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 Set 1.1: A 786 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 841 TYR OH : rot 30:sc= -0.636 USER MOD Single : A 783 THR OG1 : rot 14:sc= 1.03 USER MOD Single : A 788 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 791 TYR OH : rot 180:sc= 0 USER MOD Single : A 794 CYS SG : rot 180:sc= 0 USER MOD Single : A 799 SER OG : rot 180:sc= 0 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 804 LYS NZ :NH3+ -161:sc= -0.401 (180deg=-1.31!) USER MOD Single : A 810 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 813 ASN :FLIP amide:sc= -0.445 F(o=-2.1!,f=-0.44) USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 815 LYS NZ :NH3+ -112:sc= -0.288 (180deg=-0.966) USER MOD Single : A 817 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.1!) USER MOD Single : A 818 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 826 TYR OH : rot 141:sc= 0.351 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 836 TYR OH : rot 180:sc= 0 USER MOD Single : A 842 SER OG : rot 180:sc= 0 USER MOD Single : A 844 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 THR OG1 : rot 58:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 780 4.197 -3.623 -9.827 1.00 35.31 N ATOM 2 CA GLY A 780 5.117 -3.173 -8.797 1.00 31.45 C ATOM 3 C GLY A 780 4.466 -3.239 -7.413 1.00 62.33 C ATOM 4 O GLY A 780 3.537 -4.016 -7.197 1.00 3.13 O ATOM 0 HA2 GLY A 780 6.014 -3.792 -8.811 1.00 31.45 H new ATOM 0 HA3 GLY A 780 5.431 -2.151 -9.007 1.00 31.45 H new ATOM 8 N PRO A 781 4.993 -2.392 -6.489 1.00 64.21 N ATOM 9 CA PRO A 781 4.474 -2.347 -5.133 1.00 20.01 C ATOM 10 C PRO A 781 3.130 -1.618 -5.085 1.00 35.34 C ATOM 11 O PRO A 781 2.075 -2.249 -5.149 1.00 42.40 O ATOM 12 CB PRO A 781 5.555 -1.653 -4.320 1.00 62.35 C ATOM 13 CG PRO A 781 6.430 -0.924 -5.327 1.00 52.04 C ATOM 14 CD PRO A 781 6.094 -1.458 -6.710 1.00 32.50 C ATOM 0 HA PRO A 781 4.266 -3.338 -4.730 1.00 20.01 H new ATOM 0 HB2 PRO A 781 5.119 -0.956 -3.605 1.00 62.35 H new ATOM 0 HB3 PRO A 781 6.137 -2.375 -3.747 1.00 62.35 H new ATOM 0 HG2 PRO A 781 6.253 0.150 -5.279 1.00 52.04 H new ATOM 0 HG3 PRO A 781 7.485 -1.083 -5.102 1.00 52.04 H new ATOM 0 HD2 PRO A 781 5.802 -0.654 -7.385 1.00 32.50 H new ATOM 0 HD3 PRO A 781 6.952 -1.957 -7.161 1.00 32.50 H new ATOM 22 N GLY A 782 3.211 -0.301 -4.972 1.00 15.32 N ATOM 23 CA GLY A 782 2.013 0.521 -4.914 1.00 62.53 C ATOM 24 C GLY A 782 2.238 1.867 -5.606 1.00 31.22 C ATOM 25 O GLY A 782 2.703 1.914 -6.744 1.00 11.34 O ATOM 0 H GLY A 782 4.087 0.218 -4.919 1.00 15.32 H new ATOM 0 HA2 GLY A 782 1.185 -0.003 -5.391 1.00 62.53 H new ATOM 0 HA3 GLY A 782 1.730 0.685 -3.874 1.00 62.53 H new ATOM 29 N THR A 783 1.897 2.928 -4.889 1.00 62.14 N ATOM 30 CA THR A 783 2.056 4.271 -5.420 1.00 0.41 C ATOM 31 C THR A 783 2.173 5.285 -4.279 1.00 65.55 C ATOM 32 O THR A 783 1.630 5.071 -3.197 1.00 4.44 O ATOM 33 CB THR A 783 0.883 4.550 -6.361 1.00 74.44 C ATOM 34 OG1 THR A 783 1.308 4.017 -7.613 1.00 32.12 O ATOM 35 CG2 THR A 783 0.694 6.043 -6.637 1.00 22.22 C ATOM 0 H THR A 783 1.512 2.885 -3.946 1.00 62.14 H new ATOM 0 HA THR A 783 2.979 4.363 -5.992 1.00 0.41 H new ATOM 0 HB THR A 783 -0.032 4.142 -5.930 1.00 74.44 H new ATOM 0 HG1 THR A 783 2.094 3.448 -7.476 1.00 32.12 H new ATOM 0 HG21 THR A 783 -0.152 6.184 -7.310 1.00 22.22 H new ATOM 0 HG22 THR A 783 0.503 6.565 -5.699 1.00 22.22 H new ATOM 0 HG23 THR A 783 1.596 6.445 -7.098 1.00 22.22 H new ATOM 43 N PHE A 784 2.886 6.365 -4.562 1.00 1.11 N ATOM 44 CA PHE A 784 3.082 7.412 -3.573 1.00 71.13 C ATOM 45 C PHE A 784 2.614 8.766 -4.109 1.00 15.51 C ATOM 46 O PHE A 784 1.663 9.349 -3.588 1.00 45.03 O ATOM 47 CB PHE A 784 4.583 7.482 -3.287 1.00 22.40 C ATOM 48 CG PHE A 784 5.186 6.161 -2.804 1.00 4.12 C ATOM 49 CD1 PHE A 784 4.489 5.368 -1.947 1.00 72.12 C ATOM 50 CD2 PHE A 784 6.420 5.780 -3.231 1.00 3.51 C ATOM 51 CE1 PHE A 784 5.049 4.142 -1.499 1.00 15.42 C ATOM 52 CE2 PHE A 784 6.980 4.555 -2.783 1.00 0.05 C ATOM 53 CZ PHE A 784 6.282 3.762 -1.926 1.00 24.21 C ATOM 0 H PHE A 784 3.335 6.538 -5.461 1.00 1.11 H new ATOM 0 HA PHE A 784 2.507 7.188 -2.675 1.00 71.13 H new ATOM 0 HB2 PHE A 784 5.101 7.796 -4.193 1.00 22.40 H new ATOM 0 HB3 PHE A 784 4.764 8.249 -2.534 1.00 22.40 H new ATOM 0 HD1 PHE A 784 3.510 5.670 -1.607 1.00 72.12 H new ATOM 0 HD2 PHE A 784 6.974 6.410 -3.911 1.00 3.51 H new ATOM 0 HE1 PHE A 784 4.495 3.512 -0.819 1.00 15.42 H new ATOM 0 HE2 PHE A 784 7.960 4.253 -3.122 1.00 0.05 H new ATOM 0 HZ PHE A 784 6.708 2.830 -1.585 1.00 24.21 H new ATOM 63 N GLY A 785 3.302 9.228 -5.142 1.00 50.34 N ATOM 64 CA GLY A 785 2.968 10.503 -5.754 1.00 44.43 C ATOM 65 C GLY A 785 3.827 10.757 -6.995 1.00 53.42 C ATOM 66 O GLY A 785 3.643 10.109 -8.024 1.00 43.34 O ATOM 0 H GLY A 785 4.090 8.742 -5.571 1.00 50.34 H new ATOM 0 HA2 GLY A 785 1.913 10.513 -6.029 1.00 44.43 H new ATOM 0 HA3 GLY A 785 3.117 11.307 -5.033 1.00 44.43 H new ATOM 70 N THR A 786 4.745 11.702 -6.857 1.00 23.02 N ATOM 71 CA THR A 786 5.632 12.050 -7.954 1.00 25.42 C ATOM 72 C THR A 786 6.897 12.728 -7.423 1.00 32.13 C ATOM 73 O THR A 786 6.971 13.077 -6.246 1.00 33.35 O ATOM 74 CB THR A 786 4.847 12.916 -8.941 1.00 21.33 C ATOM 75 OG1 THR A 786 4.073 13.775 -8.109 1.00 0.25 O ATOM 76 CG2 THR A 786 3.804 12.114 -9.721 1.00 54.15 C ATOM 0 H THR A 786 4.894 12.238 -6.002 1.00 23.02 H new ATOM 0 HA THR A 786 5.975 11.160 -8.482 1.00 25.42 H new ATOM 0 HB THR A 786 5.538 13.389 -9.639 1.00 21.33 H new ATOM 0 HG1 THR A 786 3.534 14.373 -8.668 1.00 0.25 H new ATOM 0 HG21 THR A 786 3.275 12.775 -10.407 1.00 54.15 H new ATOM 0 HG22 THR A 786 4.300 11.325 -10.287 1.00 54.15 H new ATOM 0 HG23 THR A 786 3.093 11.669 -9.025 1.00 54.15 H new ATOM 84 N ALA A 787 7.860 12.895 -8.317 1.00 24.53 N ATOM 85 CA ALA A 787 9.118 13.525 -7.953 1.00 20.12 C ATOM 86 C ALA A 787 9.595 14.406 -9.109 1.00 64.43 C ATOM 87 O ALA A 787 9.772 13.926 -10.228 1.00 31.40 O ATOM 88 CB ALA A 787 10.139 12.449 -7.579 1.00 64.34 C ATOM 0 H ALA A 787 7.795 12.605 -9.293 1.00 24.53 H new ATOM 0 HA ALA A 787 8.988 14.167 -7.082 1.00 20.12 H new ATOM 0 HB1 ALA A 787 11.082 12.922 -7.306 1.00 64.34 H new ATOM 0 HB2 ALA A 787 9.765 11.871 -6.734 1.00 64.34 H new ATOM 0 HB3 ALA A 787 10.298 11.787 -8.430 1.00 64.34 H new ATOM 94 N LYS A 788 9.791 15.679 -8.800 1.00 30.23 N ATOM 95 CA LYS A 788 10.245 16.631 -9.799 1.00 75.02 C ATOM 96 C LYS A 788 11.705 16.340 -10.149 1.00 23.22 C ATOM 97 O LYS A 788 12.382 15.600 -9.436 1.00 42.05 O ATOM 98 CB LYS A 788 10.000 18.064 -9.324 1.00 10.55 C ATOM 99 CG LYS A 788 8.716 18.632 -9.931 1.00 54.21 C ATOM 100 CD LYS A 788 8.573 20.123 -9.617 1.00 72.21 C ATOM 101 CE LYS A 788 9.093 20.979 -10.773 1.00 63.14 C ATOM 102 NZ LYS A 788 8.774 22.406 -10.546 1.00 53.14 N ATOM 0 H LYS A 788 9.644 16.074 -7.871 1.00 30.23 H new ATOM 0 HA LYS A 788 9.669 16.522 -10.718 1.00 75.02 H new ATOM 0 HB2 LYS A 788 9.932 18.083 -8.236 1.00 10.55 H new ATOM 0 HB3 LYS A 788 10.846 18.692 -9.601 1.00 10.55 H new ATOM 0 HG2 LYS A 788 8.723 18.483 -11.011 1.00 54.21 H new ATOM 0 HG3 LYS A 788 7.854 18.090 -9.541 1.00 54.21 H new ATOM 0 HD2 LYS A 788 7.526 20.359 -9.427 1.00 72.21 H new ATOM 0 HD3 LYS A 788 9.124 20.361 -8.707 1.00 72.21 H new ATOM 0 HE2 LYS A 788 10.171 20.852 -10.871 1.00 63.14 H new ATOM 0 HE3 LYS A 788 8.647 20.645 -11.710 1.00 63.14 H new ATOM 0 HZ1 LYS A 788 9.134 22.973 -11.340 1.00 53.14 H new ATOM 0 HZ2 LYS A 788 7.743 22.524 -10.476 1.00 53.14 H new ATOM 0 HZ3 LYS A 788 9.220 22.725 -9.662 1.00 53.14 H new ATOM 115 N ALA A 789 12.148 16.937 -11.246 1.00 22.25 N ATOM 116 CA ALA A 789 13.516 16.751 -11.698 1.00 63.23 C ATOM 117 C ALA A 789 14.320 18.021 -11.414 1.00 42.33 C ATOM 118 O ALA A 789 14.023 19.083 -11.960 1.00 63.11 O ATOM 119 CB ALA A 789 13.517 16.380 -13.183 1.00 10.13 C ATOM 0 H ALA A 789 11.584 17.550 -11.835 1.00 22.25 H new ATOM 0 HA ALA A 789 13.991 15.933 -11.157 1.00 63.23 H new ATOM 0 HB1 ALA A 789 14.543 16.240 -13.522 1.00 10.13 H new ATOM 0 HB2 ALA A 789 12.958 15.455 -13.327 1.00 10.13 H new ATOM 0 HB3 ALA A 789 13.050 17.180 -13.758 1.00 10.13 H new ATOM 125 N ARG A 790 15.322 17.871 -10.561 1.00 22.22 N ATOM 126 CA ARG A 790 16.171 18.993 -10.198 1.00 30.14 C ATOM 127 C ARG A 790 17.448 18.986 -11.040 1.00 5.44 C ATOM 128 O ARG A 790 18.309 19.850 -10.876 1.00 14.25 O ATOM 129 CB ARG A 790 16.545 18.943 -8.715 1.00 43.10 C ATOM 130 CG ARG A 790 15.307 19.108 -7.831 1.00 43.52 C ATOM 131 CD ARG A 790 14.432 20.263 -8.324 1.00 22.14 C ATOM 132 NE ARG A 790 13.733 20.891 -7.181 1.00 10.24 N ATOM 133 CZ ARG A 790 12.825 21.883 -7.301 1.00 71.12 C ATOM 134 NH1 ARG A 790 12.498 22.368 -8.518 1.00 2.42 N ATOM 135 NH2 ARG A 790 12.262 22.371 -6.212 1.00 35.22 N ATOM 0 H ARG A 790 15.565 16.989 -10.110 1.00 22.22 H new ATOM 0 HA ARG A 790 15.611 19.909 -10.389 1.00 30.14 H new ATOM 0 HB2 ARG A 790 17.032 17.994 -8.491 1.00 43.10 H new ATOM 0 HB3 ARG A 790 17.264 19.731 -8.491 1.00 43.10 H new ATOM 0 HG2 ARG A 790 14.730 18.184 -7.831 1.00 43.52 H new ATOM 0 HG3 ARG A 790 15.613 19.292 -6.801 1.00 43.52 H new ATOM 0 HD2 ARG A 790 15.047 21.003 -8.836 1.00 22.14 H new ATOM 0 HD3 ARG A 790 13.705 19.896 -9.049 1.00 22.14 H new ATOM 0 HE ARG A 790 13.951 20.553 -6.244 1.00 10.24 H new ATOM 0 HH11 ARG A 790 12.938 21.985 -9.355 1.00 2.42 H new ATOM 0 HH12 ARG A 790 11.811 23.118 -8.601 1.00 2.42 H new ATOM 0 HH21 ARG A 790 12.515 21.999 -5.297 1.00 35.22 H new ATOM 0 HH22 ARG A 790 11.574 23.121 -6.286 1.00 35.22 H new ATOM 148 N TYR A 791 17.532 18.002 -11.923 1.00 0.32 N ATOM 149 CA TYR A 791 18.690 17.872 -12.791 1.00 1.03 C ATOM 150 C TYR A 791 18.316 17.184 -14.105 1.00 55.53 C ATOM 151 O TYR A 791 17.541 16.229 -14.112 1.00 15.35 O ATOM 152 CB TYR A 791 19.687 16.992 -12.034 1.00 71.45 C ATOM 153 CG TYR A 791 19.942 17.437 -10.593 1.00 43.34 C ATOM 154 CD1 TYR A 791 19.077 17.054 -9.589 1.00 30.12 C ATOM 155 CD2 TYR A 791 21.038 18.223 -10.298 1.00 31.31 C ATOM 156 CE1 TYR A 791 19.317 17.473 -8.232 1.00 44.44 C ATOM 157 CE2 TYR A 791 21.278 18.642 -8.941 1.00 43.25 C ATOM 158 CZ TYR A 791 20.406 18.247 -7.976 1.00 22.23 C ATOM 159 OH TYR A 791 20.633 18.643 -6.695 1.00 22.04 O ATOM 0 H TYR A 791 16.817 17.287 -12.056 1.00 0.32 H new ATOM 0 HA TYR A 791 19.099 18.853 -13.035 1.00 1.03 H new ATOM 0 HB2 TYR A 791 19.318 15.966 -12.027 1.00 71.45 H new ATOM 0 HB3 TYR A 791 20.634 16.986 -12.574 1.00 71.45 H new ATOM 0 HD1 TYR A 791 18.219 16.440 -9.821 1.00 30.12 H new ATOM 0 HD2 TYR A 791 21.715 18.523 -11.084 1.00 31.31 H new ATOM 0 HE1 TYR A 791 18.648 17.180 -7.436 1.00 44.44 H new ATOM 0 HE2 TYR A 791 22.132 19.256 -8.696 1.00 43.25 H new ATOM 0 HH TYR A 791 21.446 19.189 -6.661 1.00 22.04 H new ATOM 169 N ASP A 792 18.883 17.697 -15.187 1.00 3.20 N ATOM 170 CA ASP A 792 18.619 17.145 -16.505 1.00 33.45 C ATOM 171 C ASP A 792 19.461 15.883 -16.702 1.00 60.30 C ATOM 172 O ASP A 792 20.686 15.956 -16.781 1.00 23.10 O ATOM 173 CB ASP A 792 18.993 18.140 -17.605 1.00 21.25 C ATOM 174 CG ASP A 792 18.399 17.836 -18.981 1.00 71.32 C ATOM 175 OD1 ASP A 792 18.662 16.777 -19.571 1.00 4.30 O ATOM 176 OD2 ASP A 792 17.624 18.752 -19.455 1.00 44.12 O ATOM 0 H ASP A 792 19.525 18.490 -15.178 1.00 3.20 H new ATOM 0 HA ASP A 792 17.554 16.921 -16.569 1.00 33.45 H new ATOM 0 HB2 ASP A 792 18.671 19.135 -17.299 1.00 21.25 H new ATOM 0 HB3 ASP A 792 20.079 18.170 -17.693 1.00 21.25 H new ATOM 182 N PHE A 793 18.770 14.754 -16.776 1.00 44.52 N ATOM 183 CA PHE A 793 19.440 13.478 -16.963 1.00 15.20 C ATOM 184 C PHE A 793 19.157 12.910 -18.355 1.00 64.22 C ATOM 185 O PHE A 793 18.021 12.559 -18.668 1.00 14.13 O ATOM 186 CB PHE A 793 18.878 12.520 -15.911 1.00 14.45 C ATOM 187 CG PHE A 793 19.866 11.443 -15.460 1.00 35.45 C ATOM 188 CD1 PHE A 793 21.163 11.768 -15.216 1.00 43.45 C ATOM 189 CD2 PHE A 793 19.446 10.159 -15.302 1.00 33.44 C ATOM 190 CE1 PHE A 793 22.080 10.768 -14.798 1.00 1.12 C ATOM 191 CE2 PHE A 793 20.362 9.158 -14.883 1.00 5.41 C ATOM 192 CZ PHE A 793 21.660 9.484 -14.640 1.00 3.22 C ATOM 0 H PHE A 793 17.754 14.697 -16.710 1.00 44.52 H new ATOM 0 HA PHE A 793 20.518 13.605 -16.863 1.00 15.20 H new ATOM 0 HB2 PHE A 793 18.562 13.096 -15.041 1.00 14.45 H new ATOM 0 HB3 PHE A 793 17.988 12.037 -16.313 1.00 14.45 H new ATOM 0 HD1 PHE A 793 21.496 12.788 -15.340 1.00 43.45 H new ATOM 0 HD2 PHE A 793 18.415 9.901 -15.495 1.00 33.44 H new ATOM 0 HE1 PHE A 793 23.111 11.027 -14.606 1.00 1.12 H new ATOM 0 HE2 PHE A 793 20.028 8.139 -14.757 1.00 5.41 H new ATOM 0 HZ PHE A 793 22.357 8.723 -14.322 1.00 3.22 H new ATOM 202 N CYS A 794 20.212 12.836 -19.154 1.00 53.32 N ATOM 203 CA CYS A 794 20.092 12.316 -20.506 1.00 12.53 C ATOM 204 C CYS A 794 20.473 10.835 -20.486 1.00 71.11 C ATOM 205 O CYS A 794 21.652 10.493 -20.561 1.00 30.44 O ATOM 206 CB CYS A 794 20.945 13.112 -21.496 1.00 11.24 C ATOM 207 SG CYS A 794 20.220 13.007 -23.173 1.00 31.54 S ATOM 0 H CYS A 794 21.153 13.127 -18.891 1.00 53.32 H new ATOM 0 HA CYS A 794 19.063 12.421 -20.849 1.00 12.53 H new ATOM 0 HB2 CYS A 794 21.005 14.154 -21.181 1.00 11.24 H new ATOM 0 HB3 CYS A 794 21.963 12.723 -21.506 1.00 11.24 H new ATOM 0 HG CYS A 794 20.951 13.688 -24.005 1.00 31.54 H new ATOM 213 N ALA A 795 19.453 9.996 -20.385 1.00 73.55 N ATOM 214 CA ALA A 795 19.666 8.559 -20.355 1.00 61.51 C ATOM 215 C ALA A 795 20.707 8.179 -21.411 1.00 12.43 C ATOM 216 O ALA A 795 20.633 8.634 -22.551 1.00 61.44 O ATOM 217 CB ALA A 795 18.332 7.840 -20.567 1.00 22.30 C ATOM 0 H ALA A 795 18.476 10.284 -20.323 1.00 73.55 H new ATOM 0 HA ALA A 795 20.053 8.249 -19.384 1.00 61.51 H new ATOM 0 HB1 ALA A 795 18.492 6.762 -20.544 1.00 22.30 H new ATOM 0 HB2 ALA A 795 17.638 8.120 -19.775 1.00 22.30 H new ATOM 0 HB3 ALA A 795 17.915 8.125 -21.533 1.00 22.30 H new ATOM 223 N ARG A 796 21.652 7.351 -20.992 1.00 62.25 N ATOM 224 CA ARG A 796 22.707 6.905 -21.888 1.00 14.54 C ATOM 225 C ARG A 796 22.354 5.543 -22.487 1.00 32.43 C ATOM 226 O ARG A 796 22.962 5.115 -23.467 1.00 13.30 O ATOM 227 CB ARG A 796 24.045 6.801 -21.153 1.00 52.14 C ATOM 228 CG ARG A 796 23.873 6.120 -19.794 1.00 52.11 C ATOM 229 CD ARG A 796 23.611 7.151 -18.694 1.00 31.52 C ATOM 230 NE ARG A 796 24.893 7.601 -18.107 1.00 14.01 N ATOM 231 CZ ARG A 796 25.699 6.818 -17.359 1.00 0.43 C ATOM 232 NH1 ARG A 796 25.362 5.537 -17.100 1.00 1.03 N ATOM 233 NH2 ARG A 796 26.822 7.325 -16.884 1.00 72.12 N ATOM 0 H ARG A 796 21.710 6.977 -20.045 1.00 62.25 H new ATOM 0 HA ARG A 796 22.800 7.642 -22.685 1.00 14.54 H new ATOM 0 HB2 ARG A 796 24.754 6.237 -21.759 1.00 52.14 H new ATOM 0 HB3 ARG A 796 24.466 7.797 -21.014 1.00 52.14 H new ATOM 0 HG2 ARG A 796 23.045 5.413 -19.840 1.00 52.11 H new ATOM 0 HG3 ARG A 796 24.769 5.547 -19.554 1.00 52.11 H new ATOM 0 HD2 ARG A 796 23.070 8.004 -19.105 1.00 31.52 H new ATOM 0 HD3 ARG A 796 22.979 6.716 -17.919 1.00 31.52 H new ATOM 0 HE ARG A 796 25.186 8.563 -18.278 1.00 14.01 H new ATOM 0 HH11 ARG A 796 24.492 5.154 -17.470 1.00 1.03 H new ATOM 0 HH12 ARG A 796 25.977 4.952 -16.534 1.00 1.03 H new ATOM 0 HH21 ARG A 796 27.069 8.294 -17.084 1.00 72.12 H new ATOM 0 HH22 ARG A 796 27.443 6.747 -16.317 1.00 72.12 H new ATOM 246 N ASP A 797 21.373 4.898 -21.872 1.00 71.24 N ATOM 247 CA ASP A 797 20.932 3.592 -22.333 1.00 11.12 C ATOM 248 C ASP A 797 19.411 3.496 -22.200 1.00 53.43 C ATOM 249 O ASP A 797 18.772 4.402 -21.666 1.00 24.21 O ATOM 250 CB ASP A 797 21.551 2.474 -21.492 1.00 70.32 C ATOM 251 CG ASP A 797 23.072 2.542 -21.345 1.00 3.14 C ATOM 252 OD1 ASP A 797 23.813 2.504 -22.339 1.00 33.25 O ATOM 253 OD2 ASP A 797 23.498 2.640 -20.131 1.00 24.10 O ATOM 0 H ASP A 797 20.871 5.255 -21.059 1.00 71.24 H new ATOM 0 HA ASP A 797 21.244 3.478 -23.371 1.00 11.12 H new ATOM 0 HB2 ASP A 797 21.104 2.497 -20.498 1.00 70.32 H new ATOM 0 HB3 ASP A 797 21.287 1.515 -21.938 1.00 70.32 H new ATOM 259 N ARG A 798 18.874 2.391 -22.696 1.00 51.11 N ATOM 260 CA ARG A 798 17.440 2.165 -22.640 1.00 14.32 C ATOM 261 C ARG A 798 17.040 1.628 -21.264 1.00 4.31 C ATOM 262 O ARG A 798 15.875 1.311 -21.032 1.00 31.22 O ATOM 263 CB ARG A 798 16.996 1.172 -23.716 1.00 12.23 C ATOM 264 CG ARG A 798 15.562 1.458 -24.168 1.00 45.21 C ATOM 265 CD ARG A 798 15.544 2.428 -25.352 1.00 21.34 C ATOM 266 NE ARG A 798 15.585 1.674 -26.624 1.00 71.53 N ATOM 267 CZ ARG A 798 16.002 2.193 -27.799 1.00 35.22 C ATOM 268 NH1 ARG A 798 16.417 3.475 -27.872 1.00 4.00 N ATOM 269 NH2 ARG A 798 15.996 1.428 -28.875 1.00 21.14 N ATOM 0 H ARG A 798 19.407 1.642 -23.139 1.00 51.11 H new ATOM 0 HA ARG A 798 16.947 3.121 -22.818 1.00 14.32 H new ATOM 0 HB2 ARG A 798 17.669 1.232 -24.571 1.00 12.23 H new ATOM 0 HB3 ARG A 798 17.063 0.156 -23.328 1.00 12.23 H new ATOM 0 HG2 ARG A 798 15.073 0.526 -24.450 1.00 45.21 H new ATOM 0 HG3 ARG A 798 14.993 1.879 -23.339 1.00 45.21 H new ATOM 0 HD2 ARG A 798 14.646 3.045 -25.314 1.00 21.34 H new ATOM 0 HD3 ARG A 798 16.397 3.104 -25.292 1.00 21.34 H new ATOM 0 HE ARG A 798 15.279 0.701 -26.613 1.00 71.53 H new ATOM 0 HH11 ARG A 798 16.417 4.059 -27.036 1.00 4.00 H new ATOM 0 HH12 ARG A 798 16.730 3.860 -28.763 1.00 4.00 H new ATOM 0 HH21 ARG A 798 15.680 0.460 -28.811 1.00 21.14 H new ATOM 0 HH22 ARG A 798 16.308 1.805 -29.770 1.00 21.14 H new ATOM 282 N SER A 799 18.030 1.543 -20.387 1.00 42.13 N ATOM 283 CA SER A 799 17.797 1.050 -19.041 1.00 32.05 C ATOM 284 C SER A 799 17.749 2.220 -18.056 1.00 12.02 C ATOM 285 O SER A 799 17.717 2.015 -16.843 1.00 61.24 O ATOM 286 CB SER A 799 18.878 0.050 -18.625 1.00 10.50 C ATOM 287 OG SER A 799 20.164 0.659 -18.540 1.00 54.41 O ATOM 0 H SER A 799 18.995 1.808 -20.583 1.00 42.13 H new ATOM 0 HA SER A 799 16.838 0.533 -19.028 1.00 32.05 H new ATOM 0 HB2 SER A 799 18.618 -0.384 -17.660 1.00 10.50 H new ATOM 0 HB3 SER A 799 18.911 -0.768 -19.344 1.00 10.50 H new ATOM 0 HG SER A 799 20.826 -0.011 -18.270 1.00 54.41 H new ATOM 293 N GLU A 800 17.745 3.422 -18.614 1.00 31.41 N ATOM 294 CA GLU A 800 17.701 4.625 -17.800 1.00 63.41 C ATOM 295 C GLU A 800 16.468 5.459 -18.152 1.00 31.02 C ATOM 296 O GLU A 800 16.016 5.453 -19.296 1.00 13.13 O ATOM 297 CB GLU A 800 18.983 5.444 -17.964 1.00 54.32 C ATOM 298 CG GLU A 800 19.201 6.366 -16.763 1.00 4.21 C ATOM 299 CD GLU A 800 20.129 5.716 -15.734 1.00 61.15 C ATOM 300 OE1 GLU A 800 19.778 5.633 -14.548 1.00 62.00 O ATOM 301 OE2 GLU A 800 21.250 5.287 -16.206 1.00 63.52 O ATOM 0 H GLU A 800 17.772 3.588 -19.620 1.00 31.41 H new ATOM 0 HA GLU A 800 17.629 4.330 -16.753 1.00 63.41 H new ATOM 0 HB2 GLU A 800 19.836 4.774 -18.072 1.00 54.32 H new ATOM 0 HB3 GLU A 800 18.926 6.037 -18.877 1.00 54.32 H new ATOM 0 HG2 GLU A 800 19.629 7.311 -17.098 1.00 4.21 H new ATOM 0 HG3 GLU A 800 18.242 6.597 -16.299 1.00 4.21 H new ATOM 309 N LEU A 801 15.959 6.157 -17.147 1.00 73.41 N ATOM 310 CA LEU A 801 14.786 6.994 -17.336 1.00 5.21 C ATOM 311 C LEU A 801 15.224 8.368 -17.849 1.00 73.41 C ATOM 312 O LEU A 801 16.210 8.927 -17.373 1.00 2.02 O ATOM 313 CB LEU A 801 13.958 7.053 -16.051 1.00 55.12 C ATOM 314 CG LEU A 801 12.445 7.190 -16.235 1.00 33.11 C ATOM 315 CD1 LEU A 801 11.742 7.361 -14.887 1.00 30.53 C ATOM 316 CD2 LEU A 801 12.111 8.326 -17.203 1.00 55.33 C ATOM 0 H LEU A 801 16.337 6.160 -16.200 1.00 73.41 H new ATOM 0 HA LEU A 801 14.129 6.565 -18.092 1.00 5.21 H new ATOM 0 HB2 LEU A 801 14.154 6.149 -15.474 1.00 55.12 H new ATOM 0 HB3 LEU A 801 14.309 7.895 -15.454 1.00 55.12 H new ATOM 0 HG LEU A 801 12.070 6.268 -16.679 1.00 33.11 H new ATOM 0 HD11 LEU A 801 10.668 7.456 -15.046 1.00 30.53 H new ATOM 0 HD12 LEU A 801 11.940 6.491 -14.260 1.00 30.53 H new ATOM 0 HD13 LEU A 801 12.116 8.257 -14.393 1.00 30.53 H new ATOM 0 HD21 LEU A 801 11.030 8.402 -17.316 1.00 55.33 H new ATOM 0 HD22 LEU A 801 12.501 9.265 -16.811 1.00 55.33 H new ATOM 0 HD23 LEU A 801 12.564 8.122 -18.173 1.00 55.33 H new ATOM 328 N SER A 802 14.468 8.871 -18.814 1.00 2.31 N ATOM 329 CA SER A 802 14.765 10.169 -19.397 1.00 23.30 C ATOM 330 C SER A 802 14.298 11.283 -18.459 1.00 5.43 C ATOM 331 O SER A 802 13.122 11.643 -18.453 1.00 21.44 O ATOM 332 CB SER A 802 14.106 10.320 -20.769 1.00 64.55 C ATOM 333 OG SER A 802 14.997 10.881 -21.730 1.00 73.13 O ATOM 0 H SER A 802 13.651 8.404 -19.207 1.00 2.31 H new ATOM 0 HA SER A 802 15.844 10.245 -19.532 1.00 23.30 H new ATOM 0 HB2 SER A 802 13.765 9.345 -21.117 1.00 64.55 H new ATOM 0 HB3 SER A 802 13.223 10.953 -20.680 1.00 64.55 H new ATOM 0 HG SER A 802 14.540 10.960 -22.593 1.00 73.13 H new ATOM 339 N LEU A 803 15.245 11.800 -17.688 1.00 73.43 N ATOM 340 CA LEU A 803 14.945 12.866 -16.748 1.00 2.20 C ATOM 341 C LEU A 803 15.209 14.217 -17.415 1.00 40.53 C ATOM 342 O LEU A 803 16.029 14.314 -18.327 1.00 2.12 O ATOM 343 CB LEU A 803 15.718 12.663 -15.443 1.00 43.14 C ATOM 344 CG LEU A 803 14.897 12.755 -14.156 1.00 1.43 C ATOM 345 CD1 LEU A 803 14.032 11.508 -13.967 1.00 13.12 C ATOM 346 CD2 LEU A 803 15.799 13.016 -12.948 1.00 22.44 C ATOM 0 H LEU A 803 16.220 11.500 -17.696 1.00 73.43 H new ATOM 0 HA LEU A 803 13.890 12.846 -16.473 1.00 2.20 H new ATOM 0 HB2 LEU A 803 16.197 11.684 -15.476 1.00 43.14 H new ATOM 0 HB3 LEU A 803 16.514 13.406 -15.396 1.00 43.14 H new ATOM 0 HG LEU A 803 14.221 13.605 -14.242 1.00 1.43 H new ATOM 0 HD11 LEU A 803 13.459 11.599 -13.045 1.00 13.12 H new ATOM 0 HD12 LEU A 803 13.349 11.408 -14.810 1.00 13.12 H new ATOM 0 HD13 LEU A 803 14.671 10.627 -13.911 1.00 13.12 H new ATOM 0 HD21 LEU A 803 15.190 13.077 -12.046 1.00 22.44 H new ATOM 0 HD22 LEU A 803 16.517 12.202 -12.847 1.00 22.44 H new ATOM 0 HD23 LEU A 803 16.334 13.955 -13.089 1.00 22.44 H new ATOM 358 N LYS A 804 14.498 15.227 -16.935 1.00 43.32 N ATOM 359 CA LYS A 804 14.645 16.569 -17.474 1.00 23.22 C ATOM 360 C LYS A 804 14.043 17.576 -16.493 1.00 1.55 C ATOM 361 O LYS A 804 12.858 17.504 -16.172 1.00 72.00 O ATOM 362 CB LYS A 804 14.050 16.649 -18.881 1.00 11.41 C ATOM 363 CG LYS A 804 15.113 16.363 -19.943 1.00 41.33 C ATOM 364 CD LYS A 804 14.887 17.220 -21.190 1.00 55.24 C ATOM 365 CE LYS A 804 13.736 16.667 -22.034 1.00 42.10 C ATOM 366 NZ LYS A 804 13.862 15.200 -22.184 1.00 1.11 N ATOM 0 H LYS A 804 13.819 15.143 -16.179 1.00 43.32 H new ATOM 0 HA LYS A 804 15.699 16.822 -17.584 1.00 23.22 H new ATOM 0 HB2 LYS A 804 13.234 15.932 -18.976 1.00 11.41 H new ATOM 0 HB3 LYS A 804 13.625 17.639 -19.044 1.00 11.41 H new ATOM 0 HG2 LYS A 804 16.103 16.563 -19.534 1.00 41.33 H new ATOM 0 HG3 LYS A 804 15.087 15.307 -20.213 1.00 41.33 H new ATOM 0 HD2 LYS A 804 14.666 18.246 -20.895 1.00 55.24 H new ATOM 0 HD3 LYS A 804 15.799 17.249 -21.786 1.00 55.24 H new ATOM 0 HE2 LYS A 804 12.783 16.910 -21.564 1.00 42.10 H new ATOM 0 HE3 LYS A 804 13.737 17.140 -23.016 1.00 42.10 H new ATOM 0 HZ1 LYS A 804 13.292 14.884 -22.994 1.00 1.11 H new ATOM 0 HZ2 LYS A 804 14.859 14.952 -22.344 1.00 1.11 H new ATOM 0 HZ3 LYS A 804 13.524 14.732 -21.319 1.00 1.11 H new ATOM 379 N GLU A 805 14.887 18.493 -16.043 1.00 4.22 N ATOM 380 CA GLU A 805 14.453 19.514 -15.105 1.00 3.34 C ATOM 381 C GLU A 805 13.110 20.101 -15.542 1.00 72.14 C ATOM 382 O GLU A 805 12.826 20.189 -16.736 1.00 45.31 O ATOM 383 CB GLU A 805 15.510 20.612 -14.961 1.00 32.52 C ATOM 384 CG GLU A 805 16.498 20.278 -13.841 1.00 52.02 C ATOM 385 CD GLU A 805 17.881 20.860 -14.139 1.00 62.14 C ATOM 386 OE1 GLU A 805 18.469 20.556 -15.188 1.00 75.03 O ATOM 387 OE2 GLU A 805 18.344 21.656 -13.236 1.00 23.52 O ATOM 0 H GLU A 805 15.870 18.550 -16.311 1.00 4.22 H new ATOM 0 HA GLU A 805 14.323 19.049 -14.128 1.00 3.34 H new ATOM 0 HB2 GLU A 805 16.048 20.730 -15.902 1.00 32.52 H new ATOM 0 HB3 GLU A 805 15.024 21.564 -14.750 1.00 32.52 H new ATOM 0 HG2 GLU A 805 16.129 20.674 -12.895 1.00 52.02 H new ATOM 0 HG3 GLU A 805 16.571 19.197 -13.726 1.00 52.02 H new ATOM 395 N GLY A 806 12.318 20.487 -14.553 1.00 31.43 N ATOM 396 CA GLY A 806 11.011 21.062 -14.821 1.00 10.32 C ATOM 397 C GLY A 806 10.007 19.980 -15.222 1.00 32.33 C ATOM 398 O GLY A 806 8.992 20.272 -15.852 1.00 14.33 O ATOM 0 H GLY A 806 12.556 20.413 -13.564 1.00 31.43 H new ATOM 0 HA2 GLY A 806 10.652 21.586 -13.935 1.00 10.32 H new ATOM 0 HA3 GLY A 806 11.092 21.801 -15.618 1.00 10.32 H new ATOM 402 N ASP A 807 10.325 18.752 -14.840 1.00 22.41 N ATOM 403 CA ASP A 807 9.464 17.624 -15.152 1.00 35.13 C ATOM 404 C ASP A 807 9.188 16.830 -13.873 1.00 75.24 C ATOM 405 O ASP A 807 9.896 16.980 -12.880 1.00 4.55 O ATOM 406 CB ASP A 807 10.130 16.683 -16.158 1.00 14.51 C ATOM 407 CG ASP A 807 10.513 17.329 -17.491 1.00 2.31 C ATOM 408 OD1 ASP A 807 10.115 18.466 -17.788 1.00 24.42 O ATOM 409 OD2 ASP A 807 11.263 16.606 -18.251 1.00 45.02 O ATOM 0 H ASP A 807 11.168 18.513 -14.317 1.00 22.41 H new ATOM 0 HA ASP A 807 8.540 18.014 -15.580 1.00 35.13 H new ATOM 0 HB2 ASP A 807 11.028 16.265 -15.703 1.00 14.51 H new ATOM 0 HB3 ASP A 807 9.455 15.850 -16.356 1.00 14.51 H new ATOM 415 N ILE A 808 8.156 16.001 -13.941 1.00 12.44 N ATOM 416 CA ILE A 808 7.777 15.183 -12.801 1.00 3.31 C ATOM 417 C ILE A 808 8.089 13.717 -13.105 1.00 65.23 C ATOM 418 O ILE A 808 8.099 13.308 -14.265 1.00 55.24 O ATOM 419 CB ILE A 808 6.317 15.435 -12.422 1.00 14.41 C ATOM 420 CG1 ILE A 808 5.491 15.825 -13.650 1.00 31.22 C ATOM 421 CG2 ILE A 808 6.212 16.477 -11.306 1.00 55.45 C ATOM 422 CD1 ILE A 808 5.776 17.269 -14.066 1.00 54.33 C ATOM 0 H ILE A 808 7.571 15.878 -14.767 1.00 12.44 H new ATOM 0 HA ILE A 808 8.362 15.459 -11.923 1.00 3.31 H new ATOM 0 HB ILE A 808 5.899 14.506 -12.035 1.00 14.41 H new ATOM 0 HG12 ILE A 808 5.721 15.152 -14.476 1.00 31.22 H new ATOM 0 HG13 ILE A 808 4.430 15.709 -13.431 1.00 31.22 H new ATOM 0 HG21 ILE A 808 5.163 16.638 -11.056 1.00 55.45 H new ATOM 0 HG22 ILE A 808 6.745 16.121 -10.424 1.00 55.45 H new ATOM 0 HG23 ILE A 808 6.653 17.416 -11.642 1.00 55.45 H new ATOM 0 HD11 ILE A 808 5.176 17.521 -14.941 1.00 54.33 H new ATOM 0 HD12 ILE A 808 5.522 17.941 -13.246 1.00 54.33 H new ATOM 0 HD13 ILE A 808 6.833 17.376 -14.308 1.00 54.33 H new ATOM 434 N ILE A 809 8.338 12.965 -12.043 1.00 13.01 N ATOM 435 CA ILE A 809 8.649 11.553 -12.182 1.00 25.42 C ATOM 436 C ILE A 809 7.662 10.733 -11.349 1.00 24.52 C ATOM 437 O ILE A 809 7.624 10.857 -10.126 1.00 20.44 O ATOM 438 CB ILE A 809 10.116 11.291 -11.832 1.00 33.41 C ATOM 439 CG1 ILE A 809 11.023 11.557 -13.035 1.00 74.43 C ATOM 440 CG2 ILE A 809 10.302 9.878 -11.275 1.00 4.04 C ATOM 441 CD1 ILE A 809 11.523 13.003 -13.036 1.00 34.41 C ATOM 0 H ILE A 809 8.331 13.307 -11.082 1.00 13.01 H new ATOM 0 HA ILE A 809 8.531 11.237 -13.218 1.00 25.42 H new ATOM 0 HB ILE A 809 10.410 11.988 -11.047 1.00 33.41 H new ATOM 0 HG12 ILE A 809 11.873 10.875 -13.012 1.00 74.43 H new ATOM 0 HG13 ILE A 809 10.478 11.356 -13.957 1.00 74.43 H new ATOM 0 HG21 ILE A 809 11.353 9.717 -11.034 1.00 4.04 H new ATOM 0 HG22 ILE A 809 9.701 9.760 -10.373 1.00 4.04 H new ATOM 0 HG23 ILE A 809 9.985 9.148 -12.020 1.00 4.04 H new ATOM 0 HD11 ILE A 809 12.165 13.165 -13.901 1.00 34.41 H new ATOM 0 HD12 ILE A 809 10.672 13.682 -13.083 1.00 34.41 H new ATOM 0 HD13 ILE A 809 12.088 13.193 -12.124 1.00 34.41 H new ATOM 453 N LYS A 810 6.888 9.913 -12.045 1.00 24.34 N ATOM 454 CA LYS A 810 5.904 9.072 -11.384 1.00 51.43 C ATOM 455 C LYS A 810 6.614 7.898 -10.708 1.00 33.03 C ATOM 456 O LYS A 810 7.217 7.062 -11.379 1.00 54.22 O ATOM 457 CB LYS A 810 4.815 8.647 -12.371 1.00 33.20 C ATOM 458 CG LYS A 810 3.982 7.495 -11.805 1.00 60.41 C ATOM 459 CD LYS A 810 3.554 7.783 -10.365 1.00 12.31 C ATOM 460 CE LYS A 810 2.181 7.177 -10.069 1.00 73.22 C ATOM 461 NZ LYS A 810 1.104 8.104 -10.485 1.00 23.33 N ATOM 0 H LYS A 810 6.922 9.813 -13.060 1.00 24.34 H new ATOM 0 HA LYS A 810 5.392 9.629 -10.599 1.00 51.43 H new ATOM 0 HB2 LYS A 810 4.167 9.495 -12.591 1.00 33.20 H new ATOM 0 HB3 LYS A 810 5.271 8.342 -13.313 1.00 33.20 H new ATOM 0 HG2 LYS A 810 3.100 7.340 -12.426 1.00 60.41 H new ATOM 0 HG3 LYS A 810 4.561 6.572 -11.838 1.00 60.41 H new ATOM 0 HD2 LYS A 810 4.292 7.375 -9.674 1.00 12.31 H new ATOM 0 HD3 LYS A 810 3.523 8.860 -10.200 1.00 12.31 H new ATOM 0 HE2 LYS A 810 2.075 6.228 -10.594 1.00 73.22 H new ATOM 0 HE3 LYS A 810 2.093 6.963 -9.004 1.00 73.22 H new ATOM 0 HZ1 LYS A 810 0.179 7.677 -10.277 1.00 23.33 H new ATOM 0 HZ2 LYS A 810 1.197 9.000 -9.965 1.00 23.33 H new ATOM 0 HZ3 LYS A 810 1.179 8.287 -11.506 1.00 23.33 H new ATOM 474 N ILE A 811 6.519 7.872 -9.386 1.00 55.25 N ATOM 475 CA ILE A 811 7.144 6.814 -8.612 1.00 0.14 C ATOM 476 C ILE A 811 6.330 5.527 -8.764 1.00 5.32 C ATOM 477 O ILE A 811 5.174 5.467 -8.350 1.00 11.34 O ATOM 478 CB ILE A 811 7.333 7.254 -7.158 1.00 52.14 C ATOM 479 CG1 ILE A 811 7.981 8.638 -7.084 1.00 51.24 C ATOM 480 CG2 ILE A 811 8.121 6.209 -6.367 1.00 65.21 C ATOM 481 CD1 ILE A 811 9.507 8.530 -7.092 1.00 1.02 C ATOM 0 H ILE A 811 6.018 8.567 -8.832 1.00 55.25 H new ATOM 0 HA ILE A 811 8.145 6.605 -8.991 1.00 0.14 H new ATOM 0 HB ILE A 811 6.350 7.334 -6.695 1.00 52.14 H new ATOM 0 HG12 ILE A 811 7.651 9.243 -7.928 1.00 51.24 H new ATOM 0 HG13 ILE A 811 7.654 9.149 -6.178 1.00 51.24 H new ATOM 0 HG21 ILE A 811 8.241 6.546 -5.338 1.00 65.21 H new ATOM 0 HG22 ILE A 811 7.582 5.262 -6.378 1.00 65.21 H new ATOM 0 HG23 ILE A 811 9.103 6.073 -6.821 1.00 65.21 H new ATOM 0 HD11 ILE A 811 9.943 9.528 -7.039 1.00 1.02 H new ATOM 0 HD12 ILE A 811 9.835 7.944 -6.233 1.00 1.02 H new ATOM 0 HD13 ILE A 811 9.832 8.041 -8.010 1.00 1.02 H new ATOM 493 N LEU A 812 6.967 4.529 -9.359 1.00 41.51 N ATOM 494 CA LEU A 812 6.317 3.247 -9.571 1.00 50.41 C ATOM 495 C LEU A 812 6.914 2.213 -8.614 1.00 54.51 C ATOM 496 O LEU A 812 6.181 1.506 -7.923 1.00 44.45 O ATOM 497 CB LEU A 812 6.400 2.842 -11.044 1.00 74.21 C ATOM 498 CG LEU A 812 6.216 3.970 -12.062 1.00 34.43 C ATOM 499 CD1 LEU A 812 7.036 3.707 -13.326 1.00 24.23 C ATOM 500 CD2 LEU A 812 4.734 4.189 -12.375 1.00 62.44 C ATOM 0 H LEU A 812 7.927 4.582 -9.701 1.00 41.51 H new ATOM 0 HA LEU A 812 5.253 3.316 -9.343 1.00 50.41 H new ATOM 0 HB2 LEU A 812 7.370 2.377 -11.218 1.00 74.21 H new ATOM 0 HB3 LEU A 812 5.643 2.081 -11.234 1.00 74.21 H new ATOM 0 HG LEU A 812 6.592 4.893 -11.621 1.00 34.43 H new ATOM 0 HD11 LEU A 812 6.887 4.523 -14.033 1.00 24.23 H new ATOM 0 HD12 LEU A 812 8.093 3.639 -13.067 1.00 24.23 H new ATOM 0 HD13 LEU A 812 6.713 2.770 -13.781 1.00 24.23 H new ATOM 0 HD21 LEU A 812 4.631 4.996 -13.101 1.00 62.44 H new ATOM 0 HD22 LEU A 812 4.310 3.273 -12.787 1.00 62.44 H new ATOM 0 HD23 LEU A 812 4.204 4.454 -11.460 1.00 62.44 H new ATOM 512 N ASN A 813 8.237 2.158 -8.604 1.00 43.20 N ATOM 513 CA ASN A 813 8.941 1.222 -7.743 1.00 53.51 C ATOM 514 C ASN A 813 9.998 1.976 -6.934 1.00 50.40 C ATOM 515 O ASN A 813 10.709 2.824 -7.472 1.00 53.00 O ATOM 516 CB ASN A 813 9.653 0.146 -8.565 1.00 51.40 C ATOM 517 CG ASN A 813 9.658 -1.194 -7.827 1.00 1.33 C ATOM 518 OD1 ASN A 813 10.245 -1.152 -6.634 1.00 62.12 O flip ATOM 519 ND2 ASN A 813 9.162 -2.199 -8.308 1.00 12.21 N flip ATOM 0 H ASN A 813 8.841 2.746 -9.178 1.00 43.20 H new ATOM 0 HA ASN A 813 8.209 0.750 -7.088 1.00 53.51 H new ATOM 0 HB2 ASN A 813 9.157 0.032 -9.529 1.00 51.40 H new ATOM 0 HB3 ASN A 813 10.678 0.457 -8.768 1.00 51.40 H new ATOM 0 HD21 ASN A 813 8.727 -2.162 -9.230 1.00 12.21 H new ATOM 0 HD22 ASN A 813 9.182 -3.077 -7.789 1.00 12.21 H new ATOM 526 N LYS A 814 10.068 1.640 -5.654 1.00 45.44 N ATOM 527 CA LYS A 814 11.027 2.275 -4.766 1.00 1.13 C ATOM 528 C LYS A 814 12.026 1.228 -4.269 1.00 45.34 C ATOM 529 O LYS A 814 11.877 0.693 -3.172 1.00 74.02 O ATOM 530 CB LYS A 814 10.304 3.018 -3.640 1.00 61.51 C ATOM 531 CG LYS A 814 11.304 3.624 -2.653 1.00 54.42 C ATOM 532 CD LYS A 814 10.791 4.957 -2.103 1.00 72.22 C ATOM 533 CE LYS A 814 9.618 4.739 -1.145 1.00 2.52 C ATOM 534 NZ LYS A 814 10.110 4.520 0.234 1.00 54.20 N ATOM 0 H LYS A 814 9.477 0.937 -5.211 1.00 45.44 H new ATOM 0 HA LYS A 814 11.599 3.033 -5.302 1.00 1.13 H new ATOM 0 HB2 LYS A 814 9.680 3.806 -4.061 1.00 61.51 H new ATOM 0 HB3 LYS A 814 9.639 2.332 -3.115 1.00 61.51 H new ATOM 0 HG2 LYS A 814 11.476 2.929 -1.831 1.00 54.42 H new ATOM 0 HG3 LYS A 814 12.263 3.776 -3.148 1.00 54.42 H new ATOM 0 HD2 LYS A 814 11.598 5.475 -1.584 1.00 72.22 H new ATOM 0 HD3 LYS A 814 10.478 5.598 -2.927 1.00 72.22 H new ATOM 0 HE2 LYS A 814 8.956 5.605 -1.168 1.00 2.52 H new ATOM 0 HE3 LYS A 814 9.031 3.880 -1.469 1.00 2.52 H new ATOM 0 HZ1 LYS A 814 9.302 4.374 0.872 1.00 54.20 H new ATOM 0 HZ2 LYS A 814 10.724 3.681 0.254 1.00 54.20 H new ATOM 0 HZ3 LYS A 814 10.651 5.352 0.546 1.00 54.20 H new ATOM 547 N LYS A 815 13.024 0.968 -5.101 1.00 61.14 N ATOM 548 CA LYS A 815 14.048 -0.005 -4.761 1.00 20.21 C ATOM 549 C LYS A 815 14.910 0.545 -3.623 1.00 44.22 C ATOM 550 O LYS A 815 15.815 1.345 -3.856 1.00 50.45 O ATOM 551 CB LYS A 815 14.848 -0.398 -6.004 1.00 62.43 C ATOM 552 CG LYS A 815 13.994 -1.227 -6.966 1.00 64.13 C ATOM 553 CD LYS A 815 13.444 -2.476 -6.274 1.00 64.04 C ATOM 554 CE LYS A 815 12.992 -3.517 -7.300 1.00 40.14 C ATOM 555 NZ LYS A 815 14.134 -3.951 -8.136 1.00 73.20 N ATOM 0 H LYS A 815 13.145 1.415 -6.010 1.00 61.14 H new ATOM 0 HA LYS A 815 13.592 -0.927 -4.399 1.00 20.21 H new ATOM 0 HB2 LYS A 815 15.205 0.499 -6.510 1.00 62.43 H new ATOM 0 HB3 LYS A 815 15.728 -0.969 -5.709 1.00 62.43 H new ATOM 0 HG2 LYS A 815 13.169 -0.621 -7.340 1.00 64.13 H new ATOM 0 HG3 LYS A 815 14.592 -1.519 -7.829 1.00 64.13 H new ATOM 0 HD2 LYS A 815 14.210 -2.905 -5.628 1.00 64.04 H new ATOM 0 HD3 LYS A 815 12.605 -2.202 -5.635 1.00 64.04 H new ATOM 0 HE2 LYS A 815 12.561 -4.377 -6.788 1.00 40.14 H new ATOM 0 HE3 LYS A 815 12.210 -3.097 -7.932 1.00 40.14 H new ATOM 0 HZ1 LYS A 815 13.998 -3.615 -9.111 1.00 73.20 H new ATOM 0 HZ2 LYS A 815 15.015 -3.554 -7.753 1.00 73.20 H new ATOM 0 HZ3 LYS A 815 14.192 -4.989 -8.132 1.00 73.20 H new ATOM 568 N GLY A 816 14.600 0.094 -2.417 1.00 12.53 N ATOM 569 CA GLY A 816 15.335 0.532 -1.242 1.00 61.12 C ATOM 570 C GLY A 816 15.316 2.057 -1.120 1.00 22.11 C ATOM 571 O GLY A 816 14.789 2.747 -1.991 1.00 64.45 O ATOM 0 H GLY A 816 13.850 -0.570 -2.228 1.00 12.53 H new ATOM 0 HA2 GLY A 816 14.898 0.087 -0.348 1.00 61.12 H new ATOM 0 HA3 GLY A 816 16.365 0.181 -1.302 1.00 61.12 H new ATOM 575 N GLN A 817 15.897 2.539 -0.031 1.00 65.51 N ATOM 576 CA GLN A 817 15.954 3.969 0.217 1.00 41.25 C ATOM 577 C GLN A 817 17.236 4.560 -0.374 1.00 71.22 C ATOM 578 O GLN A 817 17.296 5.753 -0.668 1.00 72.34 O ATOM 579 CB GLN A 817 15.850 4.271 1.713 1.00 41.23 C ATOM 580 CG GLN A 817 17.167 3.960 2.428 1.00 55.33 C ATOM 581 CD GLN A 817 16.930 3.675 3.912 1.00 20.22 C ATOM 582 OE1 GLN A 817 15.811 3.508 4.368 1.00 13.42 O ATOM 583 NE2 GLN A 817 18.043 3.627 4.638 1.00 5.51 N ATOM 0 H GLN A 817 16.333 1.964 0.690 1.00 65.51 H new ATOM 0 HA GLN A 817 15.101 4.437 -0.275 1.00 41.25 H new ATOM 0 HB2 GLN A 817 15.592 5.320 1.859 1.00 41.23 H new ATOM 0 HB3 GLN A 817 15.046 3.681 2.152 1.00 41.23 H new ATOM 0 HG2 GLN A 817 17.645 3.099 1.960 1.00 55.33 H new ATOM 0 HG3 GLN A 817 17.851 4.802 2.320 1.00 55.33 H new ATOM 0 HE21 GLN A 817 18.949 3.776 4.193 1.00 5.51 H new ATOM 0 HE22 GLN A 817 17.991 3.441 5.640 1.00 5.51 H new ATOM 592 N GLN A 818 18.230 3.698 -0.530 1.00 73.41 N ATOM 593 CA GLN A 818 19.507 4.119 -1.080 1.00 52.14 C ATOM 594 C GLN A 818 19.781 3.395 -2.400 1.00 24.42 C ATOM 595 O GLN A 818 20.197 2.237 -2.401 1.00 72.24 O ATOM 596 CB GLN A 818 20.640 3.884 -0.080 1.00 33.45 C ATOM 597 CG GLN A 818 22.006 4.062 -0.745 1.00 54.14 C ATOM 598 CD GLN A 818 23.136 3.678 0.211 1.00 3.23 C ATOM 599 OE1 GLN A 818 23.057 3.865 1.414 1.00 13.33 O ATOM 600 NE2 GLN A 818 24.190 3.132 -0.388 1.00 44.24 N ATOM 0 H GLN A 818 18.177 2.709 -0.285 1.00 73.41 H new ATOM 0 HA GLN A 818 19.459 5.190 -1.278 1.00 52.14 H new ATOM 0 HB2 GLN A 818 20.544 4.580 0.753 1.00 33.45 H new ATOM 0 HB3 GLN A 818 20.562 2.879 0.334 1.00 33.45 H new ATOM 0 HG2 GLN A 818 22.060 3.447 -1.643 1.00 54.14 H new ATOM 0 HG3 GLN A 818 22.128 5.098 -1.061 1.00 54.14 H new ATOM 0 HE21 GLN A 818 24.192 3.004 -1.400 1.00 44.24 H new ATOM 0 HE22 GLN A 818 24.997 2.842 0.164 1.00 44.24 H new ATOM 609 N GLY A 819 19.538 4.106 -3.491 1.00 1.24 N ATOM 610 CA GLY A 819 19.754 3.545 -4.814 1.00 10.45 C ATOM 611 C GLY A 819 19.076 4.398 -5.888 1.00 33.12 C ATOM 612 O GLY A 819 19.494 5.525 -6.147 1.00 2.24 O ATOM 0 H GLY A 819 19.193 5.066 -3.486 1.00 1.24 H new ATOM 0 HA2 GLY A 819 20.823 3.482 -5.016 1.00 10.45 H new ATOM 0 HA3 GLY A 819 19.362 2.529 -4.850 1.00 10.45 H new ATOM 616 N TRP A 820 18.040 3.827 -6.484 1.00 73.25 N ATOM 617 CA TRP A 820 17.299 4.520 -7.525 1.00 5.31 C ATOM 618 C TRP A 820 15.817 4.179 -7.358 1.00 64.34 C ATOM 619 O TRP A 820 15.461 3.323 -6.550 1.00 70.43 O ATOM 620 CB TRP A 820 17.842 4.168 -8.911 1.00 40.13 C ATOM 621 CG TRP A 820 17.780 2.676 -9.243 1.00 65.20 C ATOM 622 CD1 TRP A 820 17.225 1.693 -8.522 1.00 33.51 C ATOM 623 CD2 TRP A 820 18.319 2.033 -10.418 1.00 4.14 C ATOM 624 NE1 TRP A 820 17.366 0.468 -9.143 1.00 15.11 N ATOM 625 CE2 TRP A 820 18.052 0.682 -10.332 1.00 62.04 C ATOM 626 CE3 TRP A 820 19.010 2.576 -11.516 1.00 33.33 C ATOM 627 CZ2 TRP A 820 18.439 -0.239 -11.313 1.00 24.31 C ATOM 628 CZ3 TRP A 820 19.390 1.642 -12.487 1.00 72.30 C ATOM 629 CH2 TRP A 820 19.129 0.278 -12.416 1.00 55.40 C ATOM 0 H TRP A 820 17.696 2.892 -6.266 1.00 73.25 H new ATOM 0 HA TRP A 820 17.420 5.599 -7.431 1.00 5.31 H new ATOM 0 HB2 TRP A 820 17.278 4.721 -9.662 1.00 40.13 H new ATOM 0 HB3 TRP A 820 18.877 4.502 -8.980 1.00 40.13 H new ATOM 0 HD1 TRP A 820 16.729 1.840 -7.574 1.00 33.51 H new ATOM 0 HE1 TRP A 820 17.029 -0.429 -8.793 1.00 15.11 H new ATOM 0 HE3 TRP A 820 19.230 3.630 -11.603 1.00 33.33 H new ATOM 0 HZ2 TRP A 820 18.217 -1.292 -11.224 1.00 24.31 H new ATOM 0 HZ3 TRP A 820 19.924 2.007 -13.352 1.00 72.30 H new ATOM 0 HH2 TRP A 820 19.457 -0.379 -13.208 1.00 55.40 H new ATOM 640 N TRP A 821 14.994 4.866 -8.136 1.00 73.21 N ATOM 641 CA TRP A 821 13.558 4.646 -8.085 1.00 22.11 C ATOM 642 C TRP A 821 13.069 4.381 -9.510 1.00 64.13 C ATOM 643 O TRP A 821 13.476 5.066 -10.447 1.00 51.33 O ATOM 644 CB TRP A 821 12.846 5.825 -7.418 1.00 65.34 C ATOM 645 CG TRP A 821 13.121 5.950 -5.918 1.00 75.33 C ATOM 646 CD1 TRP A 821 13.524 4.993 -5.071 1.00 2.31 C ATOM 647 CD2 TRP A 821 12.994 7.144 -5.118 1.00 32.24 C ATOM 648 NE1 TRP A 821 13.666 5.481 -3.788 1.00 3.52 N ATOM 649 CE2 TRP A 821 13.334 6.831 -3.817 1.00 74.23 C ATOM 650 CE3 TRP A 821 12.605 8.445 -5.480 1.00 42.43 C ATOM 651 CZ2 TRP A 821 13.319 7.765 -2.775 1.00 12.31 C ATOM 652 CZ3 TRP A 821 12.595 9.368 -4.427 1.00 65.30 C ATOM 653 CH2 TRP A 821 12.935 9.068 -3.113 1.00 14.43 C ATOM 0 H TRP A 821 15.294 5.575 -8.805 1.00 73.21 H new ATOM 0 HA TRP A 821 13.323 3.778 -7.469 1.00 22.11 H new ATOM 0 HB2 TRP A 821 13.152 6.747 -7.911 1.00 65.34 H new ATOM 0 HB3 TRP A 821 11.772 5.722 -7.573 1.00 65.34 H new ATOM 0 HD1 TRP A 821 13.714 3.969 -5.356 1.00 2.31 H new ATOM 0 HE1 TRP A 821 13.960 4.949 -2.969 1.00 3.52 H new ATOM 0 HE3 TRP A 821 12.335 8.712 -6.491 1.00 42.43 H new ATOM 0 HZ2 TRP A 821 13.589 7.495 -1.765 1.00 12.31 H new ATOM 0 HZ3 TRP A 821 12.303 10.383 -4.651 1.00 65.30 H new ATOM 0 HH2 TRP A 821 12.903 9.837 -2.356 1.00 14.43 H new ATOM 664 N ARG A 822 12.204 3.385 -9.629 1.00 60.33 N ATOM 665 CA ARG A 822 11.655 3.021 -10.925 1.00 25.43 C ATOM 666 C ARG A 822 10.399 3.843 -11.219 1.00 62.22 C ATOM 667 O ARG A 822 9.327 3.556 -10.689 1.00 10.11 O ATOM 668 CB ARG A 822 11.306 1.532 -10.976 1.00 61.00 C ATOM 669 CG ARG A 822 11.384 1.000 -12.408 1.00 72.34 C ATOM 670 CD ARG A 822 10.034 1.131 -13.116 1.00 53.32 C ATOM 671 NE ARG A 822 9.009 0.337 -12.403 1.00 13.34 N ATOM 672 CZ ARG A 822 8.759 -0.967 -12.644 1.00 33.35 C ATOM 673 NH1 ARG A 822 9.459 -1.637 -13.584 1.00 12.13 N ATOM 674 NH2 ARG A 822 7.819 -1.578 -11.946 1.00 62.41 N ATOM 0 H ARG A 822 11.869 2.818 -8.850 1.00 60.33 H new ATOM 0 HA ARG A 822 12.415 3.231 -11.678 1.00 25.43 H new ATOM 0 HB2 ARG A 822 11.990 0.972 -10.338 1.00 61.00 H new ATOM 0 HB3 ARG A 822 10.302 1.376 -10.580 1.00 61.00 H new ATOM 0 HG2 ARG A 822 12.144 1.549 -12.963 1.00 72.34 H new ATOM 0 HG3 ARG A 822 11.692 -0.046 -12.395 1.00 72.34 H new ATOM 0 HD2 ARG A 822 9.734 2.178 -13.153 1.00 53.32 H new ATOM 0 HD3 ARG A 822 10.120 0.787 -14.147 1.00 53.32 H new ATOM 0 HE ARG A 822 8.457 0.805 -11.684 1.00 13.34 H new ATOM 0 HH11 ARG A 822 10.183 -1.158 -14.119 1.00 12.13 H new ATOM 0 HH12 ARG A 822 9.263 -2.623 -13.760 1.00 12.13 H new ATOM 0 HH21 ARG A 822 7.295 -1.065 -11.238 1.00 62.41 H new ATOM 0 HH22 ARG A 822 7.617 -2.563 -12.115 1.00 62.41 H new ATOM 687 N GLY A 823 10.573 4.849 -12.064 1.00 24.51 N ATOM 688 CA GLY A 823 9.467 5.714 -12.435 1.00 40.22 C ATOM 689 C GLY A 823 9.249 5.706 -13.950 1.00 33.14 C ATOM 690 O GLY A 823 9.657 4.769 -14.634 1.00 44.21 O ATOM 0 H GLY A 823 11.464 5.084 -12.502 1.00 24.51 H new ATOM 0 HA2 GLY A 823 8.558 5.385 -11.931 1.00 40.22 H new ATOM 0 HA3 GLY A 823 9.667 6.731 -12.098 1.00 40.22 H new ATOM 694 N GLU A 824 8.605 6.760 -14.428 1.00 51.33 N ATOM 695 CA GLU A 824 8.327 6.886 -15.849 1.00 44.20 C ATOM 696 C GLU A 824 7.906 8.319 -16.183 1.00 23.24 C ATOM 697 O GLU A 824 7.315 9.006 -15.351 1.00 25.43 O ATOM 698 CB GLU A 824 7.259 5.884 -16.290 1.00 32.01 C ATOM 699 CG GLU A 824 6.593 6.330 -17.594 1.00 24.25 C ATOM 700 CD GLU A 824 5.468 7.330 -17.321 1.00 31.44 C ATOM 701 OE1 GLU A 824 4.407 6.944 -16.808 1.00 31.15 O ATOM 702 OE2 GLU A 824 5.726 8.547 -17.661 1.00 13.05 O ATOM 0 H GLU A 824 8.268 7.535 -13.857 1.00 51.33 H new ATOM 0 HA GLU A 824 9.240 6.659 -16.399 1.00 44.20 H new ATOM 0 HB2 GLU A 824 7.711 4.902 -16.426 1.00 32.01 H new ATOM 0 HB3 GLU A 824 6.506 5.783 -15.509 1.00 32.01 H new ATOM 0 HG2 GLU A 824 7.336 6.784 -18.250 1.00 24.25 H new ATOM 0 HG3 GLU A 824 6.193 5.462 -18.118 1.00 24.25 H new ATOM 710 N ILE A 825 8.227 8.727 -17.402 1.00 10.35 N ATOM 711 CA ILE A 825 7.889 10.066 -17.855 1.00 64.34 C ATOM 712 C ILE A 825 7.403 10.001 -19.304 1.00 72.45 C ATOM 713 O ILE A 825 8.079 9.440 -20.166 1.00 2.15 O ATOM 714 CB ILE A 825 9.070 11.016 -17.645 1.00 15.40 C ATOM 715 CG1 ILE A 825 9.082 11.567 -16.218 1.00 1.34 C ATOM 716 CG2 ILE A 825 9.067 12.133 -18.691 1.00 12.44 C ATOM 717 CD1 ILE A 825 10.041 12.753 -16.096 1.00 44.00 C ATOM 0 H ILE A 825 8.717 8.155 -18.089 1.00 10.35 H new ATOM 0 HA ILE A 825 7.071 10.474 -17.261 1.00 64.34 H new ATOM 0 HB ILE A 825 9.992 10.451 -17.780 1.00 15.40 H new ATOM 0 HG12 ILE A 825 8.076 11.878 -15.936 1.00 1.34 H new ATOM 0 HG13 ILE A 825 9.379 10.781 -15.524 1.00 1.34 H new ATOM 0 HG21 ILE A 825 9.916 12.794 -18.520 1.00 12.44 H new ATOM 0 HG22 ILE A 825 9.141 11.698 -19.688 1.00 12.44 H new ATOM 0 HG23 ILE A 825 8.141 12.703 -18.612 1.00 12.44 H new ATOM 0 HD11 ILE A 825 10.030 13.126 -15.072 1.00 44.00 H new ATOM 0 HD12 ILE A 825 11.050 12.433 -16.355 1.00 44.00 H new ATOM 0 HD13 ILE A 825 9.727 13.546 -16.774 1.00 44.00 H new ATOM 729 N TYR A 826 6.234 10.582 -19.529 1.00 74.32 N ATOM 730 CA TYR A 826 5.649 10.597 -20.859 1.00 74.32 C ATOM 731 C TYR A 826 5.382 9.175 -21.357 1.00 60.31 C ATOM 732 O TYR A 826 5.183 8.959 -22.552 1.00 20.55 O ATOM 733 CB TYR A 826 6.687 11.257 -21.769 1.00 33.40 C ATOM 734 CG TYR A 826 7.291 12.539 -21.195 1.00 5.31 C ATOM 735 CD1 TYR A 826 6.575 13.294 -20.288 1.00 43.42 C ATOM 736 CD2 TYR A 826 8.553 12.942 -21.584 1.00 21.43 C ATOM 737 CE1 TYR A 826 7.144 14.502 -19.748 1.00 24.31 C ATOM 738 CE2 TYR A 826 9.122 14.149 -21.043 1.00 62.03 C ATOM 739 CZ TYR A 826 8.390 14.869 -20.152 1.00 52.41 C ATOM 740 OH TYR A 826 8.927 16.010 -19.642 1.00 24.32 O ATOM 0 H TYR A 826 5.676 11.046 -18.812 1.00 74.32 H new ATOM 0 HA TYR A 826 4.698 11.130 -20.854 1.00 74.32 H new ATOM 0 HB2 TYR A 826 7.489 10.545 -21.964 1.00 33.40 H new ATOM 0 HB3 TYR A 826 6.222 11.484 -22.728 1.00 33.40 H new ATOM 0 HD1 TYR A 826 5.588 12.979 -19.983 1.00 43.42 H new ATOM 0 HD2 TYR A 826 9.113 12.352 -22.294 1.00 21.43 H new ATOM 0 HE1 TYR A 826 6.594 15.103 -19.039 1.00 24.31 H new ATOM 0 HE2 TYR A 826 10.108 14.475 -21.338 1.00 62.03 H new ATOM 0 HH TYR A 826 9.882 15.874 -19.470 1.00 24.32 H new ATOM 750 N GLY A 827 5.387 8.242 -20.416 1.00 73.02 N ATOM 751 CA GLY A 827 5.148 6.847 -20.744 1.00 72.34 C ATOM 752 C GLY A 827 6.465 6.078 -20.861 1.00 63.43 C ATOM 753 O GLY A 827 6.465 4.853 -20.974 1.00 63.22 O ATOM 0 H GLY A 827 5.553 8.425 -19.426 1.00 73.02 H new ATOM 0 HA2 GLY A 827 4.523 6.391 -19.976 1.00 72.34 H new ATOM 0 HA3 GLY A 827 4.599 6.779 -21.683 1.00 72.34 H new ATOM 757 N ARG A 828 7.557 6.828 -20.830 1.00 55.44 N ATOM 758 CA ARG A 828 8.878 6.233 -20.932 1.00 30.55 C ATOM 759 C ARG A 828 9.340 5.730 -19.562 1.00 74.53 C ATOM 760 O ARG A 828 9.486 6.514 -18.626 1.00 33.41 O ATOM 761 CB ARG A 828 9.897 7.240 -21.467 1.00 50.31 C ATOM 762 CG ARG A 828 9.876 7.281 -22.996 1.00 63.35 C ATOM 763 CD ARG A 828 10.939 6.350 -23.584 1.00 3.11 C ATOM 764 NE ARG A 828 10.336 5.041 -23.920 1.00 41.22 N ATOM 765 CZ ARG A 828 11.037 3.894 -24.043 1.00 31.13 C ATOM 766 NH1 ARG A 828 12.374 3.885 -23.857 1.00 61.33 N ATOM 767 NH2 ARG A 828 10.395 2.781 -24.347 1.00 1.23 N ATOM 0 H ARG A 828 7.553 7.844 -20.736 1.00 55.44 H new ATOM 0 HA ARG A 828 8.812 5.397 -21.628 1.00 30.55 H new ATOM 0 HB2 ARG A 828 9.677 8.231 -21.070 1.00 50.31 H new ATOM 0 HB3 ARG A 828 10.895 6.972 -21.120 1.00 50.31 H new ATOM 0 HG2 ARG A 828 8.890 6.988 -23.358 1.00 63.35 H new ATOM 0 HG3 ARG A 828 10.051 8.301 -23.339 1.00 63.35 H new ATOM 0 HD2 ARG A 828 11.374 6.799 -24.477 1.00 3.11 H new ATOM 0 HD3 ARG A 828 11.750 6.213 -22.869 1.00 3.11 H new ATOM 0 HE ARG A 828 9.327 5.003 -24.068 1.00 41.22 H new ATOM 0 HH11 ARG A 828 12.862 4.749 -23.622 1.00 61.33 H new ATOM 0 HH12 ARG A 828 12.896 3.014 -23.952 1.00 61.33 H new ATOM 0 HH21 ARG A 828 9.385 2.797 -24.485 1.00 1.23 H new ATOM 0 HH22 ARG A 828 10.910 1.906 -24.444 1.00 1.23 H new ATOM 780 N ILE A 829 9.557 4.425 -19.489 1.00 74.41 N ATOM 781 CA ILE A 829 9.999 3.808 -18.250 1.00 33.30 C ATOM 782 C ILE A 829 11.527 3.835 -18.189 1.00 22.40 C ATOM 783 O ILE A 829 12.191 3.948 -19.218 1.00 62.53 O ATOM 784 CB ILE A 829 9.402 2.406 -18.107 1.00 1.14 C ATOM 785 CG1 ILE A 829 7.873 2.455 -18.144 1.00 23.50 C ATOM 786 CG2 ILE A 829 9.923 1.715 -16.845 1.00 0.02 C ATOM 787 CD1 ILE A 829 7.293 2.560 -16.732 1.00 43.51 C ATOM 0 H ILE A 829 9.435 3.778 -20.268 1.00 74.41 H new ATOM 0 HA ILE A 829 9.635 4.373 -17.392 1.00 33.30 H new ATOM 0 HB ILE A 829 9.726 1.808 -18.959 1.00 1.14 H new ATOM 0 HG12 ILE A 829 7.547 3.308 -18.739 1.00 23.50 H new ATOM 0 HG13 ILE A 829 7.489 1.560 -18.633 1.00 23.50 H new ATOM 0 HG21 ILE A 829 9.484 0.721 -16.767 1.00 0.02 H new ATOM 0 HG22 ILE A 829 11.008 1.629 -16.899 1.00 0.02 H new ATOM 0 HG23 ILE A 829 9.649 2.303 -15.969 1.00 0.02 H new ATOM 0 HD11 ILE A 829 6.205 2.593 -16.787 1.00 43.51 H new ATOM 0 HD12 ILE A 829 7.600 1.693 -16.147 1.00 43.51 H new ATOM 0 HD13 ILE A 829 7.660 3.469 -16.255 1.00 43.51 H new ATOM 799 N GLY A 830 12.041 3.729 -16.972 1.00 50.13 N ATOM 800 CA GLY A 830 13.479 3.740 -16.764 1.00 31.14 C ATOM 801 C GLY A 830 13.816 3.783 -15.272 1.00 21.22 C ATOM 802 O GLY A 830 12.955 3.535 -14.430 1.00 15.24 O ATOM 0 H GLY A 830 11.487 3.635 -16.120 1.00 50.13 H new ATOM 0 HA2 GLY A 830 13.922 2.852 -17.215 1.00 31.14 H new ATOM 0 HA3 GLY A 830 13.916 4.604 -17.264 1.00 31.14 H new ATOM 806 N TRP A 831 15.072 4.099 -14.990 1.00 73.24 N ATOM 807 CA TRP A 831 15.533 4.177 -13.615 1.00 4.31 C ATOM 808 C TRP A 831 16.211 5.535 -13.420 1.00 40.24 C ATOM 809 O TRP A 831 16.772 6.094 -14.362 1.00 30.41 O ATOM 810 CB TRP A 831 16.448 2.999 -13.276 1.00 30.35 C ATOM 811 CG TRP A 831 15.768 1.632 -13.382 1.00 14.44 C ATOM 812 CD1 TRP A 831 15.463 0.946 -14.492 1.00 13.53 C ATOM 813 CD2 TRP A 831 15.317 0.809 -12.285 1.00 64.44 C ATOM 814 NE1 TRP A 831 14.851 -0.254 -14.193 1.00 23.15 N ATOM 815 CE2 TRP A 831 14.760 -0.341 -12.808 1.00 43.42 C ATOM 816 CE3 TRP A 831 15.379 1.027 -10.898 1.00 0.31 C ATOM 817 CZ2 TRP A 831 14.222 -1.361 -12.015 1.00 61.01 C ATOM 818 CZ3 TRP A 831 14.837 -0.002 -10.119 1.00 12.01 C ATOM 819 CH2 TRP A 831 14.272 -1.165 -10.630 1.00 3.21 C ATOM 0 H TRP A 831 15.784 4.304 -15.691 1.00 73.24 H new ATOM 0 HA TRP A 831 14.694 4.103 -12.923 1.00 4.31 H new ATOM 0 HB2 TRP A 831 17.309 3.018 -13.944 1.00 30.35 H new ATOM 0 HB3 TRP A 831 16.827 3.127 -12.262 1.00 30.35 H new ATOM 0 HD1 TRP A 831 15.670 1.289 -15.495 1.00 13.53 H new ATOM 0 HE1 TRP A 831 14.525 -0.949 -14.864 1.00 23.15 H new ATOM 0 HE3 TRP A 831 15.811 1.918 -10.467 1.00 0.31 H new ATOM 0 HZ2 TRP A 831 13.791 -2.252 -12.448 1.00 61.01 H new ATOM 0 HZ3 TRP A 831 14.859 0.116 -9.046 1.00 12.01 H new ATOM 0 HH2 TRP A 831 13.874 -1.914 -9.961 1.00 3.21 H new ATOM 830 N PHE A 832 16.137 6.027 -12.192 1.00 53.25 N ATOM 831 CA PHE A 832 16.736 7.309 -11.862 1.00 50.14 C ATOM 832 C PHE A 832 17.058 7.395 -10.369 1.00 43.52 C ATOM 833 O PHE A 832 16.415 6.738 -9.553 1.00 12.35 O ATOM 834 CB PHE A 832 15.708 8.387 -12.213 1.00 63.24 C ATOM 835 CG PHE A 832 14.445 8.347 -11.351 1.00 23.23 C ATOM 836 CD1 PHE A 832 13.423 7.513 -11.681 1.00 33.14 C ATOM 837 CD2 PHE A 832 14.345 9.145 -10.254 1.00 62.12 C ATOM 838 CE1 PHE A 832 12.251 7.476 -10.880 1.00 74.20 C ATOM 839 CE2 PHE A 832 13.173 9.108 -9.454 1.00 31.24 C ATOM 840 CZ PHE A 832 12.150 8.274 -9.783 1.00 43.05 C ATOM 0 H PHE A 832 15.671 5.561 -11.413 1.00 53.25 H new ATOM 0 HA PHE A 832 17.666 7.439 -12.415 1.00 50.14 H new ATOM 0 HB2 PHE A 832 16.175 9.367 -12.110 1.00 63.24 H new ATOM 0 HB3 PHE A 832 15.425 8.277 -13.260 1.00 63.24 H new ATOM 0 HD1 PHE A 832 13.503 6.879 -12.552 1.00 33.14 H new ATOM 0 HD2 PHE A 832 15.157 9.807 -9.992 1.00 62.12 H new ATOM 0 HE1 PHE A 832 11.439 6.814 -11.142 1.00 74.20 H new ATOM 0 HE2 PHE A 832 13.093 9.742 -8.584 1.00 31.24 H new ATOM 0 HZ PHE A 832 11.259 8.245 -9.174 1.00 43.05 H new ATOM 850 N PRO A 833 18.081 8.233 -10.049 1.00 53.34 N ATOM 851 CA PRO A 833 18.496 8.414 -8.669 1.00 2.21 C ATOM 852 C PRO A 833 17.497 9.286 -7.905 1.00 62.13 C ATOM 853 O PRO A 833 16.896 10.194 -8.477 1.00 72.44 O ATOM 854 CB PRO A 833 19.882 9.033 -8.753 1.00 11.11 C ATOM 855 CG PRO A 833 19.999 9.603 -10.157 1.00 64.13 C ATOM 856 CD PRO A 833 18.865 9.028 -10.990 1.00 64.40 C ATOM 0 HA PRO A 833 18.525 7.477 -8.113 1.00 2.21 H new ATOM 0 HB2 PRO A 833 20.007 9.814 -8.003 1.00 11.11 H new ATOM 0 HB3 PRO A 833 20.655 8.287 -8.569 1.00 11.11 H new ATOM 0 HG2 PRO A 833 19.941 10.691 -10.133 1.00 64.13 H new ATOM 0 HG3 PRO A 833 20.963 9.345 -10.595 1.00 64.13 H new ATOM 0 HD2 PRO A 833 18.263 9.818 -11.439 1.00 64.40 H new ATOM 0 HD3 PRO A 833 19.245 8.414 -11.807 1.00 64.40 H new ATOM 864 N SER A 834 17.351 8.979 -6.625 1.00 3.54 N ATOM 865 CA SER A 834 16.436 9.724 -5.777 1.00 33.24 C ATOM 866 C SER A 834 17.106 11.007 -5.282 1.00 42.23 C ATOM 867 O SER A 834 16.523 11.755 -4.499 1.00 74.22 O ATOM 868 CB SER A 834 15.972 8.877 -4.590 1.00 73.52 C ATOM 869 OG SER A 834 16.884 8.943 -3.498 1.00 23.34 O ATOM 0 H SER A 834 17.851 8.225 -6.154 1.00 3.54 H new ATOM 0 HA SER A 834 15.559 9.985 -6.369 1.00 33.24 H new ATOM 0 HB2 SER A 834 14.990 9.218 -4.263 1.00 73.52 H new ATOM 0 HB3 SER A 834 15.860 7.840 -4.906 1.00 73.52 H new ATOM 0 HG SER A 834 16.551 8.391 -2.760 1.00 23.34 H new ATOM 875 N ASN A 835 18.323 11.223 -5.760 1.00 71.03 N ATOM 876 CA ASN A 835 19.079 12.403 -5.377 1.00 22.01 C ATOM 877 C ASN A 835 19.058 13.413 -6.526 1.00 63.54 C ATOM 878 O ASN A 835 19.646 14.488 -6.423 1.00 54.41 O ATOM 879 CB ASN A 835 20.539 12.050 -5.084 1.00 12.41 C ATOM 880 CG ASN A 835 20.640 10.733 -4.312 1.00 5.41 C ATOM 881 OD1 ASN A 835 21.030 9.704 -4.838 1.00 62.11 O ATOM 882 ND2 ASN A 835 20.269 10.823 -3.038 1.00 1.00 N ATOM 0 H ASN A 835 18.804 10.600 -6.409 1.00 71.03 H new ATOM 0 HA ASN A 835 18.621 12.820 -4.480 1.00 22.01 H new ATOM 0 HB2 ASN A 835 21.093 11.971 -6.020 1.00 12.41 H new ATOM 0 HB3 ASN A 835 21.002 12.851 -4.507 1.00 12.41 H new ATOM 0 HD21 ASN A 835 20.301 9.999 -2.438 1.00 1.00 H new ATOM 0 HD22 ASN A 835 19.952 11.716 -2.661 1.00 1.00 H new ATOM 889 N TYR A 836 18.376 13.030 -7.595 1.00 74.24 N ATOM 890 CA TYR A 836 18.270 13.888 -8.763 1.00 44.21 C ATOM 891 C TYR A 836 16.816 14.286 -9.022 1.00 12.22 C ATOM 892 O TYR A 836 16.474 14.722 -10.120 1.00 12.11 O ATOM 893 CB TYR A 836 18.777 13.058 -9.944 1.00 21.21 C ATOM 894 CG TYR A 836 20.298 13.080 -10.113 1.00 75.21 C ATOM 895 CD1 TYR A 836 21.109 12.560 -9.126 1.00 24.44 C ATOM 896 CD2 TYR A 836 20.857 13.620 -11.253 1.00 62.11 C ATOM 897 CE1 TYR A 836 22.540 12.580 -9.285 1.00 4.32 C ATOM 898 CE2 TYR A 836 22.288 13.641 -11.412 1.00 63.43 C ATOM 899 CZ TYR A 836 23.059 13.120 -10.420 1.00 62.24 C ATOM 900 OH TYR A 836 24.411 13.139 -10.571 1.00 13.43 O ATOM 0 H TYR A 836 17.891 12.136 -7.677 1.00 74.24 H new ATOM 0 HA TYR A 836 18.843 14.804 -8.619 1.00 44.21 H new ATOM 0 HB2 TYR A 836 18.451 12.026 -9.816 1.00 21.21 H new ATOM 0 HB3 TYR A 836 18.315 13.427 -10.859 1.00 21.21 H new ATOM 0 HD1 TYR A 836 20.671 12.138 -8.234 1.00 24.44 H new ATOM 0 HD2 TYR A 836 20.222 14.027 -12.026 1.00 62.11 H new ATOM 0 HE1 TYR A 836 23.186 12.175 -8.520 1.00 4.32 H new ATOM 0 HE2 TYR A 836 22.739 14.061 -12.299 1.00 63.43 H new ATOM 0 HH TYR A 836 24.638 13.553 -11.430 1.00 13.43 H new ATOM 910 N VAL A 837 15.999 14.122 -7.992 1.00 13.11 N ATOM 911 CA VAL A 837 14.589 14.459 -8.094 1.00 31.21 C ATOM 912 C VAL A 837 14.065 14.866 -6.715 1.00 43.54 C ATOM 913 O VAL A 837 14.641 14.495 -5.694 1.00 21.01 O ATOM 914 CB VAL A 837 13.815 13.290 -8.706 1.00 34.52 C ATOM 915 CG1 VAL A 837 14.225 13.063 -10.162 1.00 74.22 C ATOM 916 CG2 VAL A 837 14.001 12.016 -7.879 1.00 21.12 C ATOM 0 H VAL A 837 16.286 13.760 -7.083 1.00 13.11 H new ATOM 0 HA VAL A 837 14.447 15.310 -8.760 1.00 31.21 H new ATOM 0 HB VAL A 837 12.756 13.546 -8.693 1.00 34.52 H new ATOM 0 HG11 VAL A 837 13.660 12.226 -10.573 1.00 74.22 H new ATOM 0 HG12 VAL A 837 14.017 13.962 -10.743 1.00 74.22 H new ATOM 0 HG13 VAL A 837 15.291 12.839 -10.209 1.00 74.22 H new ATOM 0 HG21 VAL A 837 13.440 11.201 -8.336 1.00 21.12 H new ATOM 0 HG22 VAL A 837 15.059 11.755 -7.846 1.00 21.12 H new ATOM 0 HG23 VAL A 837 13.637 12.184 -6.866 1.00 21.12 H new ATOM 926 N GLU A 838 12.979 15.625 -6.731 1.00 2.12 N ATOM 927 CA GLU A 838 12.371 16.087 -5.495 1.00 4.34 C ATOM 928 C GLU A 838 11.380 15.047 -4.969 1.00 62.01 C ATOM 929 O GLU A 838 11.193 13.998 -5.583 1.00 33.43 O ATOM 930 CB GLU A 838 11.690 17.443 -5.692 1.00 23.02 C ATOM 931 CG GLU A 838 12.692 18.588 -5.533 1.00 44.33 C ATOM 932 CD GLU A 838 11.985 19.884 -5.130 1.00 61.31 C ATOM 933 OE1 GLU A 838 10.986 20.266 -5.757 1.00 70.34 O ATOM 934 OE2 GLU A 838 12.508 20.500 -4.125 1.00 0.40 O ATOM 0 H GLU A 838 12.505 15.931 -7.580 1.00 2.12 H new ATOM 0 HA GLU A 838 13.158 16.217 -4.753 1.00 4.34 H new ATOM 0 HB2 GLU A 838 11.237 17.486 -6.683 1.00 23.02 H new ATOM 0 HB3 GLU A 838 10.884 17.558 -4.968 1.00 23.02 H new ATOM 0 HG2 GLU A 838 13.434 18.325 -4.779 1.00 44.33 H new ATOM 0 HG3 GLU A 838 13.229 18.739 -6.469 1.00 44.33 H new ATOM 942 N GLU A 839 10.772 15.374 -3.839 1.00 13.34 N ATOM 943 CA GLU A 839 9.804 14.481 -3.224 1.00 4.34 C ATOM 944 C GLU A 839 8.829 15.275 -2.352 1.00 30.43 C ATOM 945 O GLU A 839 9.247 16.079 -1.520 1.00 42.04 O ATOM 946 CB GLU A 839 10.505 13.391 -2.410 1.00 75.23 C ATOM 947 CG GLU A 839 11.243 12.412 -3.326 1.00 54.42 C ATOM 948 CD GLU A 839 12.655 12.912 -3.638 1.00 54.21 C ATOM 949 OE1 GLU A 839 13.233 13.670 -2.845 1.00 64.32 O ATOM 950 OE2 GLU A 839 13.151 12.485 -4.750 1.00 0.14 O ATOM 0 H GLU A 839 10.931 16.245 -3.333 1.00 13.34 H new ATOM 0 HA GLU A 839 9.237 13.990 -4.015 1.00 4.34 H new ATOM 0 HB2 GLU A 839 11.211 13.848 -1.716 1.00 75.23 H new ATOM 0 HB3 GLU A 839 9.772 12.851 -1.810 1.00 75.23 H new ATOM 0 HG2 GLU A 839 11.297 11.433 -2.850 1.00 54.42 H new ATOM 0 HG3 GLU A 839 10.685 12.285 -4.254 1.00 54.42 H new ATOM 958 N ASP A 840 7.547 15.020 -2.571 1.00 44.33 N ATOM 959 CA ASP A 840 6.509 15.701 -1.816 1.00 22.31 C ATOM 960 C ASP A 840 6.852 17.188 -1.712 1.00 51.21 C ATOM 961 O ASP A 840 6.511 17.840 -0.726 1.00 42.02 O ATOM 962 CB ASP A 840 6.404 15.140 -0.396 1.00 74.34 C ATOM 963 CG ASP A 840 5.340 15.800 0.482 1.00 13.45 C ATOM 964 OD1 ASP A 840 5.655 16.608 1.369 1.00 41.12 O ATOM 965 OD2 ASP A 840 4.125 15.451 0.224 1.00 22.52 O ATOM 0 H ASP A 840 7.204 14.351 -3.260 1.00 44.33 H new ATOM 0 HA ASP A 840 5.562 15.552 -2.334 1.00 22.31 H new ATOM 0 HB2 ASP A 840 6.192 14.073 -0.458 1.00 74.34 H new ATOM 0 HB3 ASP A 840 7.373 15.245 0.092 1.00 74.34 H new ATOM 971 N TYR A 841 7.522 17.682 -2.743 1.00 74.33 N ATOM 972 CA TYR A 841 7.914 19.080 -2.781 1.00 1.35 C ATOM 973 C TYR A 841 6.691 19.996 -2.695 1.00 71.50 C ATOM 974 O TYR A 841 5.571 19.525 -2.502 1.00 21.42 O ATOM 975 CB TYR A 841 8.600 19.290 -4.132 1.00 74.01 C ATOM 976 CG TYR A 841 7.823 18.717 -5.319 1.00 61.32 C ATOM 977 CD1 TYR A 841 6.791 19.439 -5.883 1.00 1.35 C ATOM 978 CD2 TYR A 841 8.155 17.477 -5.827 1.00 33.22 C ATOM 979 CE1 TYR A 841 6.060 18.900 -7.000 1.00 22.32 C ATOM 980 CE2 TYR A 841 7.424 16.937 -6.944 1.00 51.21 C ATOM 981 CZ TYR A 841 6.413 17.675 -7.475 1.00 53.34 C ATOM 982 OH TYR A 841 5.722 17.166 -8.531 1.00 25.34 O ATOM 0 H TYR A 841 7.803 17.138 -3.559 1.00 74.33 H new ATOM 0 HA TYR A 841 8.566 19.318 -1.940 1.00 1.35 H new ATOM 0 HB2 TYR A 841 8.750 20.358 -4.290 1.00 74.01 H new ATOM 0 HB3 TYR A 841 9.588 18.831 -4.102 1.00 74.01 H new ATOM 0 HD1 TYR A 841 6.531 20.409 -5.486 1.00 1.35 H new ATOM 0 HD2 TYR A 841 8.963 16.912 -5.387 1.00 33.22 H new ATOM 0 HE1 TYR A 841 5.250 19.455 -7.450 1.00 22.32 H new ATOM 0 HE2 TYR A 841 7.673 15.968 -7.351 1.00 51.21 H new ATOM 0 HH TYR A 841 5.397 17.900 -9.094 1.00 25.34 H new ATOM 992 N SER A 842 6.947 21.287 -2.843 1.00 54.11 N ATOM 993 CA SER A 842 5.880 22.273 -2.785 1.00 63.50 C ATOM 994 C SER A 842 5.635 22.861 -4.176 1.00 22.20 C ATOM 995 O SER A 842 6.414 22.627 -5.099 1.00 1.11 O ATOM 996 CB SER A 842 6.213 23.385 -1.789 1.00 54.41 C ATOM 997 OG SER A 842 6.934 24.451 -2.401 1.00 11.42 O ATOM 0 H SER A 842 7.877 21.674 -3.003 1.00 54.11 H new ATOM 0 HA SER A 842 4.972 21.776 -2.443 1.00 63.50 H new ATOM 0 HB2 SER A 842 5.291 23.772 -1.356 1.00 54.41 H new ATOM 0 HB3 SER A 842 6.801 22.973 -0.969 1.00 54.41 H new ATOM 0 HG SER A 842 7.126 25.142 -1.733 1.00 11.42 H new ATOM 1003 N GLU A 843 4.550 23.613 -4.282 1.00 74.14 N ATOM 1004 CA GLU A 843 4.192 24.236 -5.545 1.00 40.42 C ATOM 1005 C GLU A 843 4.720 25.672 -5.597 1.00 34.33 C ATOM 1006 O GLU A 843 4.510 26.448 -4.666 1.00 35.32 O ATOM 1007 CB GLU A 843 2.678 24.200 -5.765 1.00 44.52 C ATOM 1008 CG GLU A 843 1.985 25.325 -4.993 1.00 43.24 C ATOM 1009 CD GLU A 843 0.539 24.952 -4.661 1.00 62.30 C ATOM 1010 OE1 GLU A 843 0.303 23.981 -3.927 1.00 12.05 O ATOM 1011 OE2 GLU A 843 -0.357 25.711 -5.195 1.00 5.33 O ATOM 0 H GLU A 843 3.907 23.805 -3.514 1.00 74.14 H new ATOM 0 HA GLU A 843 4.657 23.669 -6.352 1.00 40.42 H new ATOM 0 HB2 GLU A 843 2.459 24.295 -6.829 1.00 44.52 H new ATOM 0 HB3 GLU A 843 2.283 23.236 -5.443 1.00 44.52 H new ATOM 0 HG2 GLU A 843 2.532 25.530 -4.073 1.00 43.24 H new ATOM 0 HG3 GLU A 843 2.002 26.241 -5.584 1.00 43.24 H new ATOM 1019 N TYR A 844 5.395 25.981 -6.694 1.00 14.21 N ATOM 1020 CA TYR A 844 5.954 27.309 -6.879 1.00 12.51 C ATOM 1021 C TYR A 844 5.487 27.921 -8.201 1.00 44.54 C ATOM 1022 O TYR A 844 6.235 28.652 -8.849 1.00 42.51 O ATOM 1023 CB TYR A 844 7.472 27.125 -6.923 1.00 50.42 C ATOM 1024 CG TYR A 844 8.252 28.430 -7.099 1.00 21.33 C ATOM 1025 CD1 TYR A 844 7.613 29.643 -6.940 1.00 61.34 C ATOM 1026 CD2 TYR A 844 9.595 28.393 -7.415 1.00 40.44 C ATOM 1027 CE1 TYR A 844 8.347 30.870 -7.106 1.00 3.34 C ATOM 1028 CE2 TYR A 844 10.329 29.621 -7.581 1.00 3.13 C ATOM 1029 CZ TYR A 844 9.669 30.799 -7.418 1.00 22.14 C ATOM 1030 OH TYR A 844 10.363 31.958 -7.574 1.00 13.43 O ATOM 0 H TYR A 844 5.567 25.334 -7.464 1.00 14.21 H new ATOM 0 HA TYR A 844 5.637 27.974 -6.076 1.00 12.51 H new ATOM 0 HB2 TYR A 844 7.796 26.641 -6.001 1.00 50.42 H new ATOM 0 HB3 TYR A 844 7.722 26.451 -7.742 1.00 50.42 H new ATOM 0 HD1 TYR A 844 6.562 29.672 -6.691 1.00 61.34 H new ATOM 0 HD2 TYR A 844 10.095 27.444 -7.538 1.00 40.44 H new ATOM 0 HE1 TYR A 844 7.859 31.826 -6.985 1.00 3.34 H new ATOM 0 HE2 TYR A 844 11.380 29.607 -7.829 1.00 3.13 H new ATOM 0 HH TYR A 844 11.296 31.754 -7.794 1.00 13.43 H new ATOM 1040 N LEU A 845 4.254 27.600 -8.563 1.00 10.21 N ATOM 1041 CA LEU A 845 3.679 28.109 -9.796 1.00 40.25 C ATOM 1042 C LEU A 845 3.900 29.621 -9.871 1.00 42.32 C ATOM 1043 O LEU A 845 4.056 30.281 -8.845 1.00 14.01 O ATOM 1044 CB LEU A 845 2.211 27.696 -9.914 1.00 34.13 C ATOM 1045 CG LEU A 845 1.951 26.212 -10.183 1.00 52.42 C ATOM 1046 CD1 LEU A 845 0.495 25.976 -10.589 1.00 32.41 C ATOM 1047 CD2 LEU A 845 2.932 25.664 -11.221 1.00 74.34 C ATOM 0 H LEU A 845 3.637 26.993 -8.023 1.00 10.21 H new ATOM 0 HA LEU A 845 4.180 27.670 -10.659 1.00 40.25 H new ATOM 0 HB2 LEU A 845 1.701 27.972 -8.991 1.00 34.13 H new ATOM 0 HB3 LEU A 845 1.754 28.276 -10.716 1.00 34.13 H new ATOM 0 HG LEU A 845 2.120 25.661 -9.258 1.00 52.42 H new ATOM 0 HD11 LEU A 845 0.337 24.914 -10.774 1.00 32.41 H new ATOM 0 HD12 LEU A 845 -0.165 26.307 -9.787 1.00 32.41 H new ATOM 0 HD13 LEU A 845 0.274 26.539 -11.496 1.00 32.41 H new ATOM 0 HD21 LEU A 845 2.726 24.608 -11.394 1.00 74.34 H new ATOM 0 HD22 LEU A 845 2.818 26.214 -12.155 1.00 74.34 H new ATOM 0 HD23 LEU A 845 3.952 25.779 -10.854 1.00 74.34 H new ATOM 1059 N PRO A 846 3.907 30.140 -11.129 1.00 25.44 N ATOM 1060 CA PRO A 846 4.107 31.562 -11.351 1.00 20.52 C ATOM 1061 C PRO A 846 2.848 32.354 -10.994 1.00 10.31 C ATOM 1062 O PRO A 846 1.959 31.842 -10.316 1.00 73.21 O ATOM 1063 CB PRO A 846 4.488 31.681 -12.817 1.00 64.12 C ATOM 1064 CG PRO A 846 4.038 30.385 -13.472 1.00 14.30 C ATOM 1065 CD PRO A 846 3.727 29.389 -12.367 1.00 74.54 C ATOM 0 HA PRO A 846 4.887 31.982 -10.716 1.00 20.52 H new ATOM 0 HB2 PRO A 846 4.002 32.541 -13.278 1.00 64.12 H new ATOM 0 HB3 PRO A 846 5.563 31.823 -12.931 1.00 64.12 H new ATOM 0 HG2 PRO A 846 3.157 30.556 -14.091 1.00 14.30 H new ATOM 0 HG3 PRO A 846 4.818 29.997 -14.127 1.00 14.30 H new ATOM 0 HD2 PRO A 846 2.710 29.006 -12.454 1.00 74.54 H new ATOM 0 HD3 PRO A 846 4.396 28.529 -12.409 1.00 74.54 H new ATOM 1073 N GLU A 847 2.813 33.592 -11.467 1.00 33.45 N ATOM 1074 CA GLU A 847 1.677 34.460 -11.206 1.00 3.10 C ATOM 1075 C GLU A 847 0.594 34.250 -12.266 1.00 0.01 C ATOM 1076 O GLU A 847 0.805 34.545 -13.441 1.00 41.02 O ATOM 1077 CB GLU A 847 2.111 35.926 -11.148 1.00 15.30 C ATOM 1078 CG GLU A 847 2.715 36.266 -9.784 1.00 63.22 C ATOM 1079 CD GLU A 847 4.067 35.574 -9.596 1.00 71.23 C ATOM 1080 OE1 GLU A 847 5.033 35.897 -10.304 1.00 14.02 O ATOM 1081 OE2 GLU A 847 4.094 34.671 -8.675 1.00 73.24 O ATOM 0 H GLU A 847 3.552 34.014 -12.029 1.00 33.45 H new ATOM 0 HA GLU A 847 1.260 34.199 -10.233 1.00 3.10 H new ATOM 0 HB2 GLU A 847 2.841 36.124 -11.933 1.00 15.30 H new ATOM 0 HB3 GLU A 847 1.253 36.571 -11.341 1.00 15.30 H new ATOM 0 HG2 GLU A 847 2.839 37.345 -9.696 1.00 63.22 H new ATOM 0 HG3 GLU A 847 2.032 35.958 -8.993 1.00 63.22 H new ATOM 1089 N THR A 848 -0.542 33.742 -11.812 1.00 73.21 N ATOM 1090 CA THR A 848 -1.659 33.489 -12.707 1.00 20.23 C ATOM 1091 C THR A 848 -2.198 34.804 -13.272 1.00 43.24 C ATOM 1092 O THR A 848 -2.948 35.511 -12.602 1.00 12.41 O ATOM 1093 CB THR A 848 -2.708 32.683 -11.938 1.00 1.25 C ATOM 1094 OG1 THR A 848 -3.201 33.597 -10.962 1.00 4.23 O ATOM 1095 CG2 THR A 848 -2.089 31.554 -11.111 1.00 62.13 C ATOM 0 H THR A 848 -0.713 33.499 -10.836 1.00 73.21 H new ATOM 0 HA THR A 848 -1.348 32.903 -13.572 1.00 20.23 H new ATOM 0 HB THR A 848 -3.430 32.265 -12.639 1.00 1.25 H new ATOM 0 HG1 THR A 848 -3.562 34.390 -11.410 1.00 4.23 H new ATOM 0 HG21 THR A 848 -2.877 31.014 -10.586 1.00 62.13 H new ATOM 0 HG22 THR A 848 -1.557 30.869 -11.771 1.00 62.13 H new ATOM 0 HG23 THR A 848 -1.391 31.974 -10.386 1.00 62.13 H new TER 1103 THR A 848