USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 786 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 841 TYR OH : rot 15:sc= -0.952 USER MOD Single : A 783 THR OG1 : rot 180:sc= 0 USER MOD Single : A 788 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 CYS SG : rot 40:sc= -0.0715 USER MOD Single : A 799 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN : amide:sc= -0.0807 K(o=-0.081,f=-2.6!) USER MOD Single : A 814 LYS NZ :NH3+ -177:sc= -0.545 (180deg=-0.612) USER MOD Single : A 815 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 817 GLN : amide:sc= -0.0388 K(o=-0.039,f=-1.1) USER MOD Single : A 818 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 826 TYR OH : rot 127:sc= 1.04 USER MOD Single : A 834 SER OG : rot 150:sc= 0 USER MOD Single : A 835 ASN : amide:sc=-0.000184 X(o=-0.00018,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 SER OG : rot -51:sc= 0.527 USER MOD Single : A 844 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 THR OG1 : rot 180:sc= 0.0236 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 780 0.044 13.745 -8.440 1.00 24.54 N ATOM 2 CA GLY A 780 0.360 13.308 -7.090 1.00 33.00 C ATOM 3 C GLY A 780 -0.884 12.761 -6.386 1.00 1.31 C ATOM 4 O GLY A 780 -1.598 13.504 -5.713 1.00 64.43 O ATOM 0 HA2 GLY A 780 1.131 12.538 -7.124 1.00 33.00 H new ATOM 0 HA3 GLY A 780 0.768 14.143 -6.520 1.00 33.00 H new ATOM 8 N PRO A 781 -1.111 11.433 -6.570 1.00 12.13 N ATOM 9 CA PRO A 781 -2.256 10.778 -5.960 1.00 50.31 C ATOM 10 C PRO A 781 -2.034 10.568 -4.461 1.00 5.10 C ATOM 11 O PRO A 781 -2.657 11.236 -3.638 1.00 32.04 O ATOM 12 CB PRO A 781 -2.417 9.475 -6.725 1.00 73.12 C ATOM 13 CG PRO A 781 -1.087 9.232 -7.419 1.00 60.41 C ATOM 14 CD PRO A 781 -0.287 10.523 -7.360 1.00 33.22 C ATOM 0 HA PRO A 781 -3.165 11.376 -6.022 1.00 50.31 H new ATOM 0 HB2 PRO A 781 -2.661 8.654 -6.051 1.00 73.12 H new ATOM 0 HB3 PRO A 781 -3.228 9.545 -7.449 1.00 73.12 H new ATOM 0 HG2 PRO A 781 -0.543 8.424 -6.930 1.00 60.41 H new ATOM 0 HG3 PRO A 781 -1.246 8.929 -8.454 1.00 60.41 H new ATOM 0 HD2 PRO A 781 0.686 10.365 -6.895 1.00 33.22 H new ATOM 0 HD3 PRO A 781 -0.103 10.921 -8.358 1.00 33.22 H new ATOM 22 N GLY A 782 -1.143 9.637 -4.152 1.00 45.43 N ATOM 23 CA GLY A 782 -0.830 9.331 -2.767 1.00 2.02 C ATOM 24 C GLY A 782 0.262 10.260 -2.233 1.00 4.02 C ATOM 25 O GLY A 782 0.229 11.466 -2.474 1.00 22.22 O ATOM 0 H GLY A 782 -0.628 9.085 -4.838 1.00 45.43 H new ATOM 0 HA2 GLY A 782 -1.728 9.431 -2.157 1.00 2.02 H new ATOM 0 HA3 GLY A 782 -0.503 8.295 -2.685 1.00 2.02 H new ATOM 29 N THR A 783 1.204 9.663 -1.517 1.00 45.43 N ATOM 30 CA THR A 783 2.305 10.422 -0.947 1.00 54.42 C ATOM 31 C THR A 783 3.348 10.737 -2.021 1.00 1.32 C ATOM 32 O THR A 783 4.359 11.379 -1.740 1.00 22.24 O ATOM 33 CB THR A 783 2.867 9.626 0.232 1.00 42.20 C ATOM 34 OG1 THR A 783 1.726 9.349 1.040 1.00 44.33 O ATOM 35 CG2 THR A 783 3.766 10.473 1.135 1.00 42.41 C ATOM 0 H THR A 783 1.228 8.663 -1.319 1.00 45.43 H new ATOM 0 HA THR A 783 1.968 11.389 -0.573 1.00 54.42 H new ATOM 0 HB THR A 783 3.431 8.772 -0.143 1.00 42.20 H new ATOM 0 HG1 THR A 783 2.000 8.833 1.827 1.00 44.33 H new ATOM 0 HG21 THR A 783 4.138 9.860 1.956 1.00 42.41 H new ATOM 0 HG22 THR A 783 4.607 10.854 0.556 1.00 42.41 H new ATOM 0 HG23 THR A 783 3.194 11.309 1.537 1.00 42.41 H new ATOM 43 N PHE A 784 3.067 10.271 -3.229 1.00 12.33 N ATOM 44 CA PHE A 784 3.968 10.495 -4.346 1.00 4.20 C ATOM 45 C PHE A 784 3.584 11.760 -5.116 1.00 11.20 C ATOM 46 O PHE A 784 2.544 12.361 -4.850 1.00 1.21 O ATOM 47 CB PHE A 784 3.837 9.287 -5.275 1.00 44.14 C ATOM 48 CG PHE A 784 4.222 7.957 -4.625 1.00 34.34 C ATOM 49 CD1 PHE A 784 5.221 7.914 -3.703 1.00 13.11 C ATOM 50 CD2 PHE A 784 3.564 6.817 -4.968 1.00 30.21 C ATOM 51 CE1 PHE A 784 5.577 6.679 -3.099 1.00 3.42 C ATOM 52 CE2 PHE A 784 3.921 5.582 -4.364 1.00 14.22 C ATOM 53 CZ PHE A 784 4.920 5.539 -3.442 1.00 54.51 C ATOM 0 H PHE A 784 2.228 9.739 -3.458 1.00 12.33 H new ATOM 0 HA PHE A 784 4.988 10.620 -3.982 1.00 4.20 H new ATOM 0 HB2 PHE A 784 2.808 9.223 -5.627 1.00 44.14 H new ATOM 0 HB3 PHE A 784 4.465 9.446 -6.152 1.00 44.14 H new ATOM 0 HD1 PHE A 784 5.743 8.819 -3.430 1.00 13.11 H new ATOM 0 HD2 PHE A 784 2.770 6.851 -5.700 1.00 30.21 H new ATOM 0 HE1 PHE A 784 6.370 6.645 -2.367 1.00 3.42 H new ATOM 0 HE2 PHE A 784 3.399 4.677 -4.637 1.00 14.22 H new ATOM 0 HZ PHE A 784 5.191 4.600 -2.983 1.00 54.51 H new ATOM 63 N GLY A 785 4.443 12.127 -6.055 1.00 43.02 N ATOM 64 CA GLY A 785 4.207 13.310 -6.866 1.00 33.44 C ATOM 65 C GLY A 785 5.102 13.312 -8.106 1.00 50.34 C ATOM 66 O GLY A 785 4.705 12.826 -9.164 1.00 32.41 O ATOM 0 H GLY A 785 5.304 11.626 -6.273 1.00 43.02 H new ATOM 0 HA2 GLY A 785 3.160 13.345 -7.169 1.00 33.44 H new ATOM 0 HA3 GLY A 785 4.398 14.205 -6.274 1.00 33.44 H new ATOM 70 N THR A 786 6.294 13.866 -7.936 1.00 34.22 N ATOM 71 CA THR A 786 7.248 13.938 -9.029 1.00 5.24 C ATOM 72 C THR A 786 8.665 14.141 -8.487 1.00 32.24 C ATOM 73 O THR A 786 8.862 14.243 -7.277 1.00 14.02 O ATOM 74 CB THR A 786 6.797 15.049 -9.978 1.00 54.25 C ATOM 75 OG1 THR A 786 6.321 16.075 -9.111 1.00 40.14 O ATOM 76 CG2 THR A 786 5.567 14.654 -10.798 1.00 54.43 C ATOM 0 H THR A 786 6.620 14.269 -7.058 1.00 34.22 H new ATOM 0 HA THR A 786 7.278 13.004 -9.590 1.00 5.24 H new ATOM 0 HB THR A 786 7.615 15.306 -10.651 1.00 54.25 H new ATOM 0 HG1 THR A 786 6.010 16.836 -9.645 1.00 40.14 H new ATOM 0 HG21 THR A 786 5.288 15.478 -11.455 1.00 54.43 H new ATOM 0 HG22 THR A 786 5.797 13.773 -11.397 1.00 54.43 H new ATOM 0 HG23 THR A 786 4.739 14.430 -10.126 1.00 54.43 H new ATOM 84 N ALA A 787 9.615 14.193 -9.409 1.00 31.24 N ATOM 85 CA ALA A 787 11.007 14.381 -9.038 1.00 43.45 C ATOM 86 C ALA A 787 11.688 15.282 -10.072 1.00 33.43 C ATOM 87 O ALA A 787 11.874 14.883 -11.220 1.00 42.34 O ATOM 88 CB ALA A 787 11.691 13.019 -8.912 1.00 62.41 C ATOM 0 H ALA A 787 9.448 14.108 -10.412 1.00 31.24 H new ATOM 0 HA ALA A 787 11.083 14.874 -8.069 1.00 43.45 H new ATOM 0 HB1 ALA A 787 12.735 13.161 -8.634 1.00 62.41 H new ATOM 0 HB2 ALA A 787 11.188 12.429 -8.146 1.00 62.41 H new ATOM 0 HB3 ALA A 787 11.638 12.495 -9.867 1.00 62.41 H new ATOM 94 N LYS A 788 12.040 16.479 -9.626 1.00 30.50 N ATOM 95 CA LYS A 788 12.696 17.439 -10.498 1.00 33.53 C ATOM 96 C LYS A 788 14.178 17.080 -10.621 1.00 31.41 C ATOM 97 O LYS A 788 14.905 17.078 -9.628 1.00 55.34 O ATOM 98 CB LYS A 788 12.447 18.866 -10.006 1.00 24.24 C ATOM 99 CG LYS A 788 12.352 19.842 -11.180 1.00 74.21 C ATOM 100 CD LYS A 788 11.660 21.140 -10.759 1.00 71.02 C ATOM 101 CE LYS A 788 12.240 22.339 -11.512 1.00 11.22 C ATOM 102 NZ LYS A 788 11.449 23.558 -11.233 1.00 13.45 N ATOM 0 H LYS A 788 11.883 16.806 -8.673 1.00 30.50 H new ATOM 0 HA LYS A 788 12.273 17.394 -11.502 1.00 33.53 H new ATOM 0 HB2 LYS A 788 11.525 18.899 -9.426 1.00 24.24 H new ATOM 0 HB3 LYS A 788 13.254 19.171 -9.340 1.00 24.24 H new ATOM 0 HG2 LYS A 788 13.351 20.063 -11.555 1.00 74.21 H new ATOM 0 HG3 LYS A 788 11.799 19.380 -11.998 1.00 74.21 H new ATOM 0 HD2 LYS A 788 10.590 21.066 -10.954 1.00 71.02 H new ATOM 0 HD3 LYS A 788 11.778 21.288 -9.686 1.00 71.02 H new ATOM 0 HE2 LYS A 788 13.277 22.495 -11.215 1.00 11.22 H new ATOM 0 HE3 LYS A 788 12.242 22.137 -12.583 1.00 11.22 H new ATOM 0 HZ1 LYS A 788 11.856 24.362 -11.752 1.00 13.45 H new ATOM 0 HZ2 LYS A 788 10.466 23.411 -11.538 1.00 13.45 H new ATOM 0 HZ3 LYS A 788 11.469 23.759 -10.213 1.00 13.45 H new ATOM 115 N ALA A 789 14.582 16.784 -11.847 1.00 63.14 N ATOM 116 CA ALA A 789 15.965 16.424 -12.113 1.00 53.13 C ATOM 117 C ALA A 789 16.874 17.594 -11.732 1.00 20.00 C ATOM 118 O ALA A 789 16.546 18.750 -11.993 1.00 11.43 O ATOM 119 CB ALA A 789 16.115 16.024 -13.582 1.00 72.23 C ATOM 0 H ALA A 789 13.976 16.786 -12.668 1.00 63.14 H new ATOM 0 HA ALA A 789 16.261 15.566 -11.510 1.00 53.13 H new ATOM 0 HB1 ALA A 789 17.152 15.754 -13.782 1.00 72.23 H new ATOM 0 HB2 ALA A 789 15.471 15.171 -13.794 1.00 72.23 H new ATOM 0 HB3 ALA A 789 15.829 16.862 -14.218 1.00 72.23 H new ATOM 125 N ARG A 790 17.999 17.253 -11.121 1.00 31.32 N ATOM 126 CA ARG A 790 18.958 18.260 -10.701 1.00 10.40 C ATOM 127 C ARG A 790 20.294 18.053 -11.418 1.00 55.52 C ATOM 128 O ARG A 790 21.226 18.835 -11.238 1.00 64.31 O ATOM 129 CB ARG A 790 19.185 18.208 -9.189 1.00 4.11 C ATOM 130 CG ARG A 790 18.048 18.905 -8.439 1.00 23.20 C ATOM 131 CD ARG A 790 18.259 20.420 -8.408 1.00 23.10 C ATOM 132 NE ARG A 790 19.578 20.735 -7.815 1.00 1.22 N ATOM 133 CZ ARG A 790 19.808 20.828 -6.488 1.00 25.32 C ATOM 134 NH1 ARG A 790 18.808 20.629 -5.603 1.00 41.42 N ATOM 135 NH2 ARG A 790 21.027 21.115 -6.068 1.00 54.12 N ATOM 0 H ARG A 790 18.268 16.293 -10.907 1.00 31.32 H new ATOM 0 HA ARG A 790 18.549 19.236 -10.962 1.00 10.40 H new ATOM 0 HB2 ARG A 790 19.257 17.170 -8.864 1.00 4.11 H new ATOM 0 HB3 ARG A 790 20.134 18.685 -8.944 1.00 4.11 H new ATOM 0 HG2 ARG A 790 17.097 18.677 -8.920 1.00 23.20 H new ATOM 0 HG3 ARG A 790 17.991 18.521 -7.420 1.00 23.20 H new ATOM 0 HD2 ARG A 790 18.199 20.825 -9.418 1.00 23.10 H new ATOM 0 HD3 ARG A 790 17.467 20.894 -7.828 1.00 23.10 H new ATOM 0 HE ARG A 790 20.362 20.892 -8.448 1.00 1.22 H new ATOM 0 HH11 ARG A 790 17.870 20.406 -5.935 1.00 41.42 H new ATOM 0 HH12 ARG A 790 18.991 20.701 -4.602 1.00 41.42 H new ATOM 0 HH21 ARG A 790 21.777 21.263 -6.743 1.00 54.12 H new ATOM 0 HH22 ARG A 790 21.218 21.189 -5.069 1.00 54.12 H new ATOM 148 N TYR A 791 20.343 16.997 -12.216 1.00 72.02 N ATOM 149 CA TYR A 791 21.549 16.678 -12.961 1.00 73.53 C ATOM 150 C TYR A 791 21.207 16.107 -14.339 1.00 71.02 C ATOM 151 O TYR A 791 20.406 15.180 -14.450 1.00 30.01 O ATOM 152 CB TYR A 791 22.277 15.607 -12.146 1.00 2.42 C ATOM 153 CG TYR A 791 22.492 15.982 -10.678 1.00 51.32 C ATOM 154 CD1 TYR A 791 21.441 15.911 -9.787 1.00 13.12 C ATOM 155 CD2 TYR A 791 23.737 16.392 -10.246 1.00 31.25 C ATOM 156 CE1 TYR A 791 21.643 16.264 -8.405 1.00 52.15 C ATOM 157 CE2 TYR A 791 23.939 16.745 -8.864 1.00 60.31 C ATOM 158 CZ TYR A 791 22.882 16.663 -8.012 1.00 50.53 C ATOM 159 OH TYR A 791 23.073 16.997 -6.708 1.00 31.23 O ATOM 0 H TYR A 791 19.567 16.351 -12.363 1.00 72.02 H new ATOM 0 HA TYR A 791 22.154 17.572 -13.113 1.00 73.53 H new ATOM 0 HB2 TYR A 791 21.707 14.679 -12.194 1.00 2.42 H new ATOM 0 HB3 TYR A 791 23.246 15.411 -12.606 1.00 2.42 H new ATOM 0 HD1 TYR A 791 20.467 15.591 -10.126 1.00 13.12 H new ATOM 0 HD2 TYR A 791 24.559 16.448 -10.944 1.00 31.25 H new ATOM 0 HE1 TYR A 791 20.829 16.213 -7.697 1.00 52.15 H new ATOM 0 HE2 TYR A 791 24.908 17.067 -8.512 1.00 60.31 H new ATOM 0 HH TYR A 791 24.007 17.262 -6.571 1.00 31.23 H new ATOM 169 N ASP A 792 21.831 16.685 -15.355 1.00 61.30 N ATOM 170 CA ASP A 792 21.603 16.245 -16.721 1.00 41.42 C ATOM 171 C ASP A 792 22.113 14.812 -16.883 1.00 41.12 C ATOM 172 O ASP A 792 23.303 14.594 -17.108 1.00 12.45 O ATOM 173 CB ASP A 792 22.355 17.130 -17.717 1.00 42.31 C ATOM 174 CG ASP A 792 21.619 18.405 -18.133 1.00 42.43 C ATOM 175 OD1 ASP A 792 20.446 18.364 -18.533 1.00 42.22 O ATOM 176 OD2 ASP A 792 22.309 19.491 -18.033 1.00 24.30 O ATOM 0 H ASP A 792 22.494 17.454 -15.260 1.00 61.30 H new ATOM 0 HA ASP A 792 20.533 16.306 -16.921 1.00 41.42 H new ATOM 0 HB2 ASP A 792 23.314 17.408 -17.281 1.00 42.31 H new ATOM 0 HB3 ASP A 792 22.569 16.544 -18.611 1.00 42.31 H new ATOM 182 N PHE A 793 21.188 13.872 -16.763 1.00 73.53 N ATOM 183 CA PHE A 793 21.529 12.465 -16.894 1.00 12.13 C ATOM 184 C PHE A 793 21.572 12.045 -18.364 1.00 55.34 C ATOM 185 O PHE A 793 21.246 12.835 -19.249 1.00 14.41 O ATOM 186 CB PHE A 793 20.433 11.671 -16.181 1.00 15.14 C ATOM 187 CG PHE A 793 20.913 10.348 -15.581 1.00 74.20 C ATOM 188 CD1 PHE A 793 22.100 10.292 -14.920 1.00 61.45 C ATOM 189 CD2 PHE A 793 20.152 9.228 -15.709 1.00 32.33 C ATOM 190 CE1 PHE A 793 22.546 9.064 -14.364 1.00 74.51 C ATOM 191 CE2 PHE A 793 20.597 8.000 -15.152 1.00 64.54 C ATOM 192 CZ PHE A 793 21.785 7.943 -14.492 1.00 11.42 C ATOM 0 H PHE A 793 20.202 14.056 -16.576 1.00 73.53 H new ATOM 0 HA PHE A 793 22.513 12.279 -16.462 1.00 12.13 H new ATOM 0 HB2 PHE A 793 20.011 12.287 -15.386 1.00 15.14 H new ATOM 0 HB3 PHE A 793 19.628 11.467 -16.887 1.00 15.14 H new ATOM 0 HD1 PHE A 793 22.704 11.182 -14.818 1.00 61.45 H new ATOM 0 HD2 PHE A 793 19.209 9.273 -16.234 1.00 32.33 H new ATOM 0 HE1 PHE A 793 23.489 9.020 -13.840 1.00 74.51 H new ATOM 0 HE2 PHE A 793 19.992 7.111 -15.252 1.00 64.54 H new ATOM 0 HZ PHE A 793 22.124 7.009 -14.070 1.00 11.42 H new ATOM 202 N CYS A 794 21.976 10.802 -18.580 1.00 43.33 N ATOM 203 CA CYS A 794 22.066 10.268 -19.929 1.00 12.04 C ATOM 204 C CYS A 794 21.868 8.753 -19.859 1.00 31.52 C ATOM 205 O CYS A 794 22.763 8.025 -19.431 1.00 14.25 O ATOM 206 CB CYS A 794 23.390 10.640 -20.598 1.00 4.43 C ATOM 207 SG CYS A 794 24.779 10.352 -19.441 1.00 13.42 S ATOM 0 H CYS A 794 22.245 10.149 -17.844 1.00 43.33 H new ATOM 0 HA CYS A 794 21.285 10.708 -20.550 1.00 12.04 H new ATOM 0 HB2 CYS A 794 23.530 10.047 -21.502 1.00 4.43 H new ATOM 0 HB3 CYS A 794 23.371 11.686 -20.903 1.00 4.43 H new ATOM 0 HG CYS A 794 24.576 9.248 -18.785 1.00 13.42 H new ATOM 213 N ALA A 795 20.690 8.321 -20.286 1.00 44.34 N ATOM 214 CA ALA A 795 20.364 6.906 -20.278 1.00 34.52 C ATOM 215 C ALA A 795 21.207 6.185 -21.332 1.00 3.53 C ATOM 216 O ALA A 795 21.310 6.643 -22.469 1.00 1.44 O ATOM 217 CB ALA A 795 18.862 6.727 -20.511 1.00 22.50 C ATOM 0 H ALA A 795 19.950 8.927 -20.640 1.00 44.34 H new ATOM 0 HA ALA A 795 20.600 6.464 -19.310 1.00 34.52 H new ATOM 0 HB1 ALA A 795 18.617 5.665 -20.505 1.00 22.50 H new ATOM 0 HB2 ALA A 795 18.308 7.232 -19.719 1.00 22.50 H new ATOM 0 HB3 ALA A 795 18.590 7.157 -21.475 1.00 22.50 H new ATOM 223 N ARG A 796 21.790 5.070 -20.916 1.00 53.24 N ATOM 224 CA ARG A 796 22.621 4.282 -21.810 1.00 41.44 C ATOM 225 C ARG A 796 21.863 3.041 -22.285 1.00 13.14 C ATOM 226 O ARG A 796 22.235 2.426 -23.283 1.00 35.34 O ATOM 227 CB ARG A 796 23.915 3.848 -21.119 1.00 61.13 C ATOM 228 CG ARG A 796 23.656 2.697 -20.145 1.00 4.24 C ATOM 229 CD ARG A 796 23.872 1.344 -20.825 1.00 32.33 C ATOM 230 NE ARG A 796 25.275 0.908 -20.651 1.00 64.21 N ATOM 231 CZ ARG A 796 25.822 -0.152 -21.283 1.00 65.14 C ATOM 232 NH1 ARG A 796 25.087 -0.895 -22.138 1.00 10.31 N ATOM 233 NH2 ARG A 796 27.087 -0.452 -21.053 1.00 43.34 N ATOM 0 H ARG A 796 21.703 4.694 -19.972 1.00 53.24 H new ATOM 0 HA ARG A 796 22.872 4.908 -22.667 1.00 41.44 H new ATOM 0 HB2 ARG A 796 24.645 3.539 -21.867 1.00 61.13 H new ATOM 0 HB3 ARG A 796 24.346 4.693 -20.583 1.00 61.13 H new ATOM 0 HG2 ARG A 796 24.321 2.786 -19.286 1.00 4.24 H new ATOM 0 HG3 ARG A 796 22.636 2.759 -19.766 1.00 4.24 H new ATOM 0 HD2 ARG A 796 23.197 0.602 -20.399 1.00 32.33 H new ATOM 0 HD3 ARG A 796 23.635 1.419 -21.886 1.00 32.33 H new ATOM 0 HE ARG A 796 25.866 1.442 -20.014 1.00 64.21 H new ATOM 0 HH11 ARG A 796 24.110 -0.657 -22.311 1.00 10.31 H new ATOM 0 HH12 ARG A 796 25.509 -1.694 -22.611 1.00 10.31 H new ATOM 0 HH21 ARG A 796 27.636 0.114 -20.406 1.00 43.34 H new ATOM 0 HH22 ARG A 796 27.515 -1.250 -21.522 1.00 43.34 H new ATOM 246 N ASP A 797 20.813 2.710 -21.547 1.00 3.24 N ATOM 247 CA ASP A 797 19.999 1.553 -21.879 1.00 43.32 C ATOM 248 C ASP A 797 18.537 1.849 -21.538 1.00 64.31 C ATOM 249 O ASP A 797 18.229 2.891 -20.962 1.00 50.14 O ATOM 250 CB ASP A 797 20.433 0.325 -21.076 1.00 43.44 C ATOM 251 CG ASP A 797 21.508 -0.536 -21.743 1.00 34.41 C ATOM 252 OD1 ASP A 797 21.787 -0.394 -22.942 1.00 44.35 O ATOM 253 OD2 ASP A 797 22.076 -1.396 -20.967 1.00 32.11 O ATOM 0 H ASP A 797 20.507 3.223 -20.720 1.00 3.24 H new ATOM 0 HA ASP A 797 20.121 1.349 -22.943 1.00 43.32 H new ATOM 0 HB2 ASP A 797 20.804 0.656 -20.106 1.00 43.44 H new ATOM 0 HB3 ASP A 797 19.557 -0.296 -20.887 1.00 43.44 H new ATOM 259 N ARG A 798 17.676 0.912 -21.908 1.00 10.43 N ATOM 260 CA ARG A 798 16.254 1.059 -21.648 1.00 51.31 C ATOM 261 C ARG A 798 15.965 0.879 -20.156 1.00 43.24 C ATOM 262 O ARG A 798 14.880 1.216 -19.685 1.00 71.35 O ATOM 263 CB ARG A 798 15.440 0.038 -22.445 1.00 22.41 C ATOM 264 CG ARG A 798 15.673 0.203 -23.948 1.00 3.10 C ATOM 265 CD ARG A 798 14.930 -0.874 -24.740 1.00 75.11 C ATOM 266 NE ARG A 798 13.468 -0.677 -24.614 1.00 42.41 N ATOM 267 CZ ARG A 798 12.550 -1.325 -25.362 1.00 13.53 C ATOM 268 NH1 ARG A 798 12.935 -2.219 -26.297 1.00 14.21 N ATOM 269 NH2 ARG A 798 11.269 -1.070 -25.165 1.00 24.44 N ATOM 0 H ARG A 798 17.936 0.049 -22.385 1.00 10.43 H new ATOM 0 HA ARG A 798 15.962 2.062 -21.959 1.00 51.31 H new ATOM 0 HB2 ARG A 798 15.716 -0.971 -22.139 1.00 22.41 H new ATOM 0 HB3 ARG A 798 14.380 0.159 -22.222 1.00 22.41 H new ATOM 0 HG2 ARG A 798 15.336 1.190 -24.265 1.00 3.10 H new ATOM 0 HG3 ARG A 798 16.740 0.146 -24.163 1.00 3.10 H new ATOM 0 HD2 ARG A 798 15.222 -0.832 -25.789 1.00 75.11 H new ATOM 0 HD3 ARG A 798 15.205 -1.862 -24.372 1.00 75.11 H new ATOM 0 HE ARG A 798 13.134 -0.010 -23.919 1.00 42.41 H new ATOM 0 HH11 ARG A 798 13.926 -2.410 -26.443 1.00 14.21 H new ATOM 0 HH12 ARG A 798 12.235 -2.704 -26.858 1.00 14.21 H new ATOM 0 HH21 ARG A 798 10.987 -0.393 -24.457 1.00 24.44 H new ATOM 0 HH22 ARG A 798 10.562 -1.551 -25.721 1.00 24.44 H new ATOM 282 N SER A 799 16.956 0.349 -19.454 1.00 71.14 N ATOM 283 CA SER A 799 16.822 0.120 -18.026 1.00 11.23 C ATOM 284 C SER A 799 17.151 1.402 -17.257 1.00 65.44 C ATOM 285 O SER A 799 17.242 1.388 -16.031 1.00 10.42 O ATOM 286 CB SER A 799 17.727 -1.023 -17.564 1.00 24.32 C ATOM 287 OG SER A 799 18.990 -1.004 -18.223 1.00 44.04 O ATOM 0 H SER A 799 17.855 0.072 -19.848 1.00 71.14 H new ATOM 0 HA SER A 799 15.790 -0.164 -17.821 1.00 11.23 H new ATOM 0 HB2 SER A 799 17.879 -0.952 -16.487 1.00 24.32 H new ATOM 0 HB3 SER A 799 17.233 -1.976 -17.754 1.00 24.32 H new ATOM 0 HG SER A 799 19.539 -1.748 -17.899 1.00 44.04 H new ATOM 293 N GLU A 800 17.322 2.478 -18.011 1.00 31.01 N ATOM 294 CA GLU A 800 17.639 3.765 -17.416 1.00 44.22 C ATOM 295 C GLU A 800 16.686 4.841 -17.939 1.00 50.34 C ATOM 296 O GLU A 800 16.318 4.833 -19.113 1.00 64.53 O ATOM 297 CB GLU A 800 19.097 4.148 -17.682 1.00 73.53 C ATOM 298 CG GLU A 800 19.434 5.499 -17.049 1.00 35.24 C ATOM 299 CD GLU A 800 20.948 5.695 -16.948 1.00 54.13 C ATOM 300 OE1 GLU A 800 21.455 6.780 -17.270 1.00 72.24 O ATOM 301 OE2 GLU A 800 21.603 4.671 -16.516 1.00 53.24 O ATOM 0 H GLU A 800 17.247 2.485 -19.028 1.00 31.01 H new ATOM 0 HA GLU A 800 17.509 3.686 -16.337 1.00 44.22 H new ATOM 0 HB2 GLU A 800 19.757 3.380 -17.280 1.00 73.53 H new ATOM 0 HB3 GLU A 800 19.275 4.191 -18.757 1.00 73.53 H new ATOM 0 HG2 GLU A 800 18.999 6.302 -17.644 1.00 35.24 H new ATOM 0 HG3 GLU A 800 18.989 5.561 -16.056 1.00 35.24 H new ATOM 309 N LEU A 801 16.313 5.743 -17.043 1.00 34.41 N ATOM 310 CA LEU A 801 15.409 6.823 -17.400 1.00 0.25 C ATOM 311 C LEU A 801 16.224 8.033 -17.861 1.00 64.31 C ATOM 312 O LEU A 801 17.258 8.349 -17.275 1.00 2.35 O ATOM 313 CB LEU A 801 14.456 7.129 -16.242 1.00 5.10 C ATOM 314 CG LEU A 801 13.045 7.570 -16.634 1.00 35.43 C ATOM 315 CD1 LEU A 801 12.225 7.947 -15.398 1.00 22.41 C ATOM 316 CD2 LEU A 801 13.089 8.704 -17.660 1.00 31.51 C ATOM 0 H LEU A 801 16.620 5.748 -16.070 1.00 34.41 H new ATOM 0 HA LEU A 801 14.774 6.528 -18.236 1.00 0.25 H new ATOM 0 HB2 LEU A 801 14.377 6.239 -15.618 1.00 5.10 H new ATOM 0 HB3 LEU A 801 14.902 7.911 -15.627 1.00 5.10 H new ATOM 0 HG LEU A 801 12.544 6.726 -17.108 1.00 35.43 H new ATOM 0 HD11 LEU A 801 11.226 8.257 -15.705 1.00 22.41 H new ATOM 0 HD12 LEU A 801 12.150 7.085 -14.734 1.00 22.41 H new ATOM 0 HD13 LEU A 801 12.714 8.768 -14.873 1.00 22.41 H new ATOM 0 HD21 LEU A 801 12.072 8.998 -17.921 1.00 31.51 H new ATOM 0 HD22 LEU A 801 13.616 9.558 -17.236 1.00 31.51 H new ATOM 0 HD23 LEU A 801 13.610 8.365 -18.555 1.00 31.51 H new ATOM 328 N SER A 802 15.729 8.676 -18.908 1.00 35.11 N ATOM 329 CA SER A 802 16.398 9.844 -19.455 1.00 22.31 C ATOM 330 C SER A 802 16.053 11.082 -18.625 1.00 34.31 C ATOM 331 O SER A 802 14.946 11.610 -18.723 1.00 3.30 O ATOM 332 CB SER A 802 16.015 10.063 -20.920 1.00 33.33 C ATOM 333 OG SER A 802 17.076 10.650 -21.667 1.00 42.33 O ATOM 0 H SER A 802 14.872 8.410 -19.392 1.00 35.11 H new ATOM 0 HA SER A 802 17.474 9.673 -19.411 1.00 22.31 H new ATOM 0 HB2 SER A 802 15.740 9.109 -21.369 1.00 33.33 H new ATOM 0 HB3 SER A 802 15.136 10.705 -20.973 1.00 33.33 H new ATOM 0 HG SER A 802 16.793 10.772 -22.597 1.00 42.33 H new ATOM 339 N LEU A 803 17.020 11.508 -17.826 1.00 51.23 N ATOM 340 CA LEU A 803 16.832 12.674 -16.980 1.00 0.13 C ATOM 341 C LEU A 803 17.491 13.888 -17.638 1.00 14.33 C ATOM 342 O LEU A 803 18.427 13.742 -18.422 1.00 51.00 O ATOM 343 CB LEU A 803 17.336 12.394 -15.562 1.00 72.04 C ATOM 344 CG LEU A 803 16.275 11.966 -14.546 1.00 2.20 C ATOM 345 CD1 LEU A 803 15.165 11.158 -15.220 1.00 33.23 C ATOM 346 CD2 LEU A 803 16.909 11.207 -13.379 1.00 2.14 C ATOM 0 H LEU A 803 17.936 11.067 -17.747 1.00 51.23 H new ATOM 0 HA LEU A 803 15.771 12.903 -16.877 1.00 0.13 H new ATOM 0 HB2 LEU A 803 18.096 11.614 -15.615 1.00 72.04 H new ATOM 0 HB3 LEU A 803 17.827 13.292 -15.188 1.00 72.04 H new ATOM 0 HG LEU A 803 15.814 12.864 -14.134 1.00 2.20 H new ATOM 0 HD11 LEU A 803 14.424 10.866 -14.476 1.00 33.23 H new ATOM 0 HD12 LEU A 803 14.688 11.766 -15.988 1.00 33.23 H new ATOM 0 HD13 LEU A 803 15.591 10.265 -15.677 1.00 33.23 H new ATOM 0 HD21 LEU A 803 16.133 10.914 -12.671 1.00 2.14 H new ATOM 0 HD22 LEU A 803 17.412 10.316 -13.755 1.00 2.14 H new ATOM 0 HD23 LEU A 803 17.634 11.849 -12.878 1.00 2.14 H new ATOM 358 N LYS A 804 16.975 15.060 -17.294 1.00 64.52 N ATOM 359 CA LYS A 804 17.502 16.298 -17.842 1.00 12.32 C ATOM 360 C LYS A 804 17.150 17.455 -16.905 1.00 12.34 C ATOM 361 O LYS A 804 15.976 17.774 -16.719 1.00 62.42 O ATOM 362 CB LYS A 804 17.013 16.500 -19.278 1.00 24.53 C ATOM 363 CG LYS A 804 17.948 17.434 -20.049 1.00 14.54 C ATOM 364 CD LYS A 804 19.045 16.645 -20.765 1.00 74.34 C ATOM 365 CE LYS A 804 19.749 17.511 -21.811 1.00 63.24 C ATOM 366 NZ LYS A 804 18.989 17.511 -23.081 1.00 62.14 N ATOM 0 H LYS A 804 16.198 15.178 -16.643 1.00 64.52 H new ATOM 0 HA LYS A 804 18.589 16.255 -17.903 1.00 12.32 H new ATOM 0 HB2 LYS A 804 16.956 15.537 -19.785 1.00 24.53 H new ATOM 0 HB3 LYS A 804 16.005 16.915 -19.268 1.00 24.53 H new ATOM 0 HG2 LYS A 804 17.375 18.008 -20.777 1.00 14.54 H new ATOM 0 HG3 LYS A 804 18.400 18.150 -19.362 1.00 14.54 H new ATOM 0 HD2 LYS A 804 19.772 16.284 -20.038 1.00 74.34 H new ATOM 0 HD3 LYS A 804 18.612 15.768 -21.246 1.00 74.34 H new ATOM 0 HE2 LYS A 804 19.848 18.531 -21.440 1.00 63.24 H new ATOM 0 HE3 LYS A 804 20.757 17.135 -21.984 1.00 63.24 H new ATOM 0 HZ1 LYS A 804 19.481 18.104 -23.780 1.00 62.14 H new ATOM 0 HZ2 LYS A 804 18.916 16.538 -23.442 1.00 62.14 H new ATOM 0 HZ3 LYS A 804 18.035 17.891 -22.915 1.00 62.14 H new ATOM 379 N GLU A 805 18.188 18.053 -16.338 1.00 71.14 N ATOM 380 CA GLU A 805 18.003 19.168 -15.425 1.00 21.30 C ATOM 381 C GLU A 805 16.883 20.083 -15.924 1.00 31.31 C ATOM 382 O GLU A 805 16.745 20.302 -17.126 1.00 72.34 O ATOM 383 CB GLU A 805 19.307 19.947 -15.241 1.00 15.35 C ATOM 384 CG GLU A 805 20.187 19.299 -14.170 1.00 74.31 C ATOM 385 CD GLU A 805 21.670 19.522 -14.471 1.00 1.44 C ATOM 386 OE1 GLU A 805 22.128 19.229 -15.585 1.00 51.42 O ATOM 387 OE2 GLU A 805 22.354 20.021 -13.497 1.00 64.23 O ATOM 0 H GLU A 805 19.160 17.786 -16.493 1.00 71.14 H new ATOM 0 HA GLU A 805 17.714 18.772 -14.452 1.00 21.30 H new ATOM 0 HB2 GLU A 805 19.848 19.986 -16.186 1.00 15.35 H new ATOM 0 HB3 GLU A 805 19.083 20.976 -14.959 1.00 15.35 H new ATOM 0 HG2 GLU A 805 19.944 19.716 -13.193 1.00 74.31 H new ATOM 0 HG3 GLU A 805 19.979 18.230 -14.121 1.00 74.31 H new ATOM 395 N GLY A 806 16.112 20.592 -14.975 1.00 14.41 N ATOM 396 CA GLY A 806 15.008 21.479 -15.303 1.00 71.31 C ATOM 397 C GLY A 806 13.793 20.685 -15.789 1.00 45.23 C ATOM 398 O GLY A 806 12.859 21.255 -16.350 1.00 12.51 O ATOM 0 H GLY A 806 16.229 20.407 -13.979 1.00 14.41 H new ATOM 0 HA2 GLY A 806 14.736 22.067 -14.426 1.00 71.31 H new ATOM 0 HA3 GLY A 806 15.319 22.183 -16.075 1.00 71.31 H new ATOM 402 N ASP A 807 13.847 19.382 -15.557 1.00 75.10 N ATOM 403 CA ASP A 807 12.762 18.504 -15.964 1.00 44.44 C ATOM 404 C ASP A 807 12.187 17.805 -14.731 1.00 65.21 C ATOM 405 O ASP A 807 12.850 17.715 -13.699 1.00 21.23 O ATOM 406 CB ASP A 807 13.259 17.427 -16.930 1.00 43.03 C ATOM 407 CG ASP A 807 13.867 17.955 -18.231 1.00 50.43 C ATOM 408 OD1 ASP A 807 13.827 17.285 -19.273 1.00 65.53 O ATOM 409 OD2 ASP A 807 14.406 19.124 -18.146 1.00 1.32 O ATOM 0 H ASP A 807 14.624 18.913 -15.093 1.00 75.10 H new ATOM 0 HA ASP A 807 12.004 19.111 -16.459 1.00 44.44 H new ATOM 0 HB2 ASP A 807 14.005 16.818 -16.419 1.00 43.03 H new ATOM 0 HB3 ASP A 807 12.426 16.769 -17.177 1.00 43.03 H new ATOM 415 N ILE A 808 10.961 17.327 -14.879 1.00 55.33 N ATOM 416 CA ILE A 808 10.289 16.639 -13.790 1.00 71.43 C ATOM 417 C ILE A 808 10.201 15.146 -14.114 1.00 21.21 C ATOM 418 O ILE A 808 10.097 14.764 -15.279 1.00 1.53 O ATOM 419 CB ILE A 808 8.933 17.286 -13.502 1.00 50.11 C ATOM 420 CG1 ILE A 808 8.338 17.901 -14.771 1.00 3.13 C ATOM 421 CG2 ILE A 808 9.043 18.307 -12.367 1.00 71.35 C ATOM 422 CD1 ILE A 808 9.043 19.212 -15.127 1.00 31.32 C ATOM 0 H ILE A 808 10.415 17.402 -15.737 1.00 55.33 H new ATOM 0 HA ILE A 808 10.863 16.733 -12.868 1.00 71.43 H new ATOM 0 HB ILE A 808 8.246 16.507 -13.170 1.00 50.11 H new ATOM 0 HG12 ILE A 808 8.431 17.198 -15.598 1.00 3.13 H new ATOM 0 HG13 ILE A 808 7.273 18.084 -14.626 1.00 3.13 H new ATOM 0 HG21 ILE A 808 8.065 18.752 -12.182 1.00 71.35 H new ATOM 0 HG22 ILE A 808 9.392 17.809 -11.462 1.00 71.35 H new ATOM 0 HG23 ILE A 808 9.750 19.088 -12.647 1.00 71.35 H new ATOM 0 HD11 ILE A 808 8.601 19.628 -16.032 1.00 31.32 H new ATOM 0 HD12 ILE A 808 8.928 19.921 -14.308 1.00 31.32 H new ATOM 0 HD13 ILE A 808 10.103 19.021 -15.295 1.00 31.32 H new ATOM 434 N ILE A 809 10.246 14.341 -13.062 1.00 43.31 N ATOM 435 CA ILE A 809 10.173 12.899 -13.220 1.00 22.33 C ATOM 436 C ILE A 809 8.954 12.368 -12.462 1.00 41.43 C ATOM 437 O ILE A 809 8.882 12.479 -11.239 1.00 63.14 O ATOM 438 CB ILE A 809 11.491 12.246 -12.798 1.00 1.14 C ATOM 439 CG1 ILE A 809 12.538 12.356 -13.908 1.00 73.13 C ATOM 440 CG2 ILE A 809 11.270 10.797 -12.360 1.00 32.13 C ATOM 441 CD1 ILE A 809 13.240 13.715 -13.867 1.00 61.54 C ATOM 0 H ILE A 809 10.332 14.661 -12.097 1.00 43.31 H new ATOM 0 HA ILE A 809 10.036 12.638 -14.269 1.00 22.33 H new ATOM 0 HB ILE A 809 11.879 12.787 -11.935 1.00 1.14 H new ATOM 0 HG12 ILE A 809 13.274 11.559 -13.799 1.00 73.13 H new ATOM 0 HG13 ILE A 809 12.061 12.218 -14.878 1.00 73.13 H new ATOM 0 HG21 ILE A 809 12.223 10.357 -12.065 1.00 32.13 H new ATOM 0 HG22 ILE A 809 10.582 10.773 -11.515 1.00 32.13 H new ATOM 0 HG23 ILE A 809 10.847 10.227 -13.188 1.00 32.13 H new ATOM 0 HD11 ILE A 809 13.979 13.767 -14.666 1.00 61.54 H new ATOM 0 HD12 ILE A 809 12.505 14.509 -14.001 1.00 61.54 H new ATOM 0 HD13 ILE A 809 13.737 13.839 -12.905 1.00 61.54 H new ATOM 453 N LYS A 810 8.026 11.804 -13.221 1.00 13.14 N ATOM 454 CA LYS A 810 6.813 11.256 -12.636 1.00 43.43 C ATOM 455 C LYS A 810 7.148 9.957 -11.902 1.00 23.31 C ATOM 456 O LYS A 810 7.524 8.966 -12.526 1.00 61.23 O ATOM 457 CB LYS A 810 5.729 11.098 -13.704 1.00 34.44 C ATOM 458 CG LYS A 810 4.599 10.193 -13.207 1.00 60.20 C ATOM 459 CD LYS A 810 4.138 10.609 -11.809 1.00 31.23 C ATOM 460 CE LYS A 810 2.654 10.296 -11.605 1.00 22.20 C ATOM 461 NZ LYS A 810 2.286 10.437 -10.178 1.00 51.15 N ATOM 0 H LYS A 810 8.089 11.714 -14.235 1.00 13.14 H new ATOM 0 HA LYS A 810 6.402 11.943 -11.896 1.00 43.43 H new ATOM 0 HB2 LYS A 810 5.327 12.076 -13.967 1.00 34.44 H new ATOM 0 HB3 LYS A 810 6.165 10.678 -14.610 1.00 34.44 H new ATOM 0 HG2 LYS A 810 3.759 10.240 -13.900 1.00 60.20 H new ATOM 0 HG3 LYS A 810 4.939 9.158 -13.189 1.00 60.20 H new ATOM 0 HD2 LYS A 810 4.730 10.088 -11.057 1.00 31.23 H new ATOM 0 HD3 LYS A 810 4.311 11.676 -11.668 1.00 31.23 H new ATOM 0 HE2 LYS A 810 2.048 10.969 -12.211 1.00 22.20 H new ATOM 0 HE3 LYS A 810 2.440 9.282 -11.943 1.00 22.20 H new ATOM 0 HZ1 LYS A 810 1.276 10.221 -10.057 1.00 51.15 H new ATOM 0 HZ2 LYS A 810 2.852 9.777 -9.607 1.00 51.15 H new ATOM 0 HZ3 LYS A 810 2.471 11.412 -9.866 1.00 51.15 H new ATOM 474 N ILE A 811 7.000 10.003 -10.586 1.00 60.11 N ATOM 475 CA ILE A 811 7.282 8.841 -9.760 1.00 2.30 C ATOM 476 C ILE A 811 6.202 7.782 -9.990 1.00 41.54 C ATOM 477 O ILE A 811 5.011 8.076 -9.903 1.00 11.40 O ATOM 478 CB ILE A 811 7.438 9.252 -8.294 1.00 65.53 C ATOM 479 CG1 ILE A 811 8.415 10.421 -8.153 1.00 64.43 C ATOM 480 CG2 ILE A 811 7.847 8.056 -7.431 1.00 14.11 C ATOM 481 CD1 ILE A 811 9.865 9.931 -8.184 1.00 74.22 C ATOM 0 H ILE A 811 6.688 10.827 -10.071 1.00 60.11 H new ATOM 0 HA ILE A 811 8.234 8.393 -10.045 1.00 2.30 H new ATOM 0 HB ILE A 811 6.470 9.596 -7.930 1.00 65.53 H new ATOM 0 HG12 ILE A 811 8.252 11.136 -8.960 1.00 64.43 H new ATOM 0 HG13 ILE A 811 8.225 10.947 -7.218 1.00 64.43 H new ATOM 0 HG21 ILE A 811 7.951 8.374 -6.394 1.00 14.11 H new ATOM 0 HG22 ILE A 811 7.083 7.281 -7.498 1.00 14.11 H new ATOM 0 HG23 ILE A 811 8.798 7.659 -7.786 1.00 14.11 H new ATOM 0 HD11 ILE A 811 10.539 10.782 -8.082 1.00 74.22 H new ATOM 0 HD12 ILE A 811 10.032 9.235 -7.362 1.00 74.22 H new ATOM 0 HD13 ILE A 811 10.058 9.426 -9.131 1.00 74.22 H new ATOM 493 N LEU A 812 6.657 6.572 -10.280 1.00 41.44 N ATOM 494 CA LEU A 812 5.745 5.468 -10.524 1.00 55.21 C ATOM 495 C LEU A 812 6.010 4.359 -9.505 1.00 33.44 C ATOM 496 O LEU A 812 5.080 3.847 -8.883 1.00 31.21 O ATOM 497 CB LEU A 812 5.842 5.003 -11.978 1.00 43.34 C ATOM 498 CG LEU A 812 5.924 6.110 -13.032 1.00 71.32 C ATOM 499 CD1 LEU A 812 6.677 5.629 -14.274 1.00 43.41 C ATOM 500 CD2 LEU A 812 4.532 6.642 -13.377 1.00 14.42 C ATOM 0 H LEU A 812 7.646 6.332 -10.351 1.00 41.44 H new ATOM 0 HA LEU A 812 4.713 5.789 -10.385 1.00 55.21 H new ATOM 0 HB2 LEU A 812 6.722 4.368 -12.078 1.00 43.34 H new ATOM 0 HB3 LEU A 812 4.974 4.382 -12.199 1.00 43.34 H new ATOM 0 HG LEU A 812 6.492 6.940 -12.612 1.00 71.32 H new ATOM 0 HD11 LEU A 812 6.721 6.434 -15.007 1.00 43.41 H new ATOM 0 HD12 LEU A 812 7.689 5.336 -13.995 1.00 43.41 H new ATOM 0 HD13 LEU A 812 6.158 4.773 -14.706 1.00 43.41 H new ATOM 0 HD21 LEU A 812 4.618 7.427 -14.128 1.00 14.42 H new ATOM 0 HD22 LEU A 812 3.919 5.830 -13.770 1.00 14.42 H new ATOM 0 HD23 LEU A 812 4.065 7.048 -12.480 1.00 14.42 H new ATOM 512 N ASN A 813 7.283 4.019 -9.365 1.00 12.55 N ATOM 513 CA ASN A 813 7.682 2.980 -8.431 1.00 61.11 C ATOM 514 C ASN A 813 8.648 3.569 -7.401 1.00 65.25 C ATOM 515 O ASN A 813 9.396 4.497 -7.706 1.00 62.33 O ATOM 516 CB ASN A 813 8.399 1.837 -9.153 1.00 10.30 C ATOM 517 CG ASN A 813 8.121 0.497 -8.469 1.00 61.04 C ATOM 518 OD1 ASN A 813 7.489 0.421 -7.429 1.00 33.31 O ATOM 519 ND2 ASN A 813 8.628 -0.552 -9.110 1.00 73.44 N ATOM 0 H ASN A 813 8.052 4.445 -9.883 1.00 12.55 H new ATOM 0 HA ASN A 813 6.783 2.595 -7.950 1.00 61.11 H new ATOM 0 HB2 ASN A 813 8.070 1.795 -10.191 1.00 10.30 H new ATOM 0 HB3 ASN A 813 9.472 2.027 -9.166 1.00 10.30 H new ATOM 0 HD21 ASN A 813 8.497 -1.491 -8.734 1.00 73.44 H new ATOM 0 HD22 ASN A 813 9.147 -0.417 -9.977 1.00 73.44 H new ATOM 526 N LYS A 814 8.602 3.005 -6.203 1.00 52.23 N ATOM 527 CA LYS A 814 9.464 3.463 -5.127 1.00 31.21 C ATOM 528 C LYS A 814 10.040 2.252 -4.391 1.00 65.42 C ATOM 529 O LYS A 814 9.585 1.908 -3.302 1.00 34.23 O ATOM 530 CB LYS A 814 8.713 4.436 -4.216 1.00 31.33 C ATOM 531 CG LYS A 814 8.347 5.718 -4.966 1.00 33.02 C ATOM 532 CD LYS A 814 9.269 6.871 -4.563 1.00 74.24 C ATOM 533 CE LYS A 814 8.610 7.755 -3.503 1.00 13.20 C ATOM 534 NZ LYS A 814 8.628 7.084 -2.184 1.00 4.10 N ATOM 0 H LYS A 814 7.981 2.235 -5.954 1.00 52.23 H new ATOM 0 HA LYS A 814 10.308 4.025 -5.528 1.00 31.21 H new ATOM 0 HB2 LYS A 814 7.808 3.961 -3.838 1.00 31.33 H new ATOM 0 HB3 LYS A 814 9.330 4.680 -3.351 1.00 31.33 H new ATOM 0 HG2 LYS A 814 8.419 5.548 -6.040 1.00 33.02 H new ATOM 0 HG3 LYS A 814 7.312 5.985 -4.754 1.00 33.02 H new ATOM 0 HD2 LYS A 814 10.208 6.473 -4.177 1.00 74.24 H new ATOM 0 HD3 LYS A 814 9.513 7.470 -5.440 1.00 74.24 H new ATOM 0 HE2 LYS A 814 9.134 8.709 -3.440 1.00 13.20 H new ATOM 0 HE3 LYS A 814 7.582 7.975 -3.792 1.00 13.20 H new ATOM 0 HZ1 LYS A 814 8.132 7.675 -1.487 1.00 4.10 H new ATOM 0 HZ2 LYS A 814 8.152 6.162 -2.257 1.00 4.10 H new ATOM 0 HZ3 LYS A 814 9.612 6.943 -1.880 1.00 4.10 H new ATOM 547 N LYS A 815 11.035 1.638 -5.016 1.00 74.11 N ATOM 548 CA LYS A 815 11.678 0.472 -4.434 1.00 42.33 C ATOM 549 C LYS A 815 11.872 0.698 -2.933 1.00 74.24 C ATOM 550 O LYS A 815 11.137 0.141 -2.119 1.00 11.42 O ATOM 551 CB LYS A 815 12.975 0.148 -5.180 1.00 14.25 C ATOM 552 CG LYS A 815 12.714 -0.815 -6.340 1.00 1.14 C ATOM 553 CD LYS A 815 12.655 -2.262 -5.848 1.00 34.44 C ATOM 554 CE LYS A 815 13.934 -2.640 -5.099 1.00 2.13 C ATOM 555 NZ LYS A 815 14.223 -4.083 -5.260 1.00 52.51 N ATOM 0 H LYS A 815 11.411 1.926 -5.919 1.00 74.11 H new ATOM 0 HA LYS A 815 11.045 -0.408 -4.545 1.00 42.33 H new ATOM 0 HB2 LYS A 815 13.420 1.068 -5.559 1.00 14.25 H new ATOM 0 HB3 LYS A 815 13.695 -0.294 -4.491 1.00 14.25 H new ATOM 0 HG2 LYS A 815 11.775 -0.555 -6.829 1.00 1.14 H new ATOM 0 HG3 LYS A 815 13.502 -0.713 -7.087 1.00 1.14 H new ATOM 0 HD2 LYS A 815 11.794 -2.392 -5.193 1.00 34.44 H new ATOM 0 HD3 LYS A 815 12.514 -2.932 -6.696 1.00 34.44 H new ATOM 0 HE2 LYS A 815 14.770 -2.051 -5.476 1.00 2.13 H new ATOM 0 HE3 LYS A 815 13.827 -2.401 -4.041 1.00 2.13 H new ATOM 0 HZ1 LYS A 815 15.094 -4.322 -4.745 1.00 52.51 H new ATOM 0 HZ2 LYS A 815 13.432 -4.640 -4.879 1.00 52.51 H new ATOM 0 HZ3 LYS A 815 14.346 -4.302 -6.269 1.00 52.51 H new ATOM 568 N GLY A 816 12.864 1.515 -2.613 1.00 61.03 N ATOM 569 CA GLY A 816 13.163 1.821 -1.225 1.00 23.03 C ATOM 570 C GLY A 816 13.719 3.239 -1.083 1.00 41.53 C ATOM 571 O GLY A 816 13.895 3.943 -2.077 1.00 23.12 O ATOM 0 H GLY A 816 13.471 1.975 -3.291 1.00 61.03 H new ATOM 0 HA2 GLY A 816 12.260 1.719 -0.624 1.00 23.03 H new ATOM 0 HA3 GLY A 816 13.886 1.103 -0.838 1.00 23.03 H new ATOM 575 N GLN A 817 13.980 3.617 0.160 1.00 52.34 N ATOM 576 CA GLN A 817 14.512 4.939 0.444 1.00 40.21 C ATOM 577 C GLN A 817 16.025 4.962 0.220 1.00 64.41 C ATOM 578 O GLN A 817 16.745 4.105 0.732 1.00 51.15 O ATOM 579 CB GLN A 817 14.162 5.377 1.868 1.00 70.45 C ATOM 580 CG GLN A 817 14.083 6.901 1.969 1.00 51.21 C ATOM 581 CD GLN A 817 14.162 7.359 3.427 1.00 74.41 C ATOM 582 OE1 GLN A 817 14.817 6.754 4.260 1.00 73.33 O ATOM 583 NE2 GLN A 817 13.460 8.458 3.688 1.00 75.42 N ATOM 0 H GLN A 817 13.833 3.031 0.982 1.00 52.34 H new ATOM 0 HA GLN A 817 14.052 5.649 -0.243 1.00 40.21 H new ATOM 0 HB2 GLN A 817 13.208 4.940 2.163 1.00 70.45 H new ATOM 0 HB3 GLN A 817 14.913 5.001 2.563 1.00 70.45 H new ATOM 0 HG2 GLN A 817 14.896 7.349 1.399 1.00 51.21 H new ATOM 0 HG3 GLN A 817 13.151 7.251 1.524 1.00 51.21 H new ATOM 0 HE21 GLN A 817 12.933 8.915 2.944 1.00 75.42 H new ATOM 0 HE22 GLN A 817 13.448 8.843 4.632 1.00 75.42 H new ATOM 592 N GLN A 818 16.464 5.950 -0.545 1.00 54.43 N ATOM 593 CA GLN A 818 17.878 6.096 -0.843 1.00 64.43 C ATOM 594 C GLN A 818 18.334 4.996 -1.805 1.00 31.15 C ATOM 595 O GLN A 818 19.446 4.483 -1.685 1.00 14.23 O ATOM 596 CB GLN A 818 18.713 6.083 0.439 1.00 12.30 C ATOM 597 CG GLN A 818 20.006 6.881 0.259 1.00 0.04 C ATOM 598 CD GLN A 818 21.074 6.425 1.255 1.00 23.12 C ATOM 599 OE1 GLN A 818 20.829 6.267 2.440 1.00 53.41 O ATOM 600 NE2 GLN A 818 22.271 6.222 0.710 1.00 15.23 N ATOM 0 H GLN A 818 15.864 6.658 -0.968 1.00 54.43 H new ATOM 0 HA GLN A 818 18.029 7.061 -1.327 1.00 64.43 H new ATOM 0 HB2 GLN A 818 18.133 6.505 1.260 1.00 12.30 H new ATOM 0 HB3 GLN A 818 18.951 5.055 0.712 1.00 12.30 H new ATOM 0 HG2 GLN A 818 20.376 6.757 -0.759 1.00 0.04 H new ATOM 0 HG3 GLN A 818 19.804 7.943 0.397 1.00 0.04 H new ATOM 0 HE21 GLN A 818 22.409 6.373 -0.289 1.00 15.23 H new ATOM 0 HE22 GLN A 818 23.051 5.916 1.292 1.00 15.23 H new ATOM 609 N GLY A 819 17.452 4.666 -2.736 1.00 71.14 N ATOM 610 CA GLY A 819 17.750 3.636 -3.718 1.00 15.44 C ATOM 611 C GLY A 819 17.615 4.181 -5.141 1.00 62.43 C ATOM 612 O GLY A 819 18.362 5.072 -5.542 1.00 62.21 O ATOM 0 H GLY A 819 16.531 5.093 -2.832 1.00 71.14 H new ATOM 0 HA2 GLY A 819 18.762 3.262 -3.562 1.00 15.44 H new ATOM 0 HA3 GLY A 819 17.074 2.792 -3.582 1.00 15.44 H new ATOM 616 N TRP A 820 16.658 3.622 -5.866 1.00 74.54 N ATOM 617 CA TRP A 820 16.416 4.040 -7.237 1.00 32.41 C ATOM 618 C TRP A 820 14.906 4.010 -7.481 1.00 14.13 C ATOM 619 O TRP A 820 14.273 2.963 -7.354 1.00 20.22 O ATOM 620 CB TRP A 820 17.198 3.168 -8.222 1.00 15.21 C ATOM 621 CG TRP A 820 16.701 1.724 -8.305 1.00 34.41 C ATOM 622 CD1 TRP A 820 16.404 0.894 -7.295 1.00 63.33 C ATOM 623 CD2 TRP A 820 16.452 0.968 -9.509 1.00 22.41 C ATOM 624 NE1 TRP A 820 15.985 -0.337 -7.758 1.00 50.15 N ATOM 625 CE2 TRP A 820 16.015 -0.290 -9.147 1.00 70.44 C ATOM 626 CE3 TRP A 820 16.592 1.335 -10.859 1.00 23.31 C ATOM 627 CZ2 TRP A 820 15.682 -1.283 -10.077 1.00 44.11 C ATOM 628 CZ3 TRP A 820 16.256 0.331 -11.776 1.00 11.53 C ATOM 629 CH2 TRP A 820 15.814 -0.940 -11.428 1.00 3.21 C ATOM 0 H TRP A 820 16.040 2.883 -5.530 1.00 74.54 H new ATOM 0 HA TRP A 820 16.775 5.056 -7.399 1.00 32.41 H new ATOM 0 HB2 TRP A 820 17.142 3.618 -9.213 1.00 15.21 H new ATOM 0 HB3 TRP A 820 18.249 3.164 -7.932 1.00 15.21 H new ATOM 0 HD1 TRP A 820 16.483 1.156 -6.250 1.00 63.33 H new ATOM 0 HE1 TRP A 820 15.705 -1.134 -7.186 1.00 50.15 H new ATOM 0 HE3 TRP A 820 16.932 2.314 -11.165 1.00 23.31 H new ATOM 0 HZ2 TRP A 820 15.342 -2.261 -9.769 1.00 44.11 H new ATOM 0 HZ3 TRP A 820 16.347 0.561 -12.827 1.00 11.53 H new ATOM 0 HH2 TRP A 820 15.573 -1.660 -12.196 1.00 3.21 H new ATOM 640 N TRP A 821 14.371 5.172 -7.827 1.00 5.25 N ATOM 641 CA TRP A 821 12.947 5.293 -8.089 1.00 65.33 C ATOM 642 C TRP A 821 12.721 5.061 -9.585 1.00 4.23 C ATOM 643 O TRP A 821 13.644 5.205 -10.385 1.00 62.42 O ATOM 644 CB TRP A 821 12.413 6.642 -7.606 1.00 1.22 C ATOM 645 CG TRP A 821 12.504 6.841 -6.092 1.00 4.44 C ATOM 646 CD1 TRP A 821 12.318 5.930 -5.127 1.00 5.11 C ATOM 647 CD2 TRP A 821 12.814 8.072 -5.403 1.00 61.43 C ATOM 648 NE1 TRP A 821 12.485 6.481 -3.872 1.00 71.43 N ATOM 649 CE2 TRP A 821 12.796 7.824 -4.046 1.00 10.21 C ATOM 650 CE3 TRP A 821 13.100 9.351 -5.911 1.00 43.01 C ATOM 651 CZ2 TRP A 821 13.056 8.808 -3.084 1.00 33.41 C ATOM 652 CZ3 TRP A 821 13.358 10.323 -4.937 1.00 34.13 C ATOM 653 CH2 TRP A 821 13.343 10.090 -3.566 1.00 61.15 C ATOM 0 H TRP A 821 14.899 6.039 -7.932 1.00 5.25 H new ATOM 0 HA TRP A 821 12.387 4.543 -7.531 1.00 65.33 H new ATOM 0 HB2 TRP A 821 12.968 7.439 -8.101 1.00 1.22 H new ATOM 0 HB3 TRP A 821 11.372 6.740 -7.913 1.00 1.22 H new ATOM 0 HD1 TRP A 821 12.069 4.895 -5.308 1.00 5.11 H new ATOM 0 HE1 TRP A 821 12.396 5.992 -2.981 1.00 71.43 H new ATOM 0 HE3 TRP A 821 13.119 9.567 -6.969 1.00 43.01 H new ATOM 0 HZ2 TRP A 821 13.036 8.589 -2.027 1.00 33.41 H new ATOM 0 HZ3 TRP A 821 13.585 11.324 -5.274 1.00 34.13 H new ATOM 0 HH2 TRP A 821 13.552 10.895 -2.877 1.00 61.15 H new ATOM 664 N ARG A 822 11.489 4.707 -9.916 1.00 75.14 N ATOM 665 CA ARG A 822 11.129 4.454 -11.301 1.00 45.25 C ATOM 666 C ARG A 822 10.060 5.447 -11.762 1.00 45.04 C ATOM 667 O ARG A 822 8.968 5.494 -11.199 1.00 50.12 O ATOM 668 CB ARG A 822 10.604 3.029 -11.483 1.00 31.21 C ATOM 669 CG ARG A 822 10.402 2.703 -12.964 1.00 43.12 C ATOM 670 CD ARG A 822 9.446 1.522 -13.141 1.00 13.13 C ATOM 671 NE ARG A 822 8.148 1.821 -12.496 1.00 12.33 N ATOM 672 CZ ARG A 822 7.193 0.898 -12.252 1.00 3.44 C ATOM 673 NH1 ARG A 822 7.384 -0.393 -12.597 1.00 40.54 N ATOM 674 NH2 ARG A 822 6.071 1.277 -11.670 1.00 14.23 N ATOM 0 H ARG A 822 10.726 4.589 -9.249 1.00 75.14 H new ATOM 0 HA ARG A 822 12.028 4.577 -11.904 1.00 45.25 H new ATOM 0 HB2 ARG A 822 11.306 2.320 -11.044 1.00 31.21 H new ATOM 0 HB3 ARG A 822 9.660 2.915 -10.950 1.00 31.21 H new ATOM 0 HG2 ARG A 822 10.006 3.577 -13.481 1.00 43.12 H new ATOM 0 HG3 ARG A 822 11.363 2.469 -13.423 1.00 43.12 H new ATOM 0 HD2 ARG A 822 9.297 1.320 -14.202 1.00 13.13 H new ATOM 0 HD3 ARG A 822 9.880 0.623 -12.704 1.00 13.13 H new ATOM 0 HE ARG A 822 7.963 2.785 -12.218 1.00 12.33 H new ATOM 0 HH11 ARG A 822 8.255 -0.678 -13.046 1.00 40.54 H new ATOM 0 HH12 ARG A 822 6.658 -1.084 -12.409 1.00 40.54 H new ATOM 0 HH21 ARG A 822 5.935 2.254 -11.412 1.00 14.23 H new ATOM 0 HH22 ARG A 822 5.339 0.593 -11.479 1.00 14.23 H new ATOM 687 N GLY A 823 10.413 6.216 -12.782 1.00 71.11 N ATOM 688 CA GLY A 823 9.497 7.205 -13.325 1.00 63.01 C ATOM 689 C GLY A 823 9.521 7.193 -14.855 1.00 21.21 C ATOM 690 O GLY A 823 9.965 6.221 -15.465 1.00 1.23 O ATOM 0 H GLY A 823 11.320 6.174 -13.246 1.00 71.11 H new ATOM 0 HA2 GLY A 823 8.486 7.002 -12.972 1.00 63.01 H new ATOM 0 HA3 GLY A 823 9.769 8.196 -12.961 1.00 63.01 H new ATOM 694 N GLU A 824 9.038 8.284 -15.431 1.00 71.41 N ATOM 695 CA GLU A 824 8.998 8.411 -16.878 1.00 62.31 C ATOM 696 C GLU A 824 9.070 9.884 -17.284 1.00 5.23 C ATOM 697 O GLU A 824 8.761 10.767 -16.485 1.00 41.43 O ATOM 698 CB GLU A 824 7.747 7.745 -17.453 1.00 35.42 C ATOM 699 CG GLU A 824 7.419 8.299 -18.841 1.00 31.41 C ATOM 700 CD GLU A 824 6.162 7.639 -19.412 1.00 14.34 C ATOM 701 OE1 GLU A 824 5.045 7.942 -18.964 1.00 25.41 O ATOM 702 OE2 GLU A 824 6.374 6.785 -20.355 1.00 1.32 O ATOM 0 H GLU A 824 8.671 9.088 -14.922 1.00 71.41 H new ATOM 0 HA GLU A 824 9.866 7.897 -17.292 1.00 62.31 H new ATOM 0 HB2 GLU A 824 7.900 6.668 -17.515 1.00 35.42 H new ATOM 0 HB3 GLU A 824 6.903 7.909 -16.783 1.00 35.42 H new ATOM 0 HG2 GLU A 824 7.272 9.377 -18.781 1.00 31.41 H new ATOM 0 HG3 GLU A 824 8.260 8.129 -19.513 1.00 31.41 H new ATOM 710 N ILE A 825 9.481 10.104 -18.524 1.00 52.11 N ATOM 711 CA ILE A 825 9.598 11.455 -19.045 1.00 54.43 C ATOM 712 C ILE A 825 9.367 11.436 -20.558 1.00 35.24 C ATOM 713 O ILE A 825 10.058 10.725 -21.286 1.00 1.53 O ATOM 714 CB ILE A 825 10.936 12.074 -18.636 1.00 33.14 C ATOM 715 CG1 ILE A 825 10.863 12.651 -17.220 1.00 73.33 C ATOM 716 CG2 ILE A 825 11.393 13.117 -19.657 1.00 0.30 C ATOM 717 CD1 ILE A 825 11.986 13.662 -16.982 1.00 32.02 C ATOM 0 H ILE A 825 9.737 9.369 -19.183 1.00 52.11 H new ATOM 0 HA ILE A 825 8.831 12.097 -18.612 1.00 54.43 H new ATOM 0 HB ILE A 825 11.688 11.285 -18.624 1.00 33.14 H new ATOM 0 HG12 ILE A 825 9.897 13.133 -17.069 1.00 73.33 H new ATOM 0 HG13 ILE A 825 10.934 11.844 -16.490 1.00 73.33 H new ATOM 0 HG21 ILE A 825 12.346 13.541 -19.342 1.00 0.30 H new ATOM 0 HG22 ILE A 825 11.511 12.644 -20.632 1.00 0.30 H new ATOM 0 HG23 ILE A 825 10.648 13.910 -19.726 1.00 0.30 H new ATOM 0 HD11 ILE A 825 11.911 14.057 -15.969 1.00 32.02 H new ATOM 0 HD12 ILE A 825 12.951 13.171 -17.110 1.00 32.02 H new ATOM 0 HD13 ILE A 825 11.897 14.480 -17.697 1.00 32.02 H new ATOM 729 N TYR A 826 8.392 12.224 -20.985 1.00 55.43 N ATOM 730 CA TYR A 826 8.061 12.307 -22.398 1.00 34.42 C ATOM 731 C TYR A 826 7.641 10.940 -22.943 1.00 53.00 C ATOM 732 O TYR A 826 7.792 10.669 -24.133 1.00 43.43 O ATOM 733 CB TYR A 826 9.341 12.753 -23.106 1.00 3.24 C ATOM 734 CG TYR A 826 10.028 13.954 -22.451 1.00 73.41 C ATOM 735 CD1 TYR A 826 9.273 14.916 -21.812 1.00 11.23 C ATOM 736 CD2 TYR A 826 11.402 14.074 -22.500 1.00 13.11 C ATOM 737 CE1 TYR A 826 9.919 16.046 -21.196 1.00 0.14 C ATOM 738 CE2 TYR A 826 12.048 15.204 -21.884 1.00 33.01 C ATOM 739 CZ TYR A 826 11.275 16.134 -21.262 1.00 55.20 C ATOM 740 OH TYR A 826 11.885 17.201 -20.680 1.00 53.32 O ATOM 0 H TYR A 826 7.820 12.811 -20.378 1.00 55.43 H new ATOM 0 HA TYR A 826 7.233 12.997 -22.558 1.00 34.42 H new ATOM 0 HB2 TYR A 826 10.040 11.917 -23.132 1.00 3.24 H new ATOM 0 HB3 TYR A 826 9.104 13.002 -24.140 1.00 3.24 H new ATOM 0 HD1 TYR A 826 8.198 14.822 -21.774 1.00 11.23 H new ATOM 0 HD2 TYR A 826 11.993 13.321 -23.000 1.00 13.11 H new ATOM 0 HE1 TYR A 826 9.340 16.806 -20.693 1.00 0.14 H new ATOM 0 HE2 TYR A 826 13.122 15.311 -21.915 1.00 33.01 H new ATOM 0 HH TYR A 826 12.578 16.885 -20.064 1.00 53.32 H new ATOM 750 N GLY A 827 7.121 10.115 -22.046 1.00 62.11 N ATOM 751 CA GLY A 827 6.678 8.783 -22.422 1.00 44.03 C ATOM 752 C GLY A 827 7.814 7.768 -22.283 1.00 24.44 C ATOM 753 O GLY A 827 7.616 6.574 -22.506 1.00 1.42 O ATOM 0 H GLY A 827 6.997 10.343 -21.060 1.00 62.11 H new ATOM 0 HA2 GLY A 827 5.839 8.484 -21.793 1.00 44.03 H new ATOM 0 HA3 GLY A 827 6.318 8.793 -23.451 1.00 44.03 H new ATOM 757 N ARG A 828 8.980 8.279 -21.914 1.00 71.50 N ATOM 758 CA ARG A 828 10.148 7.431 -21.742 1.00 13.21 C ATOM 759 C ARG A 828 10.186 6.863 -20.322 1.00 25.21 C ATOM 760 O ARG A 828 10.389 7.601 -19.359 1.00 54.43 O ATOM 761 CB ARG A 828 11.437 8.210 -22.008 1.00 4.25 C ATOM 762 CG ARG A 828 11.465 8.754 -23.437 1.00 52.04 C ATOM 763 CD ARG A 828 12.902 8.895 -23.943 1.00 1.32 C ATOM 764 NE ARG A 828 12.911 9.011 -25.418 1.00 53.22 N ATOM 765 CZ ARG A 828 14.007 9.309 -26.148 1.00 11.34 C ATOM 766 NH1 ARG A 828 15.195 9.524 -25.543 1.00 15.51 N ATOM 767 NH2 ARG A 828 13.900 9.387 -27.461 1.00 11.31 N ATOM 0 H ARG A 828 9.141 9.269 -21.729 1.00 71.50 H new ATOM 0 HA ARG A 828 10.075 6.615 -22.461 1.00 13.21 H new ATOM 0 HB2 ARG A 828 11.520 9.034 -21.300 1.00 4.25 H new ATOM 0 HB3 ARG A 828 12.298 7.562 -21.845 1.00 4.25 H new ATOM 0 HG2 ARG A 828 10.908 8.087 -24.095 1.00 52.04 H new ATOM 0 HG3 ARG A 828 10.967 9.723 -23.471 1.00 52.04 H new ATOM 0 HD2 ARG A 828 13.368 9.774 -23.498 1.00 1.32 H new ATOM 0 HD3 ARG A 828 13.491 8.031 -23.634 1.00 1.32 H new ATOM 0 HE ARG A 828 12.034 8.856 -25.915 1.00 53.22 H new ATOM 0 HH11 ARG A 828 15.269 9.462 -24.528 1.00 15.51 H new ATOM 0 HH12 ARG A 828 16.018 9.749 -26.101 1.00 15.51 H new ATOM 0 HH21 ARG A 828 12.999 9.223 -27.910 1.00 11.31 H new ATOM 0 HH22 ARG A 828 14.718 9.611 -28.027 1.00 11.31 H new ATOM 780 N ILE A 829 9.990 5.555 -20.236 1.00 53.45 N ATOM 781 CA ILE A 829 10.000 4.880 -18.950 1.00 73.42 C ATOM 782 C ILE A 829 11.434 4.478 -18.601 1.00 2.20 C ATOM 783 O ILE A 829 12.273 4.323 -19.488 1.00 15.14 O ATOM 784 CB ILE A 829 9.017 3.707 -18.953 1.00 55.32 C ATOM 785 CG1 ILE A 829 7.599 4.182 -19.279 1.00 33.44 C ATOM 786 CG2 ILE A 829 9.075 2.939 -17.631 1.00 52.41 C ATOM 787 CD1 ILE A 829 6.844 4.569 -18.005 1.00 22.50 C ATOM 0 H ILE A 829 9.823 4.945 -21.036 1.00 53.45 H new ATOM 0 HA ILE A 829 9.656 5.553 -18.164 1.00 73.42 H new ATOM 0 HB ILE A 829 9.314 3.014 -19.740 1.00 55.32 H new ATOM 0 HG12 ILE A 829 7.644 5.037 -19.953 1.00 33.44 H new ATOM 0 HG13 ILE A 829 7.058 3.393 -19.801 1.00 33.44 H new ATOM 0 HG21 ILE A 829 8.367 2.111 -17.660 1.00 52.41 H new ATOM 0 HG22 ILE A 829 10.082 2.550 -17.480 1.00 52.41 H new ATOM 0 HG23 ILE A 829 8.818 3.608 -16.810 1.00 52.41 H new ATOM 0 HD11 ILE A 829 5.839 4.903 -18.265 1.00 22.50 H new ATOM 0 HD12 ILE A 829 6.780 3.705 -17.344 1.00 22.50 H new ATOM 0 HD13 ILE A 829 7.375 5.375 -17.498 1.00 22.50 H new ATOM 799 N GLY A 830 11.673 4.322 -17.307 1.00 74.41 N ATOM 800 CA GLY A 830 12.991 3.941 -16.830 1.00 2.22 C ATOM 801 C GLY A 830 13.129 4.208 -15.330 1.00 3.25 C ATOM 802 O GLY A 830 12.148 4.523 -14.658 1.00 73.34 O ATOM 0 H GLY A 830 10.976 4.453 -16.574 1.00 74.41 H new ATOM 0 HA2 GLY A 830 13.163 2.884 -17.032 1.00 2.22 H new ATOM 0 HA3 GLY A 830 13.754 4.498 -17.374 1.00 2.22 H new ATOM 806 N TRP A 831 14.356 4.073 -14.847 1.00 71.13 N ATOM 807 CA TRP A 831 14.635 4.295 -13.439 1.00 2.52 C ATOM 808 C TRP A 831 15.723 5.366 -13.336 1.00 10.50 C ATOM 809 O TRP A 831 16.146 5.926 -14.347 1.00 32.05 O ATOM 810 CB TRP A 831 15.016 2.988 -12.742 1.00 70.21 C ATOM 811 CG TRP A 831 13.943 1.901 -12.830 1.00 20.52 C ATOM 812 CD1 TRP A 831 13.382 1.382 -13.931 1.00 12.13 C ATOM 813 CD2 TRP A 831 13.321 1.215 -11.722 1.00 61.15 C ATOM 814 NE1 TRP A 831 12.447 0.417 -13.615 1.00 65.44 N ATOM 815 CE2 TRP A 831 12.410 0.312 -12.230 1.00 34.31 C ATOM 816 CE3 TRP A 831 13.522 1.353 -10.338 1.00 4.41 C ATOM 817 CZ2 TRP A 831 11.627 -0.523 -11.423 1.00 50.01 C ATOM 818 CZ3 TRP A 831 12.733 0.512 -9.545 1.00 55.11 C ATOM 819 CH2 TRP A 831 11.810 -0.402 -10.040 1.00 63.44 C ATOM 0 H TRP A 831 15.168 3.813 -15.407 1.00 71.13 H new ATOM 0 HA TRP A 831 13.744 4.652 -12.921 1.00 2.52 H new ATOM 0 HB2 TRP A 831 15.939 2.610 -13.181 1.00 70.21 H new ATOM 0 HB3 TRP A 831 15.224 3.195 -11.692 1.00 70.21 H new ATOM 0 HD1 TRP A 831 13.630 1.681 -14.939 1.00 12.13 H new ATOM 0 HE1 TRP A 831 11.886 -0.120 -14.276 1.00 65.44 H new ATOM 0 HE3 TRP A 831 14.230 2.053 -9.919 1.00 4.41 H new ATOM 0 HZ2 TRP A 831 10.920 -1.222 -11.845 1.00 50.01 H new ATOM 0 HZ3 TRP A 831 12.849 0.578 -8.473 1.00 55.11 H new ATOM 0 HH2 TRP A 831 11.237 -1.016 -9.361 1.00 63.44 H new ATOM 830 N PHE A 832 16.145 5.620 -12.106 1.00 30.42 N ATOM 831 CA PHE A 832 17.175 6.614 -11.858 1.00 24.42 C ATOM 832 C PHE A 832 17.514 6.692 -10.368 1.00 24.12 C ATOM 833 O PHE A 832 16.733 6.252 -9.526 1.00 24.52 O ATOM 834 CB PHE A 832 16.615 7.962 -12.313 1.00 15.34 C ATOM 835 CG PHE A 832 15.255 8.309 -11.702 1.00 23.14 C ATOM 836 CD1 PHE A 832 14.112 7.870 -12.293 1.00 20.51 C ATOM 837 CD2 PHE A 832 15.190 9.056 -10.567 1.00 43.54 C ATOM 838 CE1 PHE A 832 12.851 8.191 -11.726 1.00 14.21 C ATOM 839 CE2 PHE A 832 13.929 9.378 -10.000 1.00 53.24 C ATOM 840 CZ PHE A 832 12.785 8.939 -10.592 1.00 25.23 C ATOM 0 H PHE A 832 15.792 5.154 -11.270 1.00 30.42 H new ATOM 0 HA PHE A 832 18.085 6.349 -12.397 1.00 24.42 H new ATOM 0 HB2 PHE A 832 17.328 8.745 -12.056 1.00 15.34 H new ATOM 0 HB3 PHE A 832 16.524 7.958 -13.399 1.00 15.34 H new ATOM 0 HD1 PHE A 832 14.164 7.277 -13.194 1.00 20.51 H new ATOM 0 HD2 PHE A 832 16.098 9.404 -10.097 1.00 43.54 H new ATOM 0 HE1 PHE A 832 11.943 7.841 -12.195 1.00 14.21 H new ATOM 0 HE2 PHE A 832 13.878 9.971 -9.099 1.00 53.24 H new ATOM 0 HZ PHE A 832 11.825 9.184 -10.162 1.00 25.23 H new ATOM 850 N PRO A 833 18.711 7.271 -10.080 1.00 61.43 N ATOM 851 CA PRO A 833 19.163 7.412 -8.707 1.00 1.33 C ATOM 852 C PRO A 833 18.409 8.537 -7.994 1.00 72.15 C ATOM 853 O PRO A 833 18.013 9.518 -8.622 1.00 33.02 O ATOM 854 CB PRO A 833 20.657 7.671 -8.809 1.00 4.00 C ATOM 855 CG PRO A 833 20.905 8.126 -10.238 1.00 72.22 C ATOM 856 CD PRO A 833 19.662 7.803 -11.052 1.00 10.54 C ATOM 0 HA PRO A 833 18.966 6.524 -8.106 1.00 1.33 H new ATOM 0 HB2 PRO A 833 20.971 8.434 -8.096 1.00 4.00 H new ATOM 0 HB3 PRO A 833 21.226 6.769 -8.582 1.00 4.00 H new ATOM 0 HG2 PRO A 833 21.113 9.195 -10.267 1.00 72.22 H new ATOM 0 HG3 PRO A 833 21.776 7.620 -10.654 1.00 72.22 H new ATOM 0 HD2 PRO A 833 19.269 8.692 -11.545 1.00 10.54 H new ATOM 0 HD3 PRO A 833 19.879 7.075 -11.834 1.00 10.54 H new ATOM 864 N SER A 834 18.233 8.357 -6.694 1.00 21.13 N ATOM 865 CA SER A 834 17.534 9.344 -5.889 1.00 55.33 C ATOM 866 C SER A 834 18.484 10.484 -5.517 1.00 54.53 C ATOM 867 O SER A 834 18.110 11.392 -4.776 1.00 32.01 O ATOM 868 CB SER A 834 16.946 8.710 -4.627 1.00 53.12 C ATOM 869 OG SER A 834 17.878 8.703 -3.549 1.00 51.33 O ATOM 0 H SER A 834 18.563 7.542 -6.177 1.00 21.13 H new ATOM 0 HA SER A 834 16.710 9.744 -6.479 1.00 55.33 H new ATOM 0 HB2 SER A 834 16.052 9.257 -4.329 1.00 53.12 H new ATOM 0 HB3 SER A 834 16.636 7.688 -4.845 1.00 53.12 H new ATOM 0 HG SER A 834 17.395 8.761 -2.698 1.00 51.33 H new ATOM 875 N ASN A 835 19.694 10.401 -6.049 1.00 62.52 N ATOM 876 CA ASN A 835 20.701 11.414 -5.782 1.00 72.15 C ATOM 877 C ASN A 835 20.865 12.301 -7.018 1.00 41.02 C ATOM 878 O ASN A 835 21.670 13.231 -7.016 1.00 62.05 O ATOM 879 CB ASN A 835 22.057 10.776 -5.475 1.00 32.30 C ATOM 880 CG ASN A 835 21.910 9.635 -4.467 1.00 33.45 C ATOM 881 OD1 ASN A 835 21.526 9.826 -3.324 1.00 51.54 O ATOM 882 ND2 ASN A 835 22.235 8.439 -4.951 1.00 4.53 N ATOM 0 H ASN A 835 20.000 9.647 -6.664 1.00 62.52 H new ATOM 0 HA ASN A 835 20.374 11.996 -4.921 1.00 72.15 H new ATOM 0 HB2 ASN A 835 22.502 10.398 -6.395 1.00 32.30 H new ATOM 0 HB3 ASN A 835 22.737 11.531 -5.079 1.00 32.30 H new ATOM 0 HD21 ASN A 835 22.170 7.613 -4.356 1.00 4.53 H new ATOM 0 HD22 ASN A 835 22.549 8.348 -5.917 1.00 4.53 H new ATOM 889 N TYR A 836 20.089 11.982 -8.044 1.00 10.25 N ATOM 890 CA TYR A 836 20.138 12.739 -9.283 1.00 63.32 C ATOM 891 C TYR A 836 18.802 13.433 -9.555 1.00 45.32 C ATOM 892 O TYR A 836 18.598 13.994 -10.631 1.00 1.13 O ATOM 893 CB TYR A 836 20.403 11.717 -10.391 1.00 20.35 C ATOM 894 CG TYR A 836 21.887 11.437 -10.638 1.00 12.24 C ATOM 895 CD1 TYR A 836 22.682 10.972 -9.610 1.00 31.22 C ATOM 896 CD2 TYR A 836 22.430 11.650 -11.888 1.00 43.51 C ATOM 897 CE1 TYR A 836 24.078 10.709 -9.842 1.00 64.24 C ATOM 898 CE2 TYR A 836 23.827 11.387 -12.121 1.00 12.44 C ATOM 899 CZ TYR A 836 24.582 10.930 -11.086 1.00 70.53 C ATOM 900 OH TYR A 836 25.901 10.681 -11.306 1.00 11.11 O ATOM 0 H TYR A 836 19.423 11.209 -8.042 1.00 10.25 H new ATOM 0 HA TYR A 836 20.907 13.510 -9.232 1.00 63.32 H new ATOM 0 HB2 TYR A 836 19.905 10.782 -10.135 1.00 20.35 H new ATOM 0 HB3 TYR A 836 19.952 12.075 -11.317 1.00 20.35 H new ATOM 0 HD1 TYR A 836 22.257 10.805 -8.631 1.00 31.22 H new ATOM 0 HD2 TYR A 836 21.808 12.014 -12.692 1.00 43.51 H new ATOM 0 HE1 TYR A 836 24.711 10.344 -9.046 1.00 64.24 H new ATOM 0 HE2 TYR A 836 24.265 11.549 -13.095 1.00 12.44 H new ATOM 0 HH TYR A 836 26.121 10.883 -12.240 1.00 11.11 H new ATOM 910 N VAL A 837 17.928 13.373 -8.562 1.00 54.11 N ATOM 911 CA VAL A 837 16.617 13.989 -8.681 1.00 1.42 C ATOM 912 C VAL A 837 16.122 14.397 -7.292 1.00 4.53 C ATOM 913 O VAL A 837 16.652 13.939 -6.281 1.00 4.13 O ATOM 914 CB VAL A 837 15.657 13.042 -9.403 1.00 32.12 C ATOM 915 CG1 VAL A 837 16.271 12.528 -10.706 1.00 72.43 C ATOM 916 CG2 VAL A 837 15.246 11.881 -8.495 1.00 14.23 C ATOM 0 H VAL A 837 18.101 12.907 -7.671 1.00 54.11 H new ATOM 0 HA VAL A 837 16.674 14.895 -9.285 1.00 1.42 H new ATOM 0 HB VAL A 837 14.758 13.604 -9.655 1.00 32.12 H new ATOM 0 HG11 VAL A 837 15.568 11.857 -11.200 1.00 72.43 H new ATOM 0 HG12 VAL A 837 16.490 13.370 -11.362 1.00 72.43 H new ATOM 0 HG13 VAL A 837 17.193 11.990 -10.486 1.00 72.43 H new ATOM 0 HG21 VAL A 837 14.563 11.223 -9.032 1.00 14.23 H new ATOM 0 HG22 VAL A 837 16.132 11.320 -8.198 1.00 14.23 H new ATOM 0 HG23 VAL A 837 14.749 12.272 -7.607 1.00 14.23 H new ATOM 926 N GLU A 838 15.112 15.255 -7.287 1.00 24.15 N ATOM 927 CA GLU A 838 14.540 15.730 -6.038 1.00 63.12 C ATOM 928 C GLU A 838 13.012 15.719 -6.116 1.00 44.45 C ATOM 929 O GLU A 838 12.432 16.240 -7.068 1.00 4.41 O ATOM 930 CB GLU A 838 15.062 17.126 -5.692 1.00 71.02 C ATOM 931 CG GLU A 838 16.590 17.172 -5.757 1.00 11.03 C ATOM 932 CD GLU A 838 17.211 16.429 -4.572 1.00 42.02 C ATOM 933 OE1 GLU A 838 18.438 16.255 -4.524 1.00 0.42 O ATOM 934 OE2 GLU A 838 16.371 16.027 -3.680 1.00 22.43 O ATOM 0 H GLU A 838 14.675 15.633 -8.127 1.00 24.15 H new ATOM 0 HA GLU A 838 14.848 15.055 -5.240 1.00 63.12 H new ATOM 0 HB2 GLU A 838 14.643 17.857 -6.384 1.00 71.02 H new ATOM 0 HB3 GLU A 838 14.728 17.405 -4.693 1.00 71.02 H new ATOM 0 HG2 GLU A 838 16.932 16.725 -6.691 1.00 11.03 H new ATOM 0 HG3 GLU A 838 16.927 18.209 -5.758 1.00 11.03 H new ATOM 942 N GLU A 839 12.404 15.120 -5.103 1.00 51.35 N ATOM 943 CA GLU A 839 10.954 15.035 -5.046 1.00 4.13 C ATOM 944 C GLU A 839 10.432 15.727 -3.785 1.00 31.31 C ATOM 945 O GLU A 839 11.208 16.073 -2.896 1.00 31.24 O ATOM 946 CB GLU A 839 10.488 13.579 -5.106 1.00 0.23 C ATOM 947 CG GLU A 839 11.065 12.770 -3.943 1.00 4.04 C ATOM 948 CD GLU A 839 10.424 13.182 -2.616 1.00 51.22 C ATOM 949 OE1 GLU A 839 9.244 12.883 -2.378 1.00 63.55 O ATOM 950 OE2 GLU A 839 11.197 13.836 -1.817 1.00 13.14 O ATOM 0 H GLU A 839 12.888 14.689 -4.315 1.00 51.35 H new ATOM 0 HA GLU A 839 10.544 15.549 -5.915 1.00 4.13 H new ATOM 0 HB2 GLU A 839 9.399 13.540 -5.075 1.00 0.23 H new ATOM 0 HB3 GLU A 839 10.796 13.133 -6.052 1.00 0.23 H new ATOM 0 HG2 GLU A 839 10.898 11.707 -4.117 1.00 4.04 H new ATOM 0 HG3 GLU A 839 12.144 12.919 -3.892 1.00 4.04 H new ATOM 958 N ASP A 840 9.120 15.907 -3.748 1.00 51.43 N ATOM 959 CA ASP A 840 8.485 16.551 -2.611 1.00 55.53 C ATOM 960 C ASP A 840 9.135 17.916 -2.374 1.00 63.23 C ATOM 961 O ASP A 840 9.172 18.402 -1.245 1.00 52.32 O ATOM 962 CB ASP A 840 8.656 15.718 -1.340 1.00 4.54 C ATOM 963 CG ASP A 840 8.084 16.351 -0.070 1.00 15.12 C ATOM 964 OD1 ASP A 840 6.997 16.949 -0.088 1.00 61.41 O ATOM 965 OD2 ASP A 840 8.811 16.210 0.986 1.00 64.21 O ATOM 0 H ASP A 840 8.479 15.618 -4.487 1.00 51.43 H new ATOM 0 HA ASP A 840 7.423 16.656 -2.833 1.00 55.53 H new ATOM 0 HB2 ASP A 840 8.179 14.750 -1.492 1.00 4.54 H new ATOM 0 HB3 ASP A 840 9.719 15.530 -1.187 1.00 4.54 H new ATOM 971 N TYR A 841 9.633 18.495 -3.457 1.00 72.53 N ATOM 972 CA TYR A 841 10.280 19.793 -3.381 1.00 42.24 C ATOM 973 C TYR A 841 9.253 20.924 -3.469 1.00 61.13 C ATOM 974 O TYR A 841 9.434 21.980 -2.864 1.00 74.44 O ATOM 975 CB TYR A 841 11.212 19.871 -4.593 1.00 12.35 C ATOM 976 CG TYR A 841 10.521 19.587 -5.928 1.00 24.01 C ATOM 977 CD1 TYR A 841 9.878 20.605 -6.603 1.00 25.41 C ATOM 978 CD2 TYR A 841 10.542 18.313 -6.458 1.00 34.43 C ATOM 979 CE1 TYR A 841 9.229 20.337 -7.860 1.00 13.03 C ATOM 980 CE2 TYR A 841 9.892 18.045 -7.715 1.00 32.04 C ATOM 981 CZ TYR A 841 9.267 19.070 -8.354 1.00 4.44 C ATOM 982 OH TYR A 841 8.654 18.818 -9.541 1.00 33.44 O ATOM 0 H TYR A 841 9.601 18.088 -4.392 1.00 72.53 H new ATOM 0 HA TYR A 841 10.812 19.902 -2.436 1.00 42.24 H new ATOM 0 HB2 TYR A 841 11.659 20.864 -4.631 1.00 12.35 H new ATOM 0 HB3 TYR A 841 12.027 19.159 -4.459 1.00 12.35 H new ATOM 0 HD1 TYR A 841 9.862 21.602 -6.188 1.00 25.41 H new ATOM 0 HD2 TYR A 841 11.046 17.517 -5.930 1.00 34.43 H new ATOM 0 HE1 TYR A 841 8.723 21.124 -8.399 1.00 13.03 H new ATOM 0 HE2 TYR A 841 9.901 17.052 -8.141 1.00 32.04 H new ATOM 0 HH TYR A 841 8.462 19.664 -9.996 1.00 33.44 H new ATOM 992 N SER A 842 8.198 20.664 -4.227 1.00 50.23 N ATOM 993 CA SER A 842 7.142 21.647 -4.402 1.00 60.11 C ATOM 994 C SER A 842 5.837 20.949 -4.789 1.00 54.00 C ATOM 995 O SER A 842 5.856 19.852 -5.345 1.00 41.13 O ATOM 996 CB SER A 842 7.524 22.683 -5.461 1.00 11.22 C ATOM 997 OG SER A 842 7.557 22.122 -6.770 1.00 74.31 O ATOM 0 H SER A 842 8.052 19.787 -4.727 1.00 50.23 H new ATOM 0 HA SER A 842 7.001 22.170 -3.456 1.00 60.11 H new ATOM 0 HB2 SER A 842 6.809 23.506 -5.437 1.00 11.22 H new ATOM 0 HB3 SER A 842 8.501 23.102 -5.222 1.00 11.22 H new ATOM 0 HG SER A 842 8.114 21.315 -6.766 1.00 74.31 H new ATOM 1003 N GLU A 843 4.733 21.614 -4.479 1.00 62.23 N ATOM 1004 CA GLU A 843 3.421 21.071 -4.788 1.00 0.14 C ATOM 1005 C GLU A 843 2.485 22.184 -5.263 1.00 33.11 C ATOM 1006 O GLU A 843 2.314 23.191 -4.578 1.00 13.03 O ATOM 1007 CB GLU A 843 2.833 20.338 -3.580 1.00 41.50 C ATOM 1008 CG GLU A 843 1.572 19.565 -3.969 1.00 34.12 C ATOM 1009 CD GLU A 843 1.350 18.373 -3.035 1.00 53.22 C ATOM 1010 OE1 GLU A 843 1.343 17.220 -3.492 1.00 44.52 O ATOM 1011 OE2 GLU A 843 1.181 18.678 -1.793 1.00 73.31 O ATOM 0 H GLU A 843 4.720 22.523 -4.017 1.00 62.23 H new ATOM 0 HA GLU A 843 3.530 20.346 -5.594 1.00 0.14 H new ATOM 0 HB2 GLU A 843 3.574 19.651 -3.171 1.00 41.50 H new ATOM 0 HB3 GLU A 843 2.596 21.056 -2.794 1.00 41.50 H new ATOM 0 HG2 GLU A 843 0.708 20.228 -3.930 1.00 34.12 H new ATOM 0 HG3 GLU A 843 1.659 19.215 -4.998 1.00 34.12 H new ATOM 1019 N TYR A 844 1.903 21.965 -6.433 1.00 31.31 N ATOM 1020 CA TYR A 844 0.988 22.936 -7.008 1.00 3.53 C ATOM 1021 C TYR A 844 -0.412 22.341 -7.172 1.00 43.52 C ATOM 1022 O TYR A 844 -1.031 22.484 -8.226 1.00 23.35 O ATOM 1023 CB TYR A 844 1.550 23.278 -8.389 1.00 52.14 C ATOM 1024 CG TYR A 844 0.797 24.401 -9.107 1.00 23.53 C ATOM 1025 CD1 TYR A 844 -0.165 25.126 -8.434 1.00 4.43 C ATOM 1026 CD2 TYR A 844 1.080 24.687 -10.427 1.00 3.34 C ATOM 1027 CE1 TYR A 844 -0.873 26.183 -9.109 1.00 22.12 C ATOM 1028 CE2 TYR A 844 0.372 25.744 -11.102 1.00 21.23 C ATOM 1029 CZ TYR A 844 -0.569 26.440 -10.409 1.00 75.55 C ATOM 1030 OH TYR A 844 -1.238 27.437 -11.047 1.00 54.31 O ATOM 0 H TYR A 844 2.048 21.129 -6.999 1.00 31.31 H new ATOM 0 HA TYR A 844 0.902 23.811 -6.363 1.00 3.53 H new ATOM 0 HB2 TYR A 844 2.596 23.566 -8.283 1.00 52.14 H new ATOM 0 HB3 TYR A 844 1.527 22.383 -9.011 1.00 52.14 H new ATOM 0 HD1 TYR A 844 -0.387 24.901 -7.401 1.00 4.43 H new ATOM 0 HD2 TYR A 844 1.832 24.118 -10.954 1.00 3.34 H new ATOM 0 HE1 TYR A 844 -1.628 26.758 -8.594 1.00 22.12 H new ATOM 0 HE2 TYR A 844 0.583 25.979 -12.135 1.00 21.23 H new ATOM 0 HH TYR A 844 -0.916 27.508 -11.970 1.00 54.31 H new ATOM 1040 N LEU A 845 -0.870 21.688 -6.115 1.00 21.41 N ATOM 1041 CA LEU A 845 -2.185 21.071 -6.129 1.00 33.52 C ATOM 1042 C LEU A 845 -3.230 22.115 -6.528 1.00 64.11 C ATOM 1043 O LEU A 845 -2.990 23.315 -6.407 1.00 14.35 O ATOM 1044 CB LEU A 845 -2.474 20.394 -4.787 1.00 61.02 C ATOM 1045 CG LEU A 845 -1.847 19.013 -4.583 1.00 45.44 C ATOM 1046 CD1 LEU A 845 -2.111 18.494 -3.169 1.00 13.31 C ATOM 1047 CD2 LEU A 845 -2.325 18.030 -5.654 1.00 0.43 C ATOM 0 H LEU A 845 -0.354 21.573 -5.243 1.00 21.41 H new ATOM 0 HA LEU A 845 -2.225 20.278 -6.876 1.00 33.52 H new ATOM 0 HB2 LEU A 845 -2.126 21.050 -3.989 1.00 61.02 H new ATOM 0 HB3 LEU A 845 -3.554 20.301 -4.675 1.00 61.02 H new ATOM 0 HG LEU A 845 -0.767 19.109 -4.693 1.00 45.44 H new ATOM 0 HD11 LEU A 845 -1.655 17.511 -3.051 1.00 13.31 H new ATOM 0 HD12 LEU A 845 -1.681 19.183 -2.442 1.00 13.31 H new ATOM 0 HD13 LEU A 845 -3.186 18.417 -3.004 1.00 13.31 H new ATOM 0 HD21 LEU A 845 -1.864 17.056 -5.486 1.00 0.43 H new ATOM 0 HD22 LEU A 845 -3.409 17.933 -5.601 1.00 0.43 H new ATOM 0 HD23 LEU A 845 -2.042 18.400 -6.640 1.00 0.43 H new ATOM 1059 N PRO A 846 -4.396 21.607 -7.009 1.00 61.21 N ATOM 1060 CA PRO A 846 -5.478 22.482 -7.427 1.00 44.21 C ATOM 1061 C PRO A 846 -6.197 23.081 -6.217 1.00 33.21 C ATOM 1062 O PRO A 846 -6.063 22.581 -5.101 1.00 13.42 O ATOM 1063 CB PRO A 846 -6.381 21.610 -8.284 1.00 3.02 C ATOM 1064 CG PRO A 846 -6.026 20.174 -7.935 1.00 70.30 C ATOM 1065 CD PRO A 846 -4.714 20.191 -7.167 1.00 74.22 C ATOM 0 HA PRO A 846 -5.127 23.345 -7.993 1.00 44.21 H new ATOM 0 HB2 PRO A 846 -7.432 21.814 -8.077 1.00 3.02 H new ATOM 0 HB3 PRO A 846 -6.221 21.805 -9.344 1.00 3.02 H new ATOM 0 HG2 PRO A 846 -6.814 19.721 -7.334 1.00 70.30 H new ATOM 0 HG3 PRO A 846 -5.931 19.574 -8.840 1.00 70.30 H new ATOM 0 HD2 PRO A 846 -4.814 19.697 -6.200 1.00 74.22 H new ATOM 0 HD3 PRO A 846 -3.929 19.667 -7.712 1.00 74.22 H new ATOM 1073 N GLU A 847 -6.945 24.142 -6.479 1.00 54.41 N ATOM 1074 CA GLU A 847 -7.687 24.814 -5.425 1.00 43.34 C ATOM 1075 C GLU A 847 -8.911 23.987 -5.027 1.00 5.12 C ATOM 1076 O GLU A 847 -9.139 22.909 -5.572 1.00 75.40 O ATOM 1077 CB GLU A 847 -8.095 26.225 -5.856 1.00 23.33 C ATOM 1078 CG GLU A 847 -6.906 27.185 -5.784 1.00 41.32 C ATOM 1079 CD GLU A 847 -7.340 28.619 -6.095 1.00 12.10 C ATOM 1080 OE1 GLU A 847 -6.486 29.497 -6.290 1.00 73.24 O ATOM 1081 OE2 GLU A 847 -8.616 28.807 -6.131 1.00 61.33 O ATOM 0 H GLU A 847 -7.054 24.554 -7.406 1.00 54.41 H new ATOM 0 HA GLU A 847 -7.038 24.909 -4.554 1.00 43.34 H new ATOM 0 HB2 GLU A 847 -8.486 26.200 -6.873 1.00 23.33 H new ATOM 0 HB3 GLU A 847 -8.899 26.587 -5.215 1.00 23.33 H new ATOM 0 HG2 GLU A 847 -6.460 27.144 -4.790 1.00 41.32 H new ATOM 0 HG3 GLU A 847 -6.138 26.872 -6.491 1.00 41.32 H new ATOM 1089 N THR A 848 -9.665 24.524 -4.079 1.00 62.01 N ATOM 1090 CA THR A 848 -10.859 23.849 -3.601 1.00 75.22 C ATOM 1091 C THR A 848 -11.826 23.591 -4.759 1.00 42.51 C ATOM 1092 O THR A 848 -12.075 24.479 -5.573 1.00 54.22 O ATOM 1093 CB THR A 848 -11.466 24.697 -2.481 1.00 65.40 C ATOM 1094 OG1 THR A 848 -10.353 25.027 -1.655 1.00 5.11 O ATOM 1095 CG2 THR A 848 -12.383 23.885 -1.564 1.00 4.35 C ATOM 0 H THR A 848 -9.472 25.419 -3.629 1.00 62.01 H new ATOM 0 HA THR A 848 -10.621 22.867 -3.192 1.00 75.22 H new ATOM 0 HB THR A 848 -12.027 25.525 -2.915 1.00 65.40 H new ATOM 0 HG1 THR A 848 -10.656 25.578 -0.903 1.00 5.11 H new ATOM 0 HG21 THR A 848 -12.787 24.534 -0.787 1.00 4.35 H new ATOM 0 HG22 THR A 848 -13.202 23.464 -2.148 1.00 4.35 H new ATOM 0 HG23 THR A 848 -11.814 23.078 -1.103 1.00 4.35 H new TER 1103 THR A 848