.920 17.984 -14.717 1.00 40.44 H new ATOM 434 N ILE A 809 9.257 13.350 -12.726 1.00 0.23 N ATOM 435 CA ILE A 809 9.402 11.917 -12.919 1.00 54.30 C ATOM 436 C ILE A 809 8.296 11.190 -12.152 1.00 32.51 C ATOM 437 O ILE A 809 8.264 11.221 -10.923 1.00 11.13 O ATOM 438 CB ILE A 809 10.813 11.465 -12.540 1.00 2.22 C ATOM 439 CG1 ILE A 809 11.794 11.710 -13.688 1.00 4.52 C ATOM 440 CG2 ILE A 809 10.817 10.005 -12.084 1.00 62.54 C ATOM 441 CD1 ILE A 809 12.291 13.158 -13.685 1.00 22.42 C ATOM 0 H ILE A 809 9.542 13.687 -11.806 1.00 0.23 H new ATOM 0 HA ILE A 809 9.283 11.660 -13.972 1.00 54.30 H new ATOM 0 HB ILE A 809 11.149 12.067 -11.696 1.00 2.22 H new ATOM 0 HG12 ILE A 809 12.642 11.031 -13.598 1.00 4.52 H new ATOM 0 HG13 ILE A 809 11.309 11.490 -14.639 1.00 4.52 H new ATOM 0 HG21 ILE A 809 11.832 9.709 -11.820 1.00 62.54 H new ATOM 0 HG22 ILE A 809 10.169 9.894 -11.214 1.00 62.54 H new ATOM 0 HG23 ILE A 809 10.452 9.371 -12.892 1.00 62.54 H new ATOM 0 HD11 ILE A 809 12.987 13.306 -14.511 1.00 22.42 H new ATOM 0 HD12 ILE A 809 11.443 13.834 -13.799 1.00 22.42 H new ATOM 0 HD13 ILE A 809 12.797 13.367 -12.742 1.00 22.42 H new ATOM 453 N LYS A 810 7.416 10.551 -12.909 1.00 60.12 N ATOM 454 CA LYS A 810 6.312 9.816 -12.316 1.00 55.30 C ATOM 455 C LYS A 810 6.857 8.593 -11.576 1.00 40.23 C ATOM 456 O LYS A 810 7.403 7.681 -12.195 1.00 50.35 O ATOM 457 CB LYS A 810 5.263 9.476 -13.377 1.00 51.30 C ATOM 458 CG LYS A 810 4.249 8.464 -12.841 1.00 33.11 C ATOM 459 CD LYS A 810 3.802 8.833 -11.425 1.00 31.21 C ATOM 460 CE LYS A 810 2.348 8.421 -11.184 1.00 23.22 C ATOM 461 NZ LYS A 810 2.229 6.946 -11.134 1.00 50.42 N ATOM 0 H LYS A 810 7.445 10.527 -13.928 1.00 60.12 H new ATOM 0 HA LYS A 810 5.798 10.432 -11.578 1.00 55.30 H new ATOM 0 HB2 LYS A 810 4.746 10.384 -13.687 1.00 51.30 H new ATOM 0 HB3 LYS A 810 5.754 9.071 -14.262 1.00 51.30 H new ATOM 0 HG2 LYS A 810 3.383 8.427 -13.502 1.00 33.11 H new ATOM 0 HG3 LYS A 810 4.691 7.468 -12.839 1.00 33.11 H new ATOM 0 HD2 LYS A 810 4.448 8.343 -10.697 1.00 31.21 H new ATOM 0 HD3 LYS A 810 3.909 9.907 -11.274 1.00 31.21 H new ATOM 0 HE2 LYS A 810 1.992 8.852 -10.249 1.00 23.22 H new ATOM 0 HE3 LYS A 810 1.715 8.816 -11.979 1.00 23.22 H new ATOM 0 HZ1 LYS A 810 1.267 6.685 -10.837 1.00 50.42 H new ATOM 0 HZ2 LYS A 810 2.419 6.550 -12.077 1.00 50.42 H new ATOM 0 HZ3 LYS A 810 2.917 6.565 -10.453 1.00 50.42 H new ATOM 474 N ILE A 811 6.690 8.613 -10.262 1.00 42.21 N ATOM 475 CA ILE A 811 7.159 7.517 -9.431 1.00 41.14 C ATOM 476 C ILE A 811 6.205 6.330 -9.575 1.00 35.05 C ATOM 477 O ILE A 811 4.987 6.506 -9.593 1.00 44.30 O ATOM 478 CB ILE A 811 7.349 7.983 -7.986 1.00 53.04 C ATOM 479 CG1 ILE A 811 8.141 9.291 -7.932 1.00 24.45 C ATOM 480 CG2 ILE A 811 7.993 6.886 -7.137 1.00 21.13 C ATOM 481 CD1 ILE A 811 9.647 9.020 -7.954 1.00 42.24 C ATOM 0 H ILE A 811 6.236 9.371 -9.752 1.00 42.21 H new ATOM 0 HA ILE A 811 8.141 7.179 -9.763 1.00 41.14 H new ATOM 0 HB ILE A 811 6.367 8.184 -7.559 1.00 53.04 H new ATOM 0 HG12 ILE A 811 7.869 9.921 -8.779 1.00 24.45 H new ATOM 0 HG13 ILE A 811 7.880 9.842 -7.028 1.00 24.45 H new ATOM 0 HG21 ILE A 811 8.117 7.243 -6.115 1.00 21.13 H new ATOM 0 HG22 ILE A 811 7.354 6.003 -7.138 1.00 21.13 H new ATOM 0 HG23 ILE A 811 8.968 6.629 -7.552 1.00 21.13 H new ATOM 0 HD11 ILE A 811 10.187 9.966 -7.915 1.00 42.24 H new ATOM 0 HD12 ILE A 811 9.920 8.410 -7.093 1.00 42.24 H new ATOM 0 HD13 ILE A 811 9.908 8.491 -8.870 1.00 42.24 H new ATOM 493 N LEU A 812 6.793 5.147 -9.672 1.00 60.12 N ATOM 494 CA LEU A 812 6.010 3.931 -9.813 1.00 61.01 C ATOM 495 C LEU A 812 6.464 2.913 -8.765 1.00 11.01 C ATOM 496 O LEU A 812 5.638 2.318 -8.074 1.00 3.43 O ATOM 497 CB LEU A 812 6.084 3.409 -11.250 1.00 4.45 C ATOM 498 CG LEU A 812 6.064 4.471 -12.351 1.00 10.53 C ATOM 499 CD1 LEU A 812 6.761 3.964 -13.615 1.00 14.12 C ATOM 500 CD2 LEU A 812 4.635 4.941 -12.633 1.00 5.32 C ATOM 0 H LEU A 812 7.803 5.004 -9.656 1.00 60.12 H new ATOM 0 HA LEU A 812 4.955 4.133 -9.626 1.00 61.01 H new ATOM 0 HB2 LEU A 812 6.996 2.822 -11.356 1.00 4.45 H new ATOM 0 HB3 LEU A 812 5.247 2.730 -11.412 1.00 4.45 H new ATOM 0 HG LEU A 812 6.625 5.337 -12.000 1.00 10.53 H new ATOM 0 HD11 LEU A 812 6.733 4.738 -14.382 1.00 14.12 H new ATOM 0 HD12 LEU A 812 7.798 3.719 -13.385 1.00 14.12 H new ATOM 0 HD13 LEU A 812 6.250 3.073 -13.980 1.00 14.12 H new ATOM 0 HD21 LEU A 812 4.649 5.696 -13.419 1.00 5.32 H new ATOM 0 HD22 LEU A 812 4.030 4.093 -12.954 1.00 5.32 H new ATOM 0 HD23 LEU A 812 4.207 5.369 -11.727 1.00 5.32 H new ATOM 512 N ASN A 813 7.775 2.744 -8.680 1.00 22.32 N ATOM 513 CA ASN A 813 8.349 1.808 -7.728 1.00 33.15 C ATOM 514 C ASN A 813 9.526 2.473 -7.011 1.00 52.03 C ATOM 515 O ASN A 813 10.297 3.208 -7.627 1.00 33.32 O ATOM 516 CB ASN A 813 8.871 0.555 -8.433 1.00 44.11 C ATOM 517 CG ASN A 813 7.800 -0.537 -8.477 1.00 5.32 C ATOM 518 OD1 ASN A 813 6.905 -0.531 -9.306 1.00 22.43 O ATOM 519 ND2 ASN A 813 7.942 -1.471 -7.541 1.00 13.23 N ATOM 0 H ASN A 813 8.457 3.239 -9.255 1.00 22.32 H new ATOM 0 HA ASN A 813 7.569 1.525 -7.022 1.00 33.15 H new ATOM 0 HB2 ASN A 813 9.180 0.807 -9.447 1.00 44.11 H new ATOM 0 HB3 ASN A 813 9.754 0.182 -7.914 1.00 44.11 H new ATOM 0 HD21 ASN A 813 7.278 -2.243 -7.486 1.00 13.23 H new ATOM 0 HD22 ASN A 813 8.715 -1.415 -6.878 1.00 13.23 H new ATOM 526 N LYS A 814 9.627 2.191 -5.721 1.00 2.54 N ATOM 527 CA LYS A 814 10.697 2.753 -4.914 1.00 3.20 C ATOM 528 C LYS A 814 11.501 1.617 -4.278 1.00 13.24 C ATOM 529 O LYS A 814 11.194 1.180 -3.169 1.00 51.25 O ATOM 530 CB LYS A 814 10.136 3.753 -3.900 1.00 62.53 C ATOM 531 CG LYS A 814 9.944 5.130 -4.537 1.00 52.24 C ATOM 532 CD LYS A 814 10.116 6.242 -3.501 1.00 12.50 C ATOM 533 CE LYS A 814 9.599 7.578 -4.039 1.00 42.23 C ATOM 534 NZ LYS A 814 9.627 8.610 -2.979 1.00 5.13 N ATOM 0 H LYS A 814 8.986 1.581 -5.214 1.00 2.54 H new ATOM 0 HA LYS A 814 11.386 3.321 -5.538 1.00 3.20 H new ATOM 0 HB2 LYS A 814 9.183 3.390 -3.515 1.00 62.53 H new ATOM 0 HB3 LYS A 814 10.813 3.833 -3.050 1.00 62.53 H new ATOM 0 HG2 LYS A 814 10.664 5.265 -5.344 1.00 52.24 H new ATOM 0 HG3 LYS A 814 8.951 5.193 -4.982 1.00 52.24 H new ATOM 0 HD2 LYS A 814 9.579 5.981 -2.589 1.00 12.50 H new ATOM 0 HD3 LYS A 814 11.169 6.336 -3.235 1.00 12.50 H new ATOM 0 HE2 LYS A 814 10.211 7.898 -4.882 1.00 42.23 H new ATOM 0 HE3 LYS A 814 8.581 7.458 -4.411 1.00 42.23 H new ATOM 0 HZ1 LYS A 814 9.403 9.538 -3.392 1.00 5.13 H new ATOM 0 HZ2 LYS A 814 8.924 8.377 -2.249 1.00 5.13 H new ATOM 0 HZ3 LYS A 814 10.574 8.641 -2.550 1.00 5.13 H new ATOM 547 N LYS A 815 12.514 1.171 -5.006 1.00 54.40 N ATOM 548 CA LYS A 815 13.363 0.095 -4.527 1.00 23.54 C ATOM 549 C LYS A 815 13.639 0.294 -3.035 1.00 32.31 C ATOM 550 O LYS A 815 13.805 -0.675 -2.296 1.00 24.41 O ATOM 551 CB LYS A 815 14.631 -0.007 -5.378 1.00 34.42 C ATOM 552 CG LYS A 815 14.419 -0.949 -6.565 1.00 42.23 C ATOM 553 CD LYS A 815 14.391 -2.409 -6.109 1.00 53.11 C ATOM 554 CE LYS A 815 15.701 -2.793 -5.419 1.00 71.51 C ATOM 555 NZ LYS A 815 15.933 -4.251 -5.524 1.00 22.44 N ATOM 0 H LYS A 815 12.766 1.536 -5.925 1.00 54.40 H new ATOM 0 HA LYS A 815 12.857 -0.865 -4.633 1.00 23.54 H new ATOM 0 HB2 LYS A 815 14.911 0.982 -5.740 1.00 34.42 H new ATOM 0 HB3 LYS A 815 15.457 -0.368 -4.765 1.00 34.42 H new ATOM 0 HG2 LYS A 815 13.483 -0.703 -7.066 1.00 42.23 H new ATOM 0 HG3 LYS A 815 15.217 -0.807 -7.293 1.00 42.23 H new ATOM 0 HD2 LYS A 815 13.557 -2.564 -5.425 1.00 53.11 H new ATOM 0 HD3 LYS A 815 14.224 -3.059 -6.968 1.00 53.11 H new ATOM 0 HE2 LYS A 815 16.531 -2.253 -5.874 1.00 71.51 H new ATOM 0 HE3 LYS A 815 15.666 -2.499 -4.370 1.00 71.51 H new ATOM 0 HZ1 LYS A 815 16.826 -4.495 -5.051 1.00 22.44 H new ATOM 0 HZ2 LYS A 815 15.149 -4.761 -5.069 1.00 22.44 H new ATOM 0 HZ3 LYS A 815 15.987 -4.523 -6.526 1.00 22.44 H new ATOM 568 N GLY A 816 13.678 1.557 -2.637 1.00 22.35 N ATOM 569 CA GLY A 816 13.931 1.895 -1.246 1.00 54.42 C ATOM 570 C GLY A 816 14.296 3.374 -1.100 1.00 30.03 C ATOM 571 O GLY A 816 14.010 4.178 -1.985 1.00 13.50 O ATOM 0 H GLY A 816 13.539 2.358 -3.253 1.00 22.35 H new ATOM 0 HA2 GLY A 816 13.047 1.674 -0.648 1.00 54.42 H new ATOM 0 HA3 GLY A 816 14.741 1.277 -0.859 1.00 54.42 H new ATOM 575 N GLN A 817 14.923 3.687 0.025 1.00 52.02 N ATOM 576 CA GLN A 817 15.330 5.055 0.299 1.00 63.43 C ATOM 577 C GLN A 817 16.817 5.238 -0.012 1.00 23.34 C ATOM 578 O GLN A 817 17.387 6.292 0.264 1.00 42.44 O ATOM 579 CB GLN A 817 15.021 5.439 1.747 1.00 50.32 C ATOM 580 CG GLN A 817 13.677 4.860 2.193 1.00 50.01 C ATOM 581 CD GLN A 817 12.513 5.617 1.550 1.00 61.35 C ATOM 582 OE1 GLN A 817 12.595 6.797 1.253 1.00 51.33 O ATOM 583 NE2 GLN A 817 11.428 4.873 1.351 1.00 2.43 N ATOM 0 H GLN A 817 15.159 3.017 0.757 1.00 52.02 H new ATOM 0 HA GLN A 817 14.759 5.721 -0.348 1.00 63.43 H new ATOM 0 HB2 GLN A 817 15.813 5.074 2.401 1.00 50.32 H new ATOM 0 HB3 GLN A 817 15.003 6.525 1.843 1.00 50.32 H new ATOM 0 HG2 GLN A 817 13.623 3.806 1.922 1.00 50.01 H new ATOM 0 HG3 GLN A 817 13.596 4.915 3.279 1.00 50.01 H new ATOM 0 HE21 GLN A 817 11.427 3.890 1.623 1.00 2.43 H new ATOM 0 HE22 GLN A 817 10.598 5.286 0.926 1.00 2.43 H new ATOM 592 N GLN A 818 17.403 4.194 -0.580 1.00 43.33 N ATOM 593 CA GLN A 818 18.813 4.227 -0.931 1.00 20.21 C ATOM 594 C GLN A 818 19.056 3.448 -2.225 1.00 62.11 C ATOM 595 O GLN A 818 18.962 2.222 -2.243 1.00 32.42 O ATOM 596 CB GLN A 818 19.674 3.679 0.209 1.00 62.02 C ATOM 597 CG GLN A 818 19.779 4.690 1.352 1.00 12.41 C ATOM 598 CD GLN A 818 20.829 5.760 1.044 1.00 72.33 C ATOM 599 OE1 GLN A 818 21.673 5.606 0.176 1.00 34.00 O ATOM 600 NE2 GLN A 818 20.730 6.849 1.801 1.00 61.15 N ATOM 0 H GLN A 818 16.927 3.320 -0.806 1.00 43.33 H new ATOM 0 HA GLN A 818 19.103 5.265 -1.095 1.00 20.21 H new ATOM 0 HB2 GLN A 818 19.243 2.749 0.580 1.00 62.02 H new ATOM 0 HB3 GLN A 818 20.670 3.442 -0.164 1.00 62.02 H new ATOM 0 HG2 GLN A 818 18.810 5.162 1.514 1.00 12.41 H new ATOM 0 HG3 GLN A 818 20.041 4.174 2.276 1.00 12.41 H new ATOM 0 HE21 GLN A 818 19.999 6.913 2.510 1.00 61.15 H new ATOM 0 HE22 GLN A 818 21.385 7.621 1.673 1.00 61.15 H new ATOM 609 N GLY A 819 19.365 4.192 -3.277 1.00 54.00 N ATOM 610 CA GLY A 819 19.622 3.586 -4.573 1.00 1.45 C ATOM 611 C GLY A 819 19.073 4.458 -5.704 1.00 31.20 C ATOM 612 O GLY A 819 19.605 5.532 -5.979 1.00 63.14 O ATOM 0 H GLY A 819 19.443 5.209 -3.259 1.00 54.00 H new ATOM 0 HA2 GLY A 819 20.695 3.444 -4.706 1.00 1.45 H new ATOM 0 HA3 GLY A 819 19.162 2.598 -4.614 1.00 1.45 H new ATOM 616 N TRP A 820 18.015 3.963 -6.329 1.00 71.40 N ATOM 617 CA TRP A 820 17.388 4.683 -7.424 1.00 72.44 C ATOM 618 C TRP A 820 15.875 4.485 -7.315 1.00 74.44 C ATOM 619 O TRP A 820 15.405 3.701 -6.491 1.00 42.24 O ATOM 620 CB TRP A 820 17.954 4.232 -8.772 1.00 61.22 C ATOM 621 CG TRP A 820 17.747 2.745 -9.069 1.00 14.15 C ATOM 622 CD1 TRP A 820 17.072 1.845 -8.340 1.00 53.15 C ATOM 623 CD2 TRP A 820 18.248 2.018 -10.210 1.00 31.22 C ATOM 624 NE1 TRP A 820 17.101 0.596 -8.926 1.00 62.14 N ATOM 625 CE2 TRP A 820 17.839 0.704 -10.099 1.00 41.44 C ATOM 626 CE3 TRP A 820 19.021 2.455 -11.300 1.00 1.34 C ATOM 627 CZ2 TRP A 820 18.155 -0.279 -11.044 1.00 42.15 C ATOM 628 CZ3 TRP A 820 19.329 1.460 -12.235 1.00 54.34 C ATOM 629 CH2 TRP A 820 18.925 0.134 -12.139 1.00 32.14 C ATOM 0 H TRP A 820 17.576 3.072 -6.098 1.00 71.40 H new ATOM 0 HA TRP A 820 17.605 5.749 -7.359 1.00 72.44 H new ATOM 0 HB2 TRP A 820 17.488 4.818 -9.564 1.00 61.22 H new ATOM 0 HB3 TRP A 820 19.021 4.452 -8.798 1.00 61.22 H new ATOM 0 HD1 TRP A 820 16.569 2.069 -7.411 1.00 53.15 H new ATOM 0 HE1 TRP A 820 16.662 -0.251 -8.565 1.00 62.14 H new ATOM 0 HE3 TRP A 820 19.351 3.478 -11.407 1.00 1.34 H new ATOM 0 HZ2 TRP A 820 17.823 -1.301 -10.935 1.00 42.15 H new ATOM 0 HZ3 TRP A 820 19.923 1.743 -13.092 1.00 54.34 H new ATOM 0 HH2 TRP A 820 19.203 -0.575 -12.905 1.00 32.14 H new ATOM 640 N TRP A 821 15.153 5.208 -8.159 1.00 1.24 N ATOM 641 CA TRP A 821 13.703 5.122 -8.167 1.00 54.04 C ATOM 642 C TRP A 821 13.256 4.808 -9.597 1.00 3.31 C ATOM 643 O TRP A 821 13.789 5.368 -10.554 1.00 55.02 O ATOM 644 CB TRP A 821 13.074 6.401 -7.612 1.00 50.51 C ATOM 645 CG TRP A 821 13.216 6.557 -6.097 1.00 14.53 C ATOM 646 CD1 TRP A 821 13.207 5.595 -5.164 1.00 14.52 C ATOM 647 CD2 TRP A 821 13.389 7.793 -5.372 1.00 41.50 C ATOM 648 NE1 TRP A 821 13.361 6.119 -3.896 1.00 71.21 N ATOM 649 CE2 TRP A 821 13.475 7.498 -4.027 1.00 25.11 C ATOM 650 CE3 TRP A 821 13.470 9.118 -5.838 1.00 25.41 C ATOM 651 CZ2 TRP A 821 13.647 8.473 -3.037 1.00 45.02 C ATOM 652 CZ3 TRP A 821 13.642 10.080 -4.836 1.00 43.52 C ATOM 653 CH2 TRP A 821 13.731 9.799 -3.478 1.00 10.21 C ATOM 0 H TRP A 821 15.546 5.856 -8.842 1.00 1.24 H new ATOM 0 HA TRP A 821 13.361 4.322 -7.511 1.00 54.04 H new ATOM 0 HB2 TRP A 821 13.533 7.261 -8.100 1.00 50.51 H new ATOM 0 HB3 TRP A 821 12.015 6.415 -7.871 1.00 50.51 H new ATOM 0 HD1 TRP A 821 13.094 4.542 -5.377 1.00 14.52 H new ATOM 0 HE1 TRP A 821 13.386 5.591 -3.024 1.00 71.21 H new ATOM 0 HE3 TRP A 821 13.405 9.373 -6.886 1.00 25.41 H new ATOM 0 HZ2 TRP A 821 13.711 8.216 -1.990 1.00 45.02 H new ATOM 0 HZ3 TRP A 821 13.710 11.114 -5.140 1.00 43.52 H new ATOM 0 HH2 TRP A 821 13.864 10.600 -2.766 1.00 10.21 H new ATOM 664 N ARG A 822 12.284 3.914 -9.696 1.00 55.32 N ATOM 665 CA ARG A 822 11.760 3.519 -10.993 1.00 14.43 C ATOM 666 C ARG A 822 10.507 4.331 -11.328 1.00 75.34 C ATOM 667 O ARG A 822 9.438 4.088 -10.770 1.00 53.11 O ATOM 668 CB ARG A 822 11.415 2.029 -11.017 1.00 23.22 C ATOM 669 CG ARG A 822 11.463 1.478 -12.444 1.00 13.15 C ATOM 670 CD ARG A 822 10.095 1.590 -13.120 1.00 41.43 C ATOM 671 NE ARG A 822 9.298 0.371 -12.856 1.00 43.55 N ATOM 672 CZ ARG A 822 9.433 -0.784 -13.542 1.00 54.31 C ATOM 673 NH1 ARG A 822 10.335 -0.887 -14.541 1.00 3.14 N ATOM 674 NH2 ARG A 822 8.668 -1.811 -13.222 1.00 12.33 N ATOM 0 H ARG A 822 11.845 3.452 -8.900 1.00 55.32 H new ATOM 0 HA ARG A 822 12.533 3.713 -11.736 1.00 14.43 H new ATOM 0 HB2 ARG A 822 12.115 1.480 -10.388 1.00 23.22 H new ATOM 0 HB3 ARG A 822 10.421 1.875 -10.597 1.00 23.22 H new ATOM 0 HG2 ARG A 822 12.206 2.025 -13.024 1.00 13.15 H new ATOM 0 HG3 ARG A 822 11.779 0.435 -12.425 1.00 13.15 H new ATOM 0 HD2 ARG A 822 9.567 2.468 -12.747 1.00 41.43 H new ATOM 0 HD3 ARG A 822 10.221 1.726 -14.194 1.00 41.43 H new ATOM 0 HE ARG A 822 8.604 0.406 -12.110 1.00 43.55 H new ATOM 0 HH11 ARG A 822 10.921 -0.088 -14.783 1.00 3.14 H new ATOM 0 HH12 ARG A 822 10.430 -1.764 -15.054 1.00 3.14 H new ATOM 0 HH21 ARG A 822 7.988 -1.725 -12.467 1.00 12.33 H new ATOM 0 HH22 ARG A 822 8.757 -2.691 -13.730 1.00 12.33 H new ATOM 687 N GLY A 823 10.680 5.277 -12.239 1.00 13.52 N ATOM 688 CA GLY A 823 9.576 6.126 -12.655 1.00 61.15 C ATOM 689 C GLY A 823 9.410 6.102 -14.176 1.00 73.22 C ATOM 690 O GLY A 823 9.794 5.134 -14.831 1.00 42.10 O ATOM 0 H GLY A 823 11.568 5.475 -12.701 1.00 13.52 H new ATOM 0 HA2 GLY A 823 8.655 5.790 -12.180 1.00 61.15 H new ATOM 0 HA3 GLY A 823 9.753 7.148 -12.321 1.00 61.15 H new ATOM 694 N GLU A 824 8.836 7.178 -14.694 1.00 2.11 N ATOM 695 CA GLU A 824 8.614 7.293 -16.125 1.00 62.43 C ATOM 696 C GLU A 824 8.314 8.745 -16.501 1.00 74.14 C ATOM 697 O GLU A 824 7.910 9.539 -15.653 1.00 25.12 O ATOM 698 CB GLU A 824 7.487 6.364 -16.581 1.00 63.34 C ATOM 699 CG GLU A 824 6.906 6.823 -17.920 1.00 13.32 C ATOM 700 CD GLU A 824 5.777 5.896 -18.375 1.00 22.43 C ATOM 701 OE1 GLU A 824 5.979 5.071 -19.279 1.00 12.23 O ATOM 702 OE2 GLU A 824 4.658 6.053 -17.752 1.00 61.55 O ATOM 0 H GLU A 824 8.518 7.978 -14.148 1.00 2.11 H new ATOM 0 HA GLU A 824 9.524 6.986 -16.640 1.00 62.43 H new ATOM 0 HB2 GLU A 824 7.865 5.346 -16.675 1.00 63.34 H new ATOM 0 HB3 GLU A 824 6.700 6.344 -15.827 1.00 63.34 H new ATOM 0 HG2 GLU A 824 6.530 7.842 -17.827 1.00 13.32 H new ATOM 0 HG3 GLU A 824 7.692 6.841 -18.674 1.00 13.32 H new ATOM 710 N ILE A 825 8.521 9.048 -17.774 1.00 43.23 N ATOM 711 CA ILE A 825 8.278 10.391 -18.273 1.00 54.00 C ATOM 712 C ILE A 825 7.894 10.319 -19.752 1.00 42.14 C ATOM 713 O ILE A 825 8.583 9.679 -20.545 1.00 74.54 O ATOM 714 CB ILE A 825 9.481 11.293 -17.993 1.00 0.33 C ATOM 715 CG1 ILE A 825 9.469 11.790 -16.546 1.00 14.23 C ATOM 716 CG2 ILE A 825 9.546 12.448 -18.995 1.00 32.13 C ATOM 717 CD1 ILE A 825 10.411 12.982 -16.367 1.00 53.52 C ATOM 0 H ILE A 825 8.854 8.386 -18.475 1.00 43.23 H new ATOM 0 HA ILE A 825 7.439 10.847 -17.747 1.00 54.00 H new ATOM 0 HB ILE A 825 10.388 10.702 -18.123 1.00 0.33 H new ATOM 0 HG12 ILE A 825 8.456 12.077 -16.265 1.00 14.23 H new ATOM 0 HG13 ILE A 825 9.768 10.982 -15.878 1.00 14.23 H new ATOM 0 HG21 ILE A 825 10.410 13.074 -18.773 1.00 32.13 H new ATOM 0 HG22 ILE A 825 9.637 12.049 -20.005 1.00 32.13 H new ATOM 0 HG23 ILE A 825 8.637 13.045 -18.921 1.00 32.13 H new ATOM 0 HD11 ILE A 825 10.383 13.315 -15.330 1.00 53.52 H new ATOM 0 HD12 ILE A 825 11.427 12.685 -16.625 1.00 53.52 H new ATOM 0 HD13 ILE A 825 10.095 13.797 -17.018 1.00 53.52 H new ATOM 729 N TYR A 826 6.797 10.985 -20.079 1.00 53.44 N ATOM 730 CA TYR A 826 6.313 11.005 -21.450 1.00 4.14 C ATOM 731 C TYR A 826 6.049 9.587 -21.958 1.00 73.52 C ATOM 732 O TYR A 826 6.026 9.350 -23.165 1.00 62.00 O ATOM 733 CB TYR A 826 7.433 11.632 -22.283 1.00 1.03 C ATOM 734 CG TYR A 826 7.921 12.982 -21.753 1.00 62.04 C ATOM 735 CD1 TYR A 826 7.109 13.735 -20.930 1.00 20.10 C ATOM 736 CD2 TYR A 826 9.174 13.447 -22.100 1.00 32.15 C ATOM 737 CE1 TYR A 826 7.568 15.006 -20.432 1.00 24.51 C ATOM 738 CE2 TYR A 826 9.633 14.718 -21.601 1.00 62.54 C ATOM 739 CZ TYR A 826 8.808 15.434 -20.792 1.00 52.12 C ATOM 740 OH TYR A 826 9.242 16.634 -20.322 1.00 13.12 O ATOM 0 H TYR A 826 6.229 11.515 -19.419 1.00 53.44 H new ATOM 0 HA TYR A 826 5.378 11.562 -21.519 1.00 4.14 H new ATOM 0 HB2 TYR A 826 8.275 10.941 -22.319 1.00 1.03 H new ATOM 0 HB3 TYR A 826 7.082 11.760 -23.307 1.00 1.03 H new ATOM 0 HD1 TYR A 826 6.129 13.371 -20.659 1.00 20.10 H new ATOM 0 HD2 TYR A 826 9.809 12.858 -22.745 1.00 32.15 H new ATOM 0 HE1 TYR A 826 6.942 15.606 -19.788 1.00 24.51 H new ATOM 0 HE2 TYR A 826 10.611 15.094 -21.864 1.00 62.54 H new ATOM 0 HH TYR A 826 10.217 16.616 -20.230 1.00 13.12 H new ATOM 750 N GLY A 827 5.855 8.680 -21.012 1.00 31.40 N ATOM 751 CA GLY A 827 5.593 7.291 -21.349 1.00 73.30 C ATOM 752 C GLY A 827 6.898 6.506 -21.494 1.00 30.43 C ATOM 753 O GLY A 827 6.908 5.407 -22.047 1.00 52.33 O ATOM 0 H GLY A 827 5.874 8.880 -20.012 1.00 31.40 H new ATOM 0 HA2 GLY A 827 4.975 6.836 -20.575 1.00 73.30 H new ATOM 0 HA3 GLY A 827 5.028 7.239 -22.280 1.00 73.30 H new ATOM 757 N ARG A 828 7.968 7.100 -20.986 1.00 71.21 N ATOM 758 CA ARG A 828 9.276 6.470 -21.052 1.00 34.12 C ATOM 759 C ARG A 828 9.691 5.964 -19.669 1.00 70.40 C ATOM 760 O ARG A 828 9.886 6.754 -18.747 1.00 52.43 O ATOM 761 CB ARG A 828 10.333 7.448 -21.568 1.00 12.01 C ATOM 762 CG ARG A 828 9.992 7.929 -22.980 1.00 12.33 C ATOM 763 CD ARG A 828 11.237 8.455 -23.696 1.00 5.55 C ATOM 764 NE ARG A 828 11.054 8.368 -25.161 1.00 71.44 N ATOM 765 CZ ARG A 828 10.290 9.217 -25.881 1.00 1.02 C ATOM 766 NH1 ARG A 828 9.631 10.227 -25.274 1.00 41.13 N ATOM 767 NH2 ARG A 828 10.197 9.045 -27.186 1.00 42.03 N ATOM 0 H ARG A 828 7.956 8.011 -20.527 1.00 71.21 H new ATOM 0 HA ARG A 828 9.206 5.631 -21.744 1.00 34.12 H new ATOM 0 HB2 ARG A 828 10.402 8.303 -20.895 1.00 12.01 H new ATOM 0 HB3 ARG A 828 11.310 6.965 -21.571 1.00 12.01 H new ATOM 0 HG2 ARG A 828 9.558 7.109 -23.552 1.00 12.33 H new ATOM 0 HG3 ARG A 828 9.239 8.715 -22.928 1.00 12.33 H new ATOM 0 HD2 ARG A 828 11.424 9.489 -23.406 1.00 5.55 H new ATOM 0 HD3 ARG A 828 12.111 7.877 -23.396 1.00 5.55 H new ATOM 0 HE ARG A 828 11.535 7.619 -25.659 1.00 71.44 H new ATOM 0 HH11 ARG A 828 9.708 10.353 -24.265 1.00 41.13 H new ATOM 0 HH12 ARG A 828 9.056 10.864 -25.825 1.00 41.13 H new ATOM 0 HH21 ARG A 828 10.698 8.279 -27.636 1.00 42.03 H new ATOM 0 HH22 ARG A 828 9.624 9.678 -27.744 1.00 42.03 H new ATOM 780 N ILE A 829 9.814 4.648 -19.568 1.00 44.31 N ATOM 781 CA ILE A 829 10.203 4.027 -18.313 1.00 40.23 C ATOM 782 C ILE A 829 11.730 3.972 -18.228 1.00 14.11 C ATOM 783 O ILE A 829 12.413 3.993 -19.250 1.00 63.32 O ATOM 784 CB ILE A 829 9.529 2.662 -18.160 1.00 12.45 C ATOM 785 CG1 ILE A 829 8.012 2.779 -18.319 1.00 54.35 C ATOM 786 CG2 ILE A 829 9.916 2.006 -16.833 1.00 64.31 C ATOM 787 CD1 ILE A 829 7.335 3.026 -16.969 1.00 44.44 C ATOM 0 H ILE A 829 9.651 3.995 -20.335 1.00 44.31 H new ATOM 0 HA ILE A 829 9.858 4.624 -17.469 1.00 40.23 H new ATOM 0 HB ILE A 829 9.888 2.012 -18.958 1.00 12.45 H new ATOM 0 HG12 ILE A 829 7.777 3.595 -19.002 1.00 54.35 H new ATOM 0 HG13 ILE A 829 7.618 1.866 -18.765 1.00 54.35 H new ATOM 0 HG21 ILE A 829 9.424 1.037 -16.749 1.00 64.31 H new ATOM 0 HG22 ILE A 829 10.997 1.868 -16.797 1.00 64.31 H new ATOM 0 HG23 ILE A 829 9.604 2.645 -16.007 1.00 64.31 H new ATOM 0 HD11 ILE A 829 6.257 3.105 -17.112 1.00 44.44 H new ATOM 0 HD12 ILE A 829 7.552 2.197 -16.296 1.00 44.44 H new ATOM 0 HD13 ILE A 829 7.713 3.953 -16.537 1.00 44.44 H new ATOM 799 N GLY A 830 12.220 3.903 -16.999 1.00 15.02 N ATOM 800 CA GLY A 830 13.653 3.845 -16.767 1.00 33.24 C ATOM 801 C GLY A 830 13.969 3.920 -15.272 1.00 25.04 C ATOM 802 O GLY A 830 13.070 3.829 -14.437 1.00 61.05 O ATOM 0 H GLY A 830 11.650 3.886 -16.153 1.00 15.02 H new ATOM 0 HA2 GLY A 830 14.055 2.921 -17.182 1.00 33.24 H new ATOM 0 HA3 GLY A 830 14.143 4.668 -17.288 1.00 33.24 H new ATOM 806 N TRP A 831 15.251 4.085 -14.978 1.00 51.44 N ATOM 807 CA TRP A 831 15.698 4.174 -13.598 1.00 75.15 C ATOM 808 C TRP A 831 16.532 5.448 -13.452 1.00 52.13 C ATOM 809 O TRP A 831 17.236 5.843 -14.380 1.00 63.01 O ATOM 810 CB TRP A 831 16.457 2.912 -13.186 1.00 61.51 C ATOM 811 CG TRP A 831 15.614 1.636 -13.230 1.00 70.53 C ATOM 812 CD1 TRP A 831 15.215 0.947 -14.309 1.00 1.23 C ATOM 813 CD2 TRP A 831 15.079 0.919 -12.098 1.00 21.33 C ATOM 814 NE1 TRP A 831 14.465 -0.156 -13.955 1.00 62.25 N ATOM 815 CE2 TRP A 831 14.380 -0.174 -12.568 1.00 61.12 C ATOM 816 CE3 TRP A 831 15.183 1.185 -10.721 1.00 32.20 C ATOM 817 CZ2 TRP A 831 13.730 -1.088 -11.730 1.00 5.35 C ATOM 818 CZ3 TRP A 831 14.528 0.262 -9.896 1.00 50.41 C ATOM 819 CH2 TRP A 831 13.820 -0.843 -10.354 1.00 40.41 C ATOM 0 H TRP A 831 15.994 4.159 -15.672 1.00 51.44 H new ATOM 0 HA TRP A 831 14.847 4.236 -12.920 1.00 75.15 H new ATOM 0 HB2 TRP A 831 17.319 2.788 -13.842 1.00 61.51 H new ATOM 0 HB3 TRP A 831 16.842 3.046 -12.175 1.00 61.51 H new ATOM 0 HD1 TRP A 831 15.451 1.221 -15.327 1.00 1.23 H new ATOM 0 HE1 TRP A 831 14.049 -0.834 -14.594 1.00 62.25 H new ATOM 0 HE3 TRP A 831 15.725 2.034 -10.331 1.00 32.20 H new ATOM 0 HZ2 TRP A 831 13.189 -1.936 -12.123 1.00 5.35 H new ATOM 0 HZ3 TRP A 831 14.576 0.420 -8.829 1.00 50.41 H new ATOM 0 HH2 TRP A 831 13.341 -1.510 -9.652 1.00 40.41 H new ATOM 830 N PHE A 832 16.425 6.056 -12.280 1.00 55.11 N ATOM 831 CA PHE A 832 17.160 7.278 -12.000 1.00 63.45 C ATOM 832 C PHE A 832 17.481 7.395 -10.509 1.00 50.31 C ATOM 833 O PHE A 832 16.743 6.882 -9.669 1.00 50.44 O ATOM 834 CB PHE A 832 16.261 8.445 -12.410 1.00 54.32 C ATOM 835 CG PHE A 832 14.951 8.527 -11.624 1.00 13.42 C ATOM 836 CD1 PHE A 832 13.920 7.694 -11.930 1.00 43.52 C ATOM 837 CD2 PHE A 832 14.817 9.433 -10.618 1.00 50.21 C ATOM 838 CE1 PHE A 832 12.705 7.771 -11.200 1.00 74.43 C ATOM 839 CE2 PHE A 832 13.601 9.509 -9.888 1.00 44.33 C ATOM 840 CZ PHE A 832 12.571 8.676 -10.195 1.00 12.53 C ATOM 0 H PHE A 832 15.840 5.725 -11.513 1.00 55.11 H new ATOM 0 HA PHE A 832 18.102 7.279 -12.548 1.00 63.45 H new ATOM 0 HB2 PHE A 832 16.811 9.377 -12.279 1.00 54.32 H new ATOM 0 HB3 PHE A 832 16.031 8.357 -13.472 1.00 54.32 H new ATOM 0 HD1 PHE A 832 14.026 6.974 -12.728 1.00 43.52 H new ATOM 0 HD2 PHE A 832 15.635 10.094 -10.374 1.00 50.21 H new ATOM 0 HE1 PHE A 832 11.886 7.110 -11.443 1.00 74.43 H new ATOM 0 HE2 PHE A 832 13.494 10.228 -9.089 1.00 44.33 H new ATOM 0 HZ PHE A 832 11.646 8.734 -9.640 1.00 12.53 H new ATOM 850 N PRO A 833 18.612 8.092 -10.218 1.00 21.13 N ATOM 851 CA PRO A 833 19.040 8.283 -8.842 1.00 54.43 C ATOM 852 C PRO A 833 18.173 9.330 -8.139 1.00 74.12 C ATOM 853 O PRO A 833 17.699 10.274 -8.770 1.00 30.13 O ATOM 854 CB PRO A 833 20.501 8.690 -8.938 1.00 22.14 C ATOM 855 CG PRO A 833 20.710 9.161 -10.367 1.00 43.44 C ATOM 856 CD PRO A 833 19.511 8.713 -11.186 1.00 53.22 C ATOM 0 HA PRO A 833 18.930 7.382 -8.238 1.00 54.43 H new ATOM 0 HB2 PRO A 833 20.733 9.484 -8.228 1.00 22.14 H new ATOM 0 HB3 PRO A 833 21.156 7.851 -8.704 1.00 22.14 H new ATOM 0 HG2 PRO A 833 20.811 10.246 -10.400 1.00 43.44 H new ATOM 0 HG3 PRO A 833 21.630 8.742 -10.776 1.00 43.44 H new ATOM 0 HD2 PRO A 833 19.034 9.557 -11.684 1.00 53.22 H new ATOM 0 HD3 PRO A 833 19.804 8.008 -11.964 1.00 53.22 H new ATOM 864 N SER A 834 17.991 9.127 -6.843 1.00 3.14 N ATOM 865 CA SER A 834 17.190 10.041 -6.047 1.00 13.40 C ATOM 866 C SER A 834 18.044 11.226 -5.592 1.00 42.21 C ATOM 867 O SER A 834 17.576 12.084 -4.845 1.00 35.41 O ATOM 868 CB SER A 834 16.581 9.330 -4.837 1.00 3.12 C ATOM 869 OG SER A 834 16.239 10.243 -3.798 1.00 14.14 O ATOM 0 H SER A 834 18.385 8.342 -6.324 1.00 3.14 H new ATOM 0 HA SER A 834 16.373 10.408 -6.668 1.00 13.40 H new ATOM 0 HB2 SER A 834 15.690 8.784 -5.148 1.00 3.12 H new ATOM 0 HB3 SER A 834 17.289 8.594 -4.455 1.00 3.12 H new ATOM 0 HG SER A 834 15.268 10.378 -3.788 1.00 14.14 H new ATOM 875 N ASN A 835 19.283 11.236 -6.062 1.00 11.21 N ATOM 876 CA ASN A 835 20.207 12.302 -5.713 1.00 22.32 C ATOM 877 C ASN A 835 20.189 13.367 -6.811 1.00 14.24 C ATOM 878 O ASN A 835 20.714 14.464 -6.625 1.00 72.11 O ATOM 879 CB ASN A 835 21.638 11.772 -5.592 1.00 14.41 C ATOM 880 CG ASN A 835 21.760 10.783 -4.432 1.00 32.53 C ATOM 881 OD1 ASN A 835 21.010 10.818 -3.470 1.00 4.45 O ATOM 882 ND2 ASN A 835 22.744 9.899 -4.575 1.00 54.35 N ATOM 0 H ASN A 835 19.668 10.523 -6.681 1.00 11.21 H new ATOM 0 HA ASN A 835 19.894 12.720 -4.756 1.00 22.32 H new ATOM 0 HB2 ASN A 835 21.929 11.284 -6.522 1.00 14.41 H new ATOM 0 HB3 ASN A 835 22.326 12.604 -5.439 1.00 14.41 H new ATOM 0 HD21 ASN A 835 22.906 9.196 -3.854 1.00 54.35 H new ATOM 0 HD22 ASN A 835 23.336 9.925 -5.405 1.00 54.35 H new ATOM 889 N TYR A 836 19.578 13.007 -7.930 1.00 1.10 N ATOM 890 CA TYR A 836 19.484 13.919 -9.058 1.00 21.43 C ATOM 891 C TYR A 836 18.044 14.394 -9.260 1.00 11.33 C ATOM 892 O TYR A 836 17.781 15.247 -10.106 1.00 60.25 O ATOM 893 CB TYR A 836 19.921 13.117 -10.285 1.00 73.14 C ATOM 894 CG TYR A 836 21.435 12.933 -10.402 1.00 61.00 C ATOM 895 CD1 TYR A 836 22.147 12.389 -9.353 1.00 30.54 C ATOM 896 CD2 TYR A 836 22.089 13.312 -11.557 1.00 23.51 C ATOM 897 CE1 TYR A 836 23.572 12.215 -9.462 1.00 43.44 C ATOM 898 CE2 TYR A 836 23.515 13.138 -11.667 1.00 14.43 C ATOM 899 CZ TYR A 836 24.186 12.599 -10.614 1.00 72.11 C ATOM 900 OH TYR A 836 25.532 12.435 -10.718 1.00 11.42 O ATOM 0 H TYR A 836 19.143 12.097 -8.080 1.00 1.10 H new ATOM 0 HA TYR A 836 20.103 14.801 -8.892 1.00 21.43 H new ATOM 0 HB2 TYR A 836 19.448 12.136 -10.252 1.00 73.14 H new ATOM 0 HB3 TYR A 836 19.556 13.617 -11.182 1.00 73.14 H new ATOM 0 HD1 TYR A 836 21.635 12.093 -8.449 1.00 30.54 H new ATOM 0 HD2 TYR A 836 21.532 13.739 -12.378 1.00 23.51 H new ATOM 0 HE1 TYR A 836 24.140 11.790 -8.648 1.00 43.44 H new ATOM 0 HE2 TYR A 836 24.039 13.429 -12.565 1.00 14.43 H new ATOM 0 HH TYR A 836 25.833 12.752 -11.595 1.00 11.42 H new ATOM 910 N VAL A 837 17.149 13.822 -8.468 1.00 0.33 N ATOM 911 CA VAL A 837 15.742 14.177 -8.549 1.00 3.10 C ATOM 912 C VAL A 837 15.270 14.686 -7.186 1.00 14.13 C ATOM 913 O VAL A 837 16.046 14.731 -6.233 1.00 11.03 O ATOM 914 CB VAL A 837 14.930 12.984 -9.056 1.00 60.30 C ATOM 915 CG1 VAL A 837 15.453 12.500 -10.410 1.00 24.23 C ATOM 916 CG2 VAL A 837 14.927 11.848 -8.031 1.00 72.42 C ATOM 0 H VAL A 837 17.371 13.115 -7.767 1.00 0.33 H new ATOM 0 HA VAL A 837 15.592 14.983 -9.267 1.00 3.10 H new ATOM 0 HB VAL A 837 13.900 13.314 -9.194 1.00 60.30 H new ATOM 0 HG11 VAL A 837 14.858 11.651 -10.748 1.00 24.23 H new ATOM 0 HG12 VAL A 837 15.379 13.308 -11.138 1.00 24.23 H new ATOM 0 HG13 VAL A 837 16.495 12.196 -10.310 1.00 24.23 H new ATOM 0 HG21 VAL A 837 14.343 11.012 -8.416 1.00 72.42 H new ATOM 0 HG22 VAL A 837 15.950 11.521 -7.847 1.00 72.42 H new ATOM 0 HG23 VAL A 837 14.486 12.200 -7.099 1.00 72.42 H new ATOM 926 N GLU A 838 13.999 15.057 -7.136 1.00 74.25 N ATOM 927 CA GLU A 838 13.413 15.561 -5.906 1.00 22.12 C ATOM 928 C GLU A 838 11.914 15.256 -5.867 1.00 64.21 C ATOM 929 O GLU A 838 11.183 15.602 -6.793 1.00 72.34 O ATOM 930 CB GLU A 838 13.672 17.061 -5.750 1.00 34.31 C ATOM 931 CG GLU A 838 15.172 17.355 -5.689 1.00 12.22 C ATOM 932 CD GLU A 838 15.430 18.796 -5.243 1.00 30.25 C ATOM 933 OE1 GLU A 838 14.538 19.650 -5.357 1.00 30.52 O ATOM 934 OE2 GLU A 838 16.607 19.015 -4.761 1.00 74.22 O ATOM 0 H GLU A 838 13.358 15.018 -7.929 1.00 74.25 H new ATOM 0 HA GLU A 838 13.888 15.054 -5.066 1.00 22.12 H new ATOM 0 HB2 GLU A 838 13.226 17.600 -6.586 1.00 34.31 H new ATOM 0 HB3 GLU A 838 13.189 17.425 -4.843 1.00 34.31 H new ATOM 0 HG2 GLU A 838 15.654 16.664 -4.997 1.00 12.22 H new ATOM 0 HG3 GLU A 838 15.619 17.188 -6.669 1.00 12.22 H new ATOM 942 N GLU A 839 11.502 14.611 -4.785 1.00 51.35 N ATOM 943 CA GLU A 839 10.103 14.256 -4.614 1.00 24.21 C ATOM 944 C GLU A 839 9.523 14.962 -3.387 1.00 51.11 C ATOM 945 O GLU A 839 10.245 15.637 -2.655 1.00 63.12 O ATOM 946 CB GLU A 839 9.933 12.739 -4.506 1.00 15.35 C ATOM 947 CG GLU A 839 11.035 12.124 -3.641 1.00 34.31 C ATOM 948 CD GLU A 839 11.093 12.795 -2.267 1.00 35.50 C ATOM 949 OE1 GLU A 839 12.076 13.482 -1.954 1.00 30.34 O ATOM 950 OE2 GLU A 839 10.068 12.582 -1.513 1.00 14.21 O ATOM 0 H GLU A 839 12.112 14.325 -4.019 1.00 51.35 H new ATOM 0 HA GLU A 839 9.552 14.589 -5.494 1.00 24.21 H new ATOM 0 HB2 GLU A 839 8.958 12.508 -4.077 1.00 15.35 H new ATOM 0 HB3 GLU A 839 9.957 12.295 -5.501 1.00 15.35 H new ATOM 0 HG2 GLU A 839 10.854 11.056 -3.521 1.00 34.31 H new ATOM 0 HG3 GLU A 839 11.997 12.230 -4.142 1.00 34.31 H new ATOM 958 N ASP A 840 8.224 14.782 -3.200 1.00 54.52 N ATOM 959 CA ASP A 840 7.538 15.394 -2.075 1.00 12.13 C ATOM 960 C ASP A 840 8.064 16.817 -1.875 1.00 35.03 C ATOM 961 O ASP A 840 8.188 17.283 -0.743 1.00 53.43 O ATOM 962 CB ASP A 840 7.790 14.611 -0.785 1.00 10.34 C ATOM 963 CG ASP A 840 6.888 14.993 0.391 1.00 52.44 C ATOM 964 OD1 ASP A 840 7.120 14.578 1.536 1.00 43.14 O ATOM 965 OD2 ASP A 840 5.896 15.762 0.089 1.00 25.04 O ATOM 0 H ASP A 840 7.628 14.221 -3.809 1.00 54.52 H new ATOM 0 HA ASP A 840 6.470 15.397 -2.292 1.00 12.13 H new ATOM 0 HB2 ASP A 840 7.661 13.549 -0.992 1.00 10.34 H new ATOM 0 HB3 ASP A 840 8.829 14.754 -0.488 1.00 10.34 H new ATOM 971 N TYR A 841 8.358 17.467 -2.991 1.00 23.01 N ATOM 972 CA TYR A 841 8.868 18.827 -2.953 1.00 12.24 C ATOM 973 C TYR A 841 7.724 19.843 -2.987 1.00 73.53 C ATOM 974 O TYR A 841 6.717 19.625 -3.659 1.00 55.41 O ATOM 975 CB TYR A 841 9.720 18.994 -4.212 1.00 61.12 C ATOM 976 CG TYR A 841 8.991 18.635 -5.509 1.00 2.14 C ATOM 977 CD1 TYR A 841 8.227 19.585 -6.156 1.00 64.35 C ATOM 978 CD2 TYR A 841 9.097 17.362 -6.030 1.00 64.23 C ATOM 979 CE1 TYR A 841 7.541 19.247 -7.377 1.00 23.03 C ATOM 980 CE2 TYR A 841 8.411 17.024 -7.250 1.00 44.15 C ATOM 981 CZ TYR A 841 7.667 17.983 -7.863 1.00 43.35 C ATOM 982 OH TYR A 841 7.019 17.664 -9.016 1.00 3.41 O ATOM 0 H TYR A 841 8.253 17.077 -3.928 1.00 23.01 H new ATOM 0 HA TYR A 841 9.436 18.998 -2.039 1.00 12.24 H new ATOM 0 HB2 TYR A 841 10.061 20.027 -4.273 1.00 61.12 H new ATOM 0 HB3 TYR A 841 10.609 18.370 -4.122 1.00 61.12 H new ATOM 0 HD1 TYR A 841 8.143 20.581 -5.747 1.00 64.35 H new ATOM 0 HD2 TYR A 841 9.695 16.619 -5.523 1.00 64.23 H new ATOM 0 HE1 TYR A 841 6.940 19.980 -7.894 1.00 23.03 H new ATOM 0 HE2 TYR A 841 8.486 16.031 -7.669 1.00 44.15 H new ATOM 0 HH TYR A 841 6.729 18.485 -9.466 1.00 3.41 H new ATOM 992 N SER A 842 7.917 20.929 -2.255 1.00 2.42 N ATOM 993 CA SER A 842 6.914 21.979 -2.193 1.00 61.13 C ATOM 994 C SER A 842 6.676 22.557 -3.589 1.00 52.45 C ATOM 995 O SER A 842 7.621 22.942 -4.276 1.00 3.34 O ATOM 996 CB SER A 842 7.334 23.086 -1.225 1.00 1.05 C ATOM 997 OG SER A 842 8.627 23.602 -1.531 1.00 72.40 O ATOM 0 H SER A 842 8.754 21.105 -1.699 1.00 2.42 H new ATOM 0 HA SER A 842 5.986 21.544 -1.823 1.00 61.13 H new ATOM 0 HB2 SER A 842 6.604 23.894 -1.260 1.00 1.05 H new ATOM 0 HB3 SER A 842 7.331 22.697 -0.207 1.00 1.05 H new ATOM 0 HG SER A 842 8.721 23.695 -2.502 1.00 72.40 H new ATOM 1003 N GLU A 843 5.407 22.601 -3.969 1.00 30.45 N ATOM 1004 CA GLU A 843 5.032 23.126 -5.271 1.00 23.34 C ATOM 1005 C GLU A 843 4.743 24.625 -5.175 1.00 33.01 C ATOM 1006 O GLU A 843 4.617 25.168 -4.078 1.00 71.23 O ATOM 1007 CB GLU A 843 3.830 22.370 -5.841 1.00 43.42 C ATOM 1008 CG GLU A 843 3.700 22.606 -7.347 1.00 74.33 C ATOM 1009 CD GLU A 843 2.950 21.453 -8.019 1.00 44.22 C ATOM 1010 OE1 GLU A 843 2.266 20.677 -7.336 1.00 71.12 O ATOM 1011 OE2 GLU A 843 3.097 21.380 -9.299 1.00 21.02 O ATOM 0 H GLU A 843 4.625 22.281 -3.397 1.00 30.45 H new ATOM 0 HA GLU A 843 5.868 22.981 -5.955 1.00 23.34 H new ATOM 0 HB2 GLU A 843 3.940 21.304 -5.644 1.00 43.42 H new ATOM 0 HB3 GLU A 843 2.919 22.695 -5.338 1.00 43.42 H new ATOM 0 HG2 GLU A 843 3.172 23.542 -7.528 1.00 74.33 H new ATOM 0 HG3 GLU A 843 4.691 22.708 -7.790 1.00 74.33 H new ATOM 1019 N TYR A 844 4.645 25.252 -6.338 1.00 64.21 N ATOM 1020 CA TYR A 844 4.373 26.678 -6.399 1.00 71.23 C ATOM 1021 C TYR A 844 3.275 26.983 -7.420 1.00 72.12 C ATOM 1022 O TYR A 844 3.495 27.737 -8.367 1.00 34.11 O ATOM 1023 CB TYR A 844 5.676 27.337 -6.857 1.00 74.31 C ATOM 1024 CG TYR A 844 5.778 28.822 -6.506 1.00 4.20 C ATOM 1025 CD1 TYR A 844 4.680 29.490 -6.003 1.00 24.15 C ATOM 1026 CD2 TYR A 844 6.969 29.495 -6.693 1.00 30.33 C ATOM 1027 CE1 TYR A 844 4.777 30.888 -5.672 1.00 41.10 C ATOM 1028 CE2 TYR A 844 7.066 30.893 -6.362 1.00 73.12 C ATOM 1029 CZ TYR A 844 5.965 31.521 -5.868 1.00 70.41 C ATOM 1030 OH TYR A 844 6.056 32.841 -5.556 1.00 3.10 O ATOM 0 H TYR A 844 4.749 24.799 -7.246 1.00 64.21 H new ATOM 0 HA TYR A 844 4.037 27.046 -5.430 1.00 71.23 H new ATOM 0 HB2 TYR A 844 6.516 26.809 -6.406 1.00 74.31 H new ATOM 0 HB3 TYR A 844 5.769 27.222 -7.937 1.00 74.31 H new ATOM 0 HD1 TYR A 844 3.748 28.964 -5.858 1.00 24.15 H new ATOM 0 HD2 TYR A 844 7.828 28.973 -7.088 1.00 30.33 H new ATOM 0 HE1 TYR A 844 3.926 31.422 -5.277 1.00 41.10 H new ATOM 0 HE2 TYR A 844 7.992 31.431 -6.503 1.00 73.12 H new ATOM 0 HH TYR A 844 6.963 33.160 -5.746 1.00 3.10 H new ATOM 1040 N LEU A 845 2.116 26.381 -7.193 1.00 44.31 N ATOM 1041 CA LEU A 845 0.984 26.579 -8.081 1.00 54.33 C ATOM 1042 C LEU A 845 0.561 28.049 -8.042 1.00 43.33 C ATOM 1043 O LEU A 845 0.841 28.754 -7.074 1.00 25.01 O ATOM 1044 CB LEU A 845 -0.145 25.606 -7.735 1.00 60.13 C ATOM 1045 CG LEU A 845 -0.009 24.192 -8.305 1.00 14.14 C ATOM 1046 CD1 LEU A 845 -1.164 23.302 -7.841 1.00 61.54 C ATOM 1047 CD2 LEU A 845 0.113 24.225 -9.829 1.00 63.54 C ATOM 0 H LEU A 845 1.937 25.756 -6.407 1.00 44.31 H new ATOM 0 HA LEU A 845 1.264 26.354 -9.110 1.00 54.33 H new ATOM 0 HB2 LEU A 845 -0.216 25.534 -6.650 1.00 60.13 H new ATOM 0 HB3 LEU A 845 -1.085 26.030 -8.088 1.00 60.13 H new ATOM 0 HG LEU A 845 0.911 23.754 -7.918 1.00 14.14 H new ATOM 0 HD11 LEU A 845 -1.044 22.303 -8.260 1.00 61.54 H new ATOM 0 HD12 LEU A 845 -1.163 23.242 -6.753 1.00 61.54 H new ATOM 0 HD13 LEU A 845 -2.109 23.726 -8.180 1.00 61.54 H new ATOM 0 HD21 LEU A 845 0.208 23.208 -10.208 1.00 63.54 H new ATOM 0 HD22 LEU A 845 -0.776 24.689 -10.255 1.00 63.54 H new ATOM 0 HD23 LEU A 845 0.994 24.802 -10.111 1.00 63.54 H new ATOM 1059 N PRO A 846 -0.124 28.480 -9.136 1.00 23.35 N ATOM 1060 CA PRO A 846 -0.587 29.853 -9.235 1.00 54.13 C ATOM 1061 C PRO A 846 -1.804 30.088 -8.338 1.00 31.42 C ATOM 1062 O PRO A 846 -2.476 29.139 -7.936 1.00 70.34 O ATOM 1063 CB PRO A 846 -0.889 30.060 -10.711 1.00 2.34 C ATOM 1064 CG PRO A 846 -1.027 28.669 -11.307 1.00 54.12 C ATOM 1065 CD PRO A 846 -0.474 27.673 -10.301 1.00 44.43 C ATOM 0 HA PRO A 846 0.154 30.573 -8.888 1.00 54.13 H new ATOM 0 HB2 PRO A 846 -1.805 30.635 -10.845 1.00 2.34 H new ATOM 0 HB3 PRO A 846 -0.089 30.616 -11.199 1.00 2.34 H new ATOM 0 HG2 PRO A 846 -2.072 28.450 -11.526 1.00 54.12 H new ATOM 0 HG3 PRO A 846 -0.483 28.602 -12.249 1.00 54.12 H new ATOM 0 HD2 PRO A 846 -1.213 26.913 -10.049 1.00 44.43 H new ATOM 0 HD3 PRO A 846 0.397 27.151 -10.698 1.00 44.43 H new ATOM 1073 N GLU A 847 -2.051 31.357 -8.049 1.00 43.03 N ATOM 1074 CA GLU A 847 -3.175 31.728 -7.207 1.00 2.33 C ATOM 1075 C GLU A 847 -4.465 31.761 -8.028 1.00 15.03 C ATOM 1076 O GLU A 847 -4.441 32.074 -9.217 1.00 70.31 O ATOM 1077 CB GLU A 847 -2.926 33.074 -6.522 1.00 71.14 C ATOM 1078 CG GLU A 847 -1.568 33.088 -5.818 1.00 32.14 C ATOM 1079 CD GLU A 847 -1.172 34.511 -5.419 1.00 33.05 C ATOM 1080 OE1 GLU A 847 -0.356 35.143 -6.105 1.00 62.03 O ATOM 1081 OE2 GLU A 847 -1.746 34.958 -4.353 1.00 53.24 O ATOM 0 H GLU A 847 -1.491 32.142 -8.383 1.00 43.03 H new ATOM 0 HA GLU A 847 -3.284 30.975 -6.427 1.00 2.33 H new ATOM 0 HB2 GLU A 847 -2.965 33.875 -7.261 1.00 71.14 H new ATOM 0 HB3 GLU A 847 -3.717 33.269 -5.798 1.00 71.14 H new ATOM 0 HG2 GLU A 847 -1.608 32.456 -4.931 1.00 32.14 H new ATOM 0 HG3 GLU A 847 -0.809 32.666 -6.477 1.00 32.14 H new ATOM 1089 N THR A 848 -5.562 31.434 -7.360 1.00 72.22 N ATOM 1090 CA THR A 848 -6.860 31.422 -8.013 1.00 72.21 C ATOM 1091 C THR A 848 -7.788 32.457 -7.374 1.00 51.04 C ATOM 1092 O THR A 848 -7.719 32.699 -6.170 1.00 42.14 O ATOM 1093 CB THR A 848 -7.408 29.995 -7.951 1.00 24.53 C ATOM 1094 OG1 THR A 848 -6.951 29.502 -6.694 1.00 2.21 O ATOM 1095 CG2 THR A 848 -6.748 29.069 -8.975 1.00 53.13 C ATOM 0 H THR A 848 -5.578 31.175 -6.373 1.00 72.22 H new ATOM 0 HA THR A 848 -6.777 31.708 -9.061 1.00 72.21 H new ATOM 0 HB THR A 848 -8.485 30.013 -8.118 1.00 24.53 H new ATOM 0 HG1 THR A 848 -7.196 30.134 -5.986 1.00 2.21 H new ATOM 0 HG21 THR A 848 -7.173 28.069 -8.888 1.00 53.13 H new ATOM 0 HG22 THR A 848 -6.925 29.453 -9.980 1.00 53.13 H new ATOM 0 HG23 THR A 848 -5.675 29.025 -8.787 1.00 53.13 H new TER 1103 THR A 848