USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 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 31 HIS : no HD1:sc= -0.698 K(o=-0.7,f=-5.6!) USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 ASN : amide:sc= 2.27 K(o=3.3,f=1.6) USER MOD Set 2.2: A 67 THR OG1 : rot -24:sc= 1.05 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.142 (180deg=-0.703) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.0935 (180deg=-0.17) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.036) USER MOD Single : A 23 ASN : amide:sc= 0.366 X(o=0.37,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 25:sc= 0.471 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.82) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-6!) USER MOD Single : A 43 HIS : no HD1:sc=-0.00751 X(o=-0.0075,f=-0.074) USER MOD Single : A 44 SER OG : rot 180:sc= 0.342 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0343 USER MOD Single : A 49 TYR OH : rot -144:sc= 0.637 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 70:sc= 2.1 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= 1.05 K(o=1,f=-6.1!) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.039) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.647 K(o=0.65,f=-5.2!) USER MOD Single : A 81 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.72) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.428 K(o=0.43,f=-5.5!) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 56.348 -24.420 -21.516 1.00 0.00 N ATOM 2 CA MET A 1 56.428 -23.100 -20.845 1.00 0.00 C ATOM 3 C MET A 1 57.268 -23.173 -19.576 1.00 0.00 C ATOM 4 O MET A 1 57.158 -22.312 -18.704 1.00 0.00 O ATOM 5 CB MET A 1 55.022 -22.587 -20.501 1.00 0.00 C ATOM 6 CG MET A 1 54.248 -22.071 -21.703 1.00 0.00 C ATOM 7 SD MET A 1 55.060 -20.664 -22.494 1.00 0.00 S ATOM 8 CE MET A 1 55.092 -19.484 -21.143 1.00 0.00 C ATOM 0 H1 MET A 1 55.663 -24.371 -22.297 1.00 0.00 H new ATOM 0 H2 MET A 1 57.284 -24.676 -21.891 1.00 0.00 H new ATOM 0 H3 MET A 1 56.041 -25.140 -20.831 1.00 0.00 H new ATOM 0 HA MET A 1 56.907 -22.408 -21.538 1.00 0.00 H new ATOM 0 HB2 MET A 1 54.455 -23.392 -20.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 55.107 -21.788 -19.764 1.00 0.00 H new ATOM 0 HG2 MET A 1 54.132 -22.875 -22.429 1.00 0.00 H new ATOM 0 HG3 MET A 1 53.246 -21.779 -21.388 1.00 0.00 H new ATOM 0 HE1 MET A 1 55.224 -18.478 -21.542 1.00 0.00 H new ATOM 0 HE2 MET A 1 54.153 -19.536 -20.592 1.00 0.00 H new ATOM 0 HE3 MET A 1 55.919 -19.720 -20.473 1.00 0.00 H new ATOM 20 N ALA A 2 58.124 -24.182 -19.476 1.00 0.00 N ATOM 21 CA ALA A 2 58.945 -24.356 -18.289 1.00 0.00 C ATOM 22 C ALA A 2 60.415 -24.126 -18.605 1.00 0.00 C ATOM 23 O ALA A 2 61.114 -25.037 -19.057 1.00 0.00 O ATOM 24 CB ALA A 2 58.734 -25.737 -17.695 1.00 0.00 C ATOM 0 H ALA A 2 58.266 -24.887 -20.199 1.00 0.00 H new ATOM 0 HA ALA A 2 58.639 -23.613 -17.553 1.00 0.00 H new ATOM 0 HB1 ALA A 2 59.356 -25.850 -16.807 1.00 0.00 H new ATOM 0 HB2 ALA A 2 57.686 -25.859 -17.422 1.00 0.00 H new ATOM 0 HB3 ALA A 2 59.008 -26.495 -18.429 1.00 0.00 H new ATOM 30 N GLY A 3 60.869 -22.902 -18.388 1.00 0.00 N ATOM 31 CA GLY A 3 62.257 -22.572 -18.632 1.00 0.00 C ATOM 32 C GLY A 3 62.877 -21.841 -17.461 1.00 0.00 C ATOM 33 O GLY A 3 62.476 -22.046 -16.311 1.00 0.00 O ATOM 0 H GLY A 3 60.299 -22.128 -18.046 1.00 0.00 H new ATOM 0 HA2 GLY A 3 62.818 -23.486 -18.828 1.00 0.00 H new ATOM 0 HA3 GLY A 3 62.331 -21.954 -19.527 1.00 0.00 H new ATOM 37 N ASP A 4 63.845 -20.979 -17.742 1.00 0.00 N ATOM 38 CA ASP A 4 64.508 -20.219 -16.695 1.00 0.00 C ATOM 39 C ASP A 4 64.263 -18.722 -16.868 1.00 0.00 C ATOM 40 O ASP A 4 64.875 -18.060 -17.706 1.00 0.00 O ATOM 41 CB ASP A 4 66.015 -20.538 -16.639 1.00 0.00 C ATOM 42 CG ASP A 4 66.773 -20.217 -17.918 1.00 0.00 C ATOM 43 OD1 ASP A 4 66.629 -20.965 -18.912 1.00 0.00 O ATOM 44 OD2 ASP A 4 67.541 -19.233 -17.930 1.00 0.00 O ATOM 0 H ASP A 4 64.187 -20.790 -18.684 1.00 0.00 H new ATOM 0 HA ASP A 4 64.076 -20.519 -15.741 1.00 0.00 H new ATOM 0 HB2 ASP A 4 66.462 -19.980 -15.816 1.00 0.00 H new ATOM 0 HB3 ASP A 4 66.142 -21.597 -16.412 1.00 0.00 H new ATOM 49 N PRO A 5 63.321 -18.170 -16.091 1.00 0.00 N ATOM 50 CA PRO A 5 63.044 -16.738 -16.085 1.00 0.00 C ATOM 51 C PRO A 5 63.967 -15.990 -15.127 1.00 0.00 C ATOM 52 O PRO A 5 63.867 -14.773 -14.977 1.00 0.00 O ATOM 53 CB PRO A 5 61.597 -16.680 -15.603 1.00 0.00 C ATOM 54 CG PRO A 5 61.457 -17.852 -14.687 1.00 0.00 C ATOM 55 CD PRO A 5 62.426 -18.904 -15.172 1.00 0.00 C ATOM 0 HA PRO A 5 63.203 -16.269 -17.056 1.00 0.00 H new ATOM 0 HB2 PRO A 5 61.389 -15.744 -15.084 1.00 0.00 H new ATOM 0 HB3 PRO A 5 60.898 -16.743 -16.437 1.00 0.00 H new ATOM 0 HG2 PRO A 5 61.679 -17.567 -13.658 1.00 0.00 H new ATOM 0 HG3 PRO A 5 60.436 -18.232 -14.699 1.00 0.00 H new ATOM 0 HD2 PRO A 5 62.980 -19.348 -14.345 1.00 0.00 H new ATOM 0 HD3 PRO A 5 61.910 -19.717 -15.682 1.00 0.00 H new ATOM 63 N LEU A 6 64.867 -16.747 -14.498 1.00 0.00 N ATOM 64 CA LEU A 6 65.810 -16.218 -13.514 1.00 0.00 C ATOM 65 C LEU A 6 65.087 -15.579 -12.334 1.00 0.00 C ATOM 66 O LEU A 6 64.794 -14.383 -12.342 1.00 0.00 O ATOM 67 CB LEU A 6 66.788 -15.212 -14.139 1.00 0.00 C ATOM 68 CG LEU A 6 67.983 -15.822 -14.880 1.00 0.00 C ATOM 69 CD1 LEU A 6 67.534 -16.562 -16.126 1.00 0.00 C ATOM 70 CD2 LEU A 6 68.990 -14.741 -15.238 1.00 0.00 C ATOM 0 H LEU A 6 64.962 -17.750 -14.658 1.00 0.00 H new ATOM 0 HA LEU A 6 66.386 -17.068 -13.149 1.00 0.00 H new ATOM 0 HB2 LEU A 6 66.236 -14.580 -14.835 1.00 0.00 H new ATOM 0 HB3 LEU A 6 67.166 -14.562 -13.350 1.00 0.00 H new ATOM 0 HG LEU A 6 68.462 -16.542 -14.216 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.403 -16.984 -16.631 1.00 0.00 H new ATOM 0 HD12 LEU A 6 66.851 -17.364 -15.846 1.00 0.00 H new ATOM 0 HD13 LEU A 6 67.025 -15.870 -16.797 1.00 0.00 H new ATOM 0 HD21 LEU A 6 69.833 -15.189 -15.764 1.00 0.00 H new ATOM 0 HD22 LEU A 6 68.515 -13.999 -15.880 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.345 -14.259 -14.327 1.00 0.00 H new ATOM 82 N PRO A 7 64.765 -16.382 -11.309 1.00 0.00 N ATOM 83 CA PRO A 7 64.181 -15.875 -10.073 1.00 0.00 C ATOM 84 C PRO A 7 65.204 -15.060 -9.294 1.00 0.00 C ATOM 85 O PRO A 7 66.036 -15.615 -8.571 1.00 0.00 O ATOM 86 CB PRO A 7 63.780 -17.140 -9.294 1.00 0.00 C ATOM 87 CG PRO A 7 63.909 -18.269 -10.265 1.00 0.00 C ATOM 88 CD PRO A 7 64.937 -17.841 -11.272 1.00 0.00 C ATOM 0 HA PRO A 7 63.334 -15.213 -10.251 1.00 0.00 H new ATOM 0 HB2 PRO A 7 64.428 -17.290 -8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 7 62.760 -17.062 -8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 7 64.217 -19.184 -9.759 1.00 0.00 H new ATOM 0 HG3 PRO A 7 62.954 -18.478 -10.748 1.00 0.00 H new ATOM 0 HD2 PRO A 7 65.945 -18.122 -10.966 1.00 0.00 H new ATOM 0 HD3 PRO A 7 64.761 -18.294 -12.248 1.00 0.00 H new ATOM 96 N LYS A 8 65.172 -13.746 -9.487 1.00 0.00 N ATOM 97 CA LYS A 8 66.142 -12.861 -8.866 1.00 0.00 C ATOM 98 C LYS A 8 66.058 -12.939 -7.349 1.00 0.00 C ATOM 99 O LYS A 8 64.977 -12.878 -6.762 1.00 0.00 O ATOM 100 CB LYS A 8 65.963 -11.420 -9.354 1.00 0.00 C ATOM 101 CG LYS A 8 64.570 -10.844 -9.152 1.00 0.00 C ATOM 102 CD LYS A 8 64.447 -9.470 -9.796 1.00 0.00 C ATOM 103 CE LYS A 8 64.659 -9.542 -11.302 1.00 0.00 C ATOM 104 NZ LYS A 8 64.668 -8.198 -11.933 1.00 0.00 N ATOM 0 H LYS A 8 64.482 -13.273 -10.070 1.00 0.00 H new ATOM 0 HA LYS A 8 67.137 -13.193 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 8 66.682 -10.785 -8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 8 66.207 -11.378 -10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 8 63.829 -11.518 -9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 8 64.355 -10.770 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 8 63.462 -9.054 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 8 65.179 -8.793 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 8 65.603 -10.045 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 8 63.870 -10.146 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 64.815 -8.297 -12.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 63.758 -7.726 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 65.437 -7.629 -11.526 1.00 0.00 H new ATOM 118 N TYR A 9 67.217 -13.087 -6.730 1.00 0.00 N ATOM 119 CA TYR A 9 67.309 -13.241 -5.287 1.00 0.00 C ATOM 120 C TYR A 9 67.350 -11.880 -4.611 1.00 0.00 C ATOM 121 O TYR A 9 67.553 -11.779 -3.406 1.00 0.00 O ATOM 122 CB TYR A 9 68.566 -14.037 -4.928 1.00 0.00 C ATOM 123 CG TYR A 9 68.687 -15.352 -5.663 1.00 0.00 C ATOM 124 CD1 TYR A 9 68.081 -16.496 -5.173 1.00 0.00 C ATOM 125 CD2 TYR A 9 69.411 -15.445 -6.847 1.00 0.00 C ATOM 126 CE1 TYR A 9 68.189 -17.702 -5.839 1.00 0.00 C ATOM 127 CE2 TYR A 9 69.523 -16.644 -7.520 1.00 0.00 C ATOM 128 CZ TYR A 9 68.911 -17.770 -7.013 1.00 0.00 C ATOM 129 OH TYR A 9 69.022 -18.970 -7.680 1.00 0.00 O ATOM 0 H TYR A 9 68.117 -13.104 -7.210 1.00 0.00 H new ATOM 0 HA TYR A 9 66.429 -13.780 -4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 9 69.444 -13.428 -5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 9 68.568 -14.230 -3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 9 67.514 -16.445 -4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 9 69.893 -14.565 -7.246 1.00 0.00 H new ATOM 0 HE1 TYR A 9 67.711 -18.586 -5.443 1.00 0.00 H new ATOM 0 HE2 TYR A 9 70.087 -16.700 -8.439 1.00 0.00 H new ATOM 0 HH TYR A 9 69.562 -18.846 -8.488 1.00 0.00 H new ATOM 139 N TRP A 10 67.154 -10.833 -5.399 1.00 0.00 N ATOM 140 CA TRP A 10 67.212 -9.475 -4.894 1.00 0.00 C ATOM 141 C TRP A 10 65.907 -8.747 -5.174 1.00 0.00 C ATOM 142 O TRP A 10 65.579 -8.460 -6.326 1.00 0.00 O ATOM 143 CB TRP A 10 68.381 -8.725 -5.529 1.00 0.00 C ATOM 144 CG TRP A 10 69.699 -9.412 -5.325 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.444 -9.430 -4.182 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.430 -10.179 -6.294 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.585 -10.167 -4.377 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.600 -10.638 -5.663 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.201 -10.532 -7.628 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.546 -11.421 -6.322 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.143 -11.307 -8.283 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.299 -11.748 -7.627 1.00 0.00 C ATOM 0 H TRP A 10 66.952 -10.902 -6.396 1.00 0.00 H new ATOM 0 HA TRP A 10 67.363 -9.513 -3.815 1.00 0.00 H new ATOM 0 HB2 TRP A 10 68.197 -8.614 -6.598 1.00 0.00 H new ATOM 0 HB3 TRP A 10 68.432 -7.721 -5.109 1.00 0.00 H new ATOM 0 HD1 TRP A 10 70.175 -8.937 -3.260 1.00 0.00 H new ATOM 0 HE1 TRP A 10 72.307 -10.337 -3.676 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.306 -10.206 -8.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.441 -11.757 -5.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 70.984 -11.576 -9.317 1.00 0.00 H new ATOM 0 HH2 TRP A 10 73.010 -12.359 -8.163 1.00 0.00 H new ATOM 163 N SER A 11 65.169 -8.456 -4.115 1.00 0.00 N ATOM 164 CA SER A 11 63.888 -7.784 -4.236 1.00 0.00 C ATOM 165 C SER A 11 64.091 -6.277 -4.391 1.00 0.00 C ATOM 166 O SER A 11 63.280 -5.591 -5.015 1.00 0.00 O ATOM 167 CB SER A 11 63.018 -8.093 -3.011 1.00 0.00 C ATOM 168 OG SER A 11 61.671 -7.695 -3.213 1.00 0.00 O ATOM 0 H SER A 11 65.439 -8.677 -3.156 1.00 0.00 H new ATOM 0 HA SER A 11 63.377 -8.151 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 11 63.054 -9.161 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 11 63.422 -7.580 -2.138 1.00 0.00 H new ATOM 0 HG SER A 11 61.144 -7.907 -2.415 1.00 0.00 H new ATOM 174 N TYR A 12 65.176 -5.760 -3.824 1.00 0.00 N ATOM 175 CA TYR A 12 65.500 -4.345 -3.961 1.00 0.00 C ATOM 176 C TYR A 12 66.600 -4.148 -5.005 1.00 0.00 C ATOM 177 O TYR A 12 67.669 -4.756 -4.914 1.00 0.00 O ATOM 178 CB TYR A 12 65.940 -3.756 -2.620 1.00 0.00 C ATOM 179 CG TYR A 12 64.889 -3.847 -1.536 1.00 0.00 C ATOM 180 CD1 TYR A 12 63.729 -3.087 -1.599 1.00 0.00 C ATOM 181 CD2 TYR A 12 65.057 -4.696 -0.450 1.00 0.00 C ATOM 182 CE1 TYR A 12 62.767 -3.170 -0.610 1.00 0.00 C ATOM 183 CE2 TYR A 12 64.101 -4.785 0.541 1.00 0.00 C ATOM 184 CZ TYR A 12 62.958 -4.020 0.457 1.00 0.00 C ATOM 185 OH TYR A 12 62.005 -4.109 1.443 1.00 0.00 O ATOM 0 H TYR A 12 65.842 -6.296 -3.268 1.00 0.00 H new ATOM 0 HA TYR A 12 64.602 -3.823 -4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 12 66.839 -4.273 -2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 12 66.209 -2.710 -2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 12 63.576 -2.420 -2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 12 65.952 -5.297 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 12 61.870 -2.572 -0.673 1.00 0.00 H new ATOM 0 HE2 TYR A 12 64.248 -5.451 1.378 1.00 0.00 H new ATOM 0 HH TYR A 12 62.295 -4.755 2.121 1.00 0.00 H new ATOM 195 N PRO A 13 66.345 -3.307 -6.018 1.00 0.00 N ATOM 196 CA PRO A 13 67.295 -3.053 -7.106 1.00 0.00 C ATOM 197 C PRO A 13 68.404 -2.069 -6.724 1.00 0.00 C ATOM 198 O PRO A 13 68.380 -1.468 -5.648 1.00 0.00 O ATOM 199 CB PRO A 13 66.409 -2.453 -8.194 1.00 0.00 C ATOM 200 CG PRO A 13 65.322 -1.753 -7.455 1.00 0.00 C ATOM 201 CD PRO A 13 65.091 -2.545 -6.193 1.00 0.00 C ATOM 0 HA PRO A 13 67.825 -3.960 -7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.969 -1.761 -8.823 1.00 0.00 H new ATOM 0 HB3 PRO A 13 66.008 -3.226 -8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 13 65.607 -0.727 -7.223 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.413 -1.703 -8.055 1.00 0.00 H new ATOM 0 HD2 PRO A 13 64.898 -1.893 -5.341 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.231 -3.208 -6.289 1.00 0.00 H new ATOM 209 N VAL A 14 69.379 -1.918 -7.618 1.00 0.00 N ATOM 210 CA VAL A 14 70.453 -0.952 -7.434 1.00 0.00 C ATOM 211 C VAL A 14 69.951 0.445 -7.787 1.00 0.00 C ATOM 212 O VAL A 14 69.176 0.610 -8.732 1.00 0.00 O ATOM 213 CB VAL A 14 71.686 -1.303 -8.307 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.740 -0.205 -8.249 1.00 0.00 C ATOM 215 CG2 VAL A 14 72.290 -2.628 -7.868 1.00 0.00 C ATOM 0 H VAL A 14 69.445 -2.457 -8.481 1.00 0.00 H new ATOM 0 HA VAL A 14 70.761 -0.981 -6.389 1.00 0.00 H new ATOM 0 HB VAL A 14 71.345 -1.391 -9.338 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.590 -0.483 -8.872 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.313 0.729 -8.614 1.00 0.00 H new ATOM 0 HG13 VAL A 14 73.072 -0.074 -7.219 1.00 0.00 H new ATOM 0 HG21 VAL A 14 73.154 -2.858 -8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 14 72.603 -2.558 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 14 71.547 -3.419 -7.971 1.00 0.00 H new ATOM 225 N GLY A 15 70.374 1.435 -7.017 1.00 0.00 N ATOM 226 CA GLY A 15 69.927 2.792 -7.246 1.00 0.00 C ATOM 227 C GLY A 15 68.736 3.142 -6.384 1.00 0.00 C ATOM 228 O GLY A 15 68.155 4.219 -6.513 1.00 0.00 O ATOM 0 H GLY A 15 71.020 1.322 -6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.743 3.484 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.665 2.916 -8.297 1.00 0.00 H new ATOM 232 N LEU A 16 68.371 2.225 -5.503 1.00 0.00 N ATOM 233 CA LEU A 16 67.249 2.439 -4.609 1.00 0.00 C ATOM 234 C LEU A 16 67.741 2.990 -3.278 1.00 0.00 C ATOM 235 O LEU A 16 68.699 2.470 -2.698 1.00 0.00 O ATOM 236 CB LEU A 16 66.486 1.132 -4.383 1.00 0.00 C ATOM 237 CG LEU A 16 65.210 1.269 -3.551 1.00 0.00 C ATOM 238 CD1 LEU A 16 64.180 2.110 -4.283 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.642 -0.095 -3.220 1.00 0.00 C ATOM 0 H LEU A 16 68.837 1.325 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 16 66.574 3.161 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 16 66.227 0.707 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 16 67.149 0.421 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 16 65.463 1.773 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.280 2.195 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.587 3.104 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.932 1.636 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.735 0.023 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 16 64.407 -0.625 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 16 65.375 -0.666 -2.651 1.00 0.00 H new ATOM 251 N ALA A 17 67.101 4.052 -2.816 1.00 0.00 N ATOM 252 CA ALA A 17 67.439 4.654 -1.539 1.00 0.00 C ATOM 253 C ALA A 17 66.644 3.992 -0.421 1.00 0.00 C ATOM 254 O ALA A 17 65.418 3.904 -0.488 1.00 0.00 O ATOM 255 CB ALA A 17 67.181 6.154 -1.575 1.00 0.00 C ATOM 0 H ALA A 17 66.340 4.517 -3.311 1.00 0.00 H new ATOM 0 HA ALA A 17 68.500 4.498 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.439 6.591 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.791 6.610 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 17 66.127 6.337 -1.786 1.00 0.00 H new ATOM 261 N VAL A 18 67.344 3.514 0.594 1.00 0.00 N ATOM 262 CA VAL A 18 66.711 2.811 1.698 1.00 0.00 C ATOM 263 C VAL A 18 67.223 3.342 3.032 1.00 0.00 C ATOM 264 O VAL A 18 68.324 3.888 3.109 1.00 0.00 O ATOM 265 CB VAL A 18 66.973 1.287 1.627 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.342 0.683 0.380 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.469 0.994 1.664 1.00 0.00 C ATOM 0 H VAL A 18 68.357 3.601 0.677 1.00 0.00 H new ATOM 0 HA VAL A 18 65.638 2.985 1.618 1.00 0.00 H new ATOM 0 HB VAL A 18 66.510 0.826 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.541 -0.388 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.265 0.852 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.768 1.152 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.630 -0.083 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.955 1.474 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 18 68.893 1.381 2.591 1.00 0.00 H new ATOM 277 N GLU A 19 66.418 3.206 4.071 1.00 0.00 N ATOM 278 CA GLU A 19 66.847 3.579 5.404 1.00 0.00 C ATOM 279 C GLU A 19 67.135 2.329 6.224 1.00 0.00 C ATOM 280 O GLU A 19 66.449 1.309 6.094 1.00 0.00 O ATOM 281 CB GLU A 19 65.806 4.467 6.094 1.00 0.00 C ATOM 282 CG GLU A 19 64.453 3.809 6.301 1.00 0.00 C ATOM 283 CD GLU A 19 63.438 4.775 6.875 1.00 0.00 C ATOM 284 OE1 GLU A 19 63.806 5.571 7.769 1.00 0.00 O ATOM 285 OE2 GLU A 19 62.275 4.766 6.425 1.00 0.00 O ATOM 0 H GLU A 19 65.467 2.841 4.016 1.00 0.00 H new ATOM 0 HA GLU A 19 67.765 4.161 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.197 4.777 7.063 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.669 5.372 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.088 3.422 5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.563 2.956 6.971 1.00 0.00 H new ATOM 292 N ILE A 20 68.166 2.409 7.047 1.00 0.00 N ATOM 293 CA ILE A 20 68.607 1.274 7.836 1.00 0.00 C ATOM 294 C ILE A 20 67.937 1.282 9.204 1.00 0.00 C ATOM 295 O ILE A 20 68.129 2.211 9.991 1.00 0.00 O ATOM 296 CB ILE A 20 70.147 1.263 8.025 1.00 0.00 C ATOM 297 CG1 ILE A 20 70.875 1.130 6.680 1.00 0.00 C ATOM 298 CG2 ILE A 20 70.566 0.134 8.954 1.00 0.00 C ATOM 299 CD1 ILE A 20 70.972 2.419 5.892 1.00 0.00 C ATOM 0 H ILE A 20 68.717 3.256 7.186 1.00 0.00 H new ATOM 0 HA ILE A 20 68.321 0.376 7.288 1.00 0.00 H new ATOM 0 HB ILE A 20 70.428 2.216 8.474 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.881 0.752 6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 20 70.359 0.385 6.074 1.00 0.00 H new ATOM 0 HG21 ILE A 20 71.649 0.144 9.073 1.00 0.00 H new ATOM 0 HG22 ILE A 20 70.093 0.269 9.927 1.00 0.00 H new ATOM 0 HG23 ILE A 20 70.257 -0.821 8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.500 2.235 4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 20 69.970 2.790 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.516 3.162 6.475 1.00 0.00 H new ATOM 311 N ASN A 21 67.150 0.249 9.478 1.00 0.00 N ATOM 312 CA ASN A 21 66.481 0.111 10.769 1.00 0.00 C ATOM 313 C ASN A 21 67.491 -0.265 11.846 1.00 0.00 C ATOM 314 O ASN A 21 68.535 -0.849 11.548 1.00 0.00 O ATOM 315 CB ASN A 21 65.376 -0.950 10.694 1.00 0.00 C ATOM 316 CG ASN A 21 64.232 -0.546 9.782 1.00 0.00 C ATOM 317 OD1 ASN A 21 63.264 0.079 10.218 1.00 0.00 O ATOM 318 ND2 ASN A 21 64.332 -0.905 8.513 1.00 0.00 N ATOM 0 H ASN A 21 66.958 -0.508 8.822 1.00 0.00 H new ATOM 0 HA ASN A 21 66.027 1.068 11.025 1.00 0.00 H new ATOM 0 HB2 ASN A 21 65.803 -1.888 10.339 1.00 0.00 H new ATOM 0 HB3 ASN A 21 64.988 -1.135 11.696 1.00 0.00 H new ATOM 0 HD21 ASN A 21 63.590 -0.665 7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 21 65.151 -1.422 8.192 1.00 0.00 H new ATOM 325 N ASN A 22 67.170 0.030 13.102 1.00 0.00 N ATOM 326 CA ASN A 22 68.092 -0.233 14.214 1.00 0.00 C ATOM 327 C ASN A 22 68.101 -1.710 14.598 1.00 0.00 C ATOM 328 O ASN A 22 68.484 -2.082 15.704 1.00 0.00 O ATOM 329 CB ASN A 22 67.755 0.638 15.436 1.00 0.00 C ATOM 330 CG ASN A 22 66.408 0.313 16.055 1.00 0.00 C ATOM 331 OD1 ASN A 22 65.383 0.871 15.664 1.00 0.00 O ATOM 332 ND2 ASN A 22 66.400 -0.584 17.026 1.00 0.00 N ATOM 0 H ASN A 22 66.283 0.450 13.380 1.00 0.00 H new ATOM 0 HA ASN A 22 69.092 0.031 13.871 1.00 0.00 H new ATOM 0 HB2 ASN A 22 68.533 0.511 16.189 1.00 0.00 H new ATOM 0 HB3 ASN A 22 67.767 1.687 15.140 1.00 0.00 H new ATOM 0 HD21 ASN A 22 65.522 -0.836 17.480 1.00 0.00 H new ATOM 0 HD22 ASN A 22 67.272 -1.024 17.321 1.00 0.00 H new ATOM 339 N ASN A 23 67.726 -2.540 13.651 1.00 0.00 N ATOM 340 CA ASN A 23 67.723 -3.982 13.845 1.00 0.00 C ATOM 341 C ASN A 23 69.024 -4.564 13.304 1.00 0.00 C ATOM 342 O ASN A 23 69.406 -5.687 13.624 1.00 0.00 O ATOM 343 CB ASN A 23 66.511 -4.617 13.148 1.00 0.00 C ATOM 344 CG ASN A 23 66.297 -6.071 13.540 1.00 0.00 C ATOM 345 OD1 ASN A 23 65.652 -6.365 14.546 1.00 0.00 O ATOM 346 ND2 ASN A 23 66.805 -6.990 12.733 1.00 0.00 N ATOM 0 H ASN A 23 67.415 -2.242 12.727 1.00 0.00 H new ATOM 0 HA ASN A 23 67.648 -4.203 14.910 1.00 0.00 H new ATOM 0 HB2 ASN A 23 65.616 -4.045 13.393 1.00 0.00 H new ATOM 0 HB3 ASN A 23 66.645 -4.553 12.068 1.00 0.00 H new ATOM 0 HD21 ASN A 23 66.667 -7.980 12.936 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.334 -6.708 11.908 1.00 0.00 H new ATOM 353 N ALA A 24 69.723 -3.760 12.504 1.00 0.00 N ATOM 354 CA ALA A 24 70.996 -4.161 11.909 1.00 0.00 C ATOM 355 C ALA A 24 72.156 -3.867 12.861 1.00 0.00 C ATOM 356 O ALA A 24 73.280 -3.598 12.434 1.00 0.00 O ATOM 357 CB ALA A 24 71.194 -3.437 10.588 1.00 0.00 C ATOM 0 H ALA A 24 69.425 -2.818 12.251 1.00 0.00 H new ATOM 0 HA ALA A 24 70.976 -5.235 11.726 1.00 0.00 H new ATOM 0 HB1 ALA A 24 72.144 -3.738 10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 24 70.381 -3.692 9.908 1.00 0.00 H new ATOM 0 HB3 ALA A 24 71.199 -2.361 10.760 1.00 0.00 H new ATOM 363 N ARG A 25 71.866 -3.947 14.152 1.00 0.00 N ATOM 364 CA ARG A 25 72.839 -3.667 15.206 1.00 0.00 C ATOM 365 C ARG A 25 74.047 -4.606 15.116 1.00 0.00 C ATOM 366 O ARG A 25 75.149 -4.258 15.540 1.00 0.00 O ATOM 367 CB ARG A 25 72.158 -3.818 16.569 1.00 0.00 C ATOM 368 CG ARG A 25 72.937 -3.233 17.736 1.00 0.00 C ATOM 369 CD ARG A 25 72.208 -3.473 19.048 1.00 0.00 C ATOM 370 NE ARG A 25 72.795 -2.722 20.155 1.00 0.00 N ATOM 371 CZ ARG A 25 72.714 -3.093 21.430 1.00 0.00 C ATOM 372 NH1 ARG A 25 72.152 -4.251 21.757 1.00 0.00 N ATOM 373 NH2 ARG A 25 73.211 -2.311 22.375 1.00 0.00 N ATOM 0 H ARG A 25 70.945 -4.209 14.503 1.00 0.00 H new ATOM 0 HA ARG A 25 73.203 -2.647 15.081 1.00 0.00 H new ATOM 0 HB2 ARG A 25 71.180 -3.339 16.526 1.00 0.00 H new ATOM 0 HB3 ARG A 25 71.986 -4.878 16.759 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.929 -3.683 17.779 1.00 0.00 H new ATOM 0 HG3 ARG A 25 73.079 -2.163 17.584 1.00 0.00 H new ATOM 0 HD2 ARG A 25 71.161 -3.191 18.936 1.00 0.00 H new ATOM 0 HD3 ARG A 25 72.228 -4.537 19.283 1.00 0.00 H new ATOM 0 HE ARG A 25 73.297 -1.861 19.937 1.00 0.00 H new ATOM 0 HH11 ARG A 25 71.780 -4.861 21.029 1.00 0.00 H new ATOM 0 HH12 ARG A 25 72.093 -4.531 22.736 1.00 0.00 H new ATOM 0 HH21 ARG A 25 73.654 -1.427 22.125 1.00 0.00 H new ATOM 0 HH22 ARG A 25 73.151 -2.592 23.354 1.00 0.00 H new ATOM 387 N TYR A 26 73.837 -5.791 14.553 1.00 0.00 N ATOM 388 CA TYR A 26 74.898 -6.787 14.463 1.00 0.00 C ATOM 389 C TYR A 26 75.680 -6.641 13.165 1.00 0.00 C ATOM 390 O TYR A 26 76.737 -7.247 12.999 1.00 0.00 O ATOM 391 CB TYR A 26 74.320 -8.198 14.565 1.00 0.00 C ATOM 392 CG TYR A 26 73.590 -8.455 15.862 1.00 0.00 C ATOM 393 CD1 TYR A 26 74.288 -8.591 17.055 1.00 0.00 C ATOM 394 CD2 TYR A 26 72.206 -8.553 15.895 1.00 0.00 C ATOM 395 CE1 TYR A 26 73.626 -8.819 18.243 1.00 0.00 C ATOM 396 CE2 TYR A 26 71.537 -8.779 17.080 1.00 0.00 C ATOM 397 CZ TYR A 26 72.253 -8.912 18.250 1.00 0.00 C ATOM 398 OH TYR A 26 71.590 -9.135 19.430 1.00 0.00 O ATOM 0 H TYR A 26 72.945 -6.084 14.154 1.00 0.00 H new ATOM 0 HA TYR A 26 75.580 -6.621 15.297 1.00 0.00 H new ATOM 0 HB2 TYR A 26 73.636 -8.363 13.733 1.00 0.00 H new ATOM 0 HB3 TYR A 26 75.128 -8.922 14.462 1.00 0.00 H new ATOM 0 HD1 TYR A 26 75.365 -8.517 17.052 1.00 0.00 H new ATOM 0 HD2 TYR A 26 71.644 -8.451 14.978 1.00 0.00 H new ATOM 0 HE1 TYR A 26 74.182 -8.924 19.163 1.00 0.00 H new ATOM 0 HE2 TYR A 26 70.459 -8.851 17.091 1.00 0.00 H new ATOM 0 HH TYR A 26 70.625 -9.173 19.261 1.00 0.00 H new ATOM 408 N GLY A 27 75.155 -5.846 12.247 1.00 0.00 N ATOM 409 CA GLY A 27 75.850 -5.601 11.003 1.00 0.00 C ATOM 410 C GLY A 27 76.928 -4.559 11.182 1.00 0.00 C ATOM 411 O GLY A 27 78.110 -4.830 10.956 1.00 0.00 O ATOM 0 H GLY A 27 74.260 -5.366 12.341 1.00 0.00 H new ATOM 0 HA2 GLY A 27 76.293 -6.529 10.641 1.00 0.00 H new ATOM 0 HA3 GLY A 27 75.140 -5.269 10.245 1.00 0.00 H new ATOM 415 N CYS A 28 76.511 -3.381 11.633 1.00 0.00 N ATOM 416 CA CYS A 28 77.403 -2.260 11.876 1.00 0.00 C ATOM 417 C CYS A 28 76.666 -1.206 12.679 1.00 0.00 C ATOM 418 O CYS A 28 75.805 -0.498 12.154 1.00 0.00 O ATOM 419 CB CYS A 28 77.924 -1.642 10.571 1.00 0.00 C ATOM 420 SG CYS A 28 79.302 -2.538 9.813 1.00 0.00 S ATOM 0 H CYS A 28 75.533 -3.178 11.841 1.00 0.00 H new ATOM 0 HA CYS A 28 78.266 -2.630 12.429 1.00 0.00 H new ATOM 0 HB2 CYS A 28 77.103 -1.590 9.855 1.00 0.00 H new ATOM 0 HB3 CYS A 28 78.239 -0.617 10.769 1.00 0.00 H new ATOM 0 HG CYS A 28 79.270 -3.782 10.189 1.00 0.00 H new ATOM 426 N PRO A 29 76.958 -1.116 13.976 1.00 0.00 N ATOM 427 CA PRO A 29 76.357 -0.108 14.836 1.00 0.00 C ATOM 428 C PRO A 29 76.885 1.284 14.500 1.00 0.00 C ATOM 429 O PRO A 29 77.870 1.414 13.769 1.00 0.00 O ATOM 430 CB PRO A 29 76.776 -0.548 16.235 1.00 0.00 C ATOM 431 CG PRO A 29 78.049 -1.291 16.026 1.00 0.00 C ATOM 432 CD PRO A 29 77.898 -1.986 14.703 1.00 0.00 C ATOM 0 HA PRO A 29 75.275 -0.036 14.725 1.00 0.00 H new ATOM 0 HB2 PRO A 29 76.920 0.308 16.894 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.018 -1.181 16.696 1.00 0.00 H new ATOM 0 HG2 PRO A 29 78.902 -0.613 16.017 1.00 0.00 H new ATOM 0 HG3 PRO A 29 78.220 -2.008 16.828 1.00 0.00 H new ATOM 0 HD2 PRO A 29 78.852 -2.074 14.182 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.505 -2.996 14.820 1.00 0.00 H new ATOM 440 N HIS A 30 76.227 2.314 15.027 1.00 0.00 N ATOM 441 CA HIS A 30 76.533 3.705 14.673 1.00 0.00 C ATOM 442 C HIS A 30 76.224 3.948 13.200 1.00 0.00 C ATOM 443 O HIS A 30 76.778 4.844 12.570 1.00 0.00 O ATOM 444 CB HIS A 30 78.007 4.058 14.953 1.00 0.00 C ATOM 445 CG HIS A 30 78.439 3.888 16.378 1.00 0.00 C ATOM 446 ND1 HIS A 30 79.355 2.940 16.775 1.00 0.00 N ATOM 447 CD2 HIS A 30 78.101 4.568 17.497 1.00 0.00 C ATOM 448 CE1 HIS A 30 79.561 3.042 18.072 1.00 0.00 C ATOM 449 NE2 HIS A 30 78.814 4.023 18.536 1.00 0.00 N ATOM 0 H HIS A 30 75.472 2.214 15.706 1.00 0.00 H new ATOM 0 HA HIS A 30 75.908 4.346 15.295 1.00 0.00 H new ATOM 0 HB2 HIS A 30 78.640 3.436 14.320 1.00 0.00 H new ATOM 0 HB3 HIS A 30 78.180 5.093 14.658 1.00 0.00 H new ATOM 0 HD2 HIS A 30 77.400 5.387 17.561 1.00 0.00 H new ATOM 0 HE1 HIS A 30 80.229 2.426 18.656 1.00 0.00 H new ATOM 0 HE2 HIS A 30 78.772 4.328 19.508 1.00 0.00 H new ATOM 458 N HIS A 31 75.322 3.147 12.669 1.00 0.00 N ATOM 459 CA HIS A 31 74.958 3.222 11.258 1.00 0.00 C ATOM 460 C HIS A 31 73.462 2.938 11.089 1.00 0.00 C ATOM 461 O HIS A 31 72.948 2.871 9.978 1.00 0.00 O ATOM 462 CB HIS A 31 75.808 2.219 10.455 1.00 0.00 C ATOM 463 CG HIS A 31 75.822 2.443 8.968 1.00 0.00 C ATOM 464 ND1 HIS A 31 76.846 3.090 8.311 1.00 0.00 N ATOM 465 CD2 HIS A 31 74.944 2.073 8.008 1.00 0.00 C ATOM 466 CE1 HIS A 31 76.592 3.103 7.018 1.00 0.00 C ATOM 467 NE2 HIS A 31 75.444 2.495 6.804 1.00 0.00 N ATOM 0 H HIS A 31 74.821 2.430 13.194 1.00 0.00 H new ATOM 0 HA HIS A 31 75.156 4.225 10.879 1.00 0.00 H new ATOM 0 HB2 HIS A 31 76.833 2.259 10.823 1.00 0.00 H new ATOM 0 HB3 HIS A 31 75.438 1.213 10.652 1.00 0.00 H new ATOM 0 HD2 HIS A 31 74.017 1.541 8.162 1.00 0.00 H new ATOM 0 HE1 HIS A 31 77.222 3.541 6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 31 75.001 2.361 5.895 1.00 0.00 H new ATOM 476 N VAL A 32 72.763 2.793 12.208 1.00 0.00 N ATOM 477 CA VAL A 32 71.335 2.510 12.177 1.00 0.00 C ATOM 478 C VAL A 32 70.533 3.788 12.387 1.00 0.00 C ATOM 479 O VAL A 32 70.961 4.684 13.118 1.00 0.00 O ATOM 480 CB VAL A 32 70.938 1.452 13.227 1.00 0.00 C ATOM 481 CG1 VAL A 32 71.550 0.110 12.871 1.00 0.00 C ATOM 482 CG2 VAL A 32 71.370 1.871 14.625 1.00 0.00 C ATOM 0 H VAL A 32 73.161 2.866 13.144 1.00 0.00 H new ATOM 0 HA VAL A 32 71.104 2.103 11.193 1.00 0.00 H new ATOM 0 HB VAL A 32 69.852 1.364 13.223 1.00 0.00 H new ATOM 0 HG11 VAL A 32 71.264 -0.630 13.618 1.00 0.00 H new ATOM 0 HG12 VAL A 32 71.190 -0.206 11.892 1.00 0.00 H new ATOM 0 HG13 VAL A 32 72.636 0.200 12.847 1.00 0.00 H new ATOM 0 HG21 VAL A 32 71.076 1.104 15.342 1.00 0.00 H new ATOM 0 HG22 VAL A 32 72.453 1.994 14.650 1.00 0.00 H new ATOM 0 HG23 VAL A 32 70.891 2.815 14.886 1.00 0.00 H new ATOM 492 N GLY A 33 69.374 3.870 11.745 1.00 0.00 N ATOM 493 CA GLY A 33 68.622 5.110 11.734 1.00 0.00 C ATOM 494 C GLY A 33 69.199 6.065 10.713 1.00 0.00 C ATOM 495 O GLY A 33 69.158 7.285 10.882 1.00 0.00 O ATOM 0 H GLY A 33 68.942 3.101 11.233 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.576 4.907 11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 33 68.646 5.567 12.723 1.00 0.00 H new ATOM 499 N ARG A 34 69.739 5.490 9.649 1.00 0.00 N ATOM 500 CA ARG A 34 70.470 6.234 8.633 1.00 0.00 C ATOM 501 C ARG A 34 69.853 5.940 7.267 1.00 0.00 C ATOM 502 O ARG A 34 69.001 5.056 7.161 1.00 0.00 O ATOM 503 CB ARG A 34 71.932 5.784 8.674 1.00 0.00 C ATOM 504 CG ARG A 34 72.969 6.881 8.490 1.00 0.00 C ATOM 505 CD ARG A 34 74.347 6.331 8.812 1.00 0.00 C ATOM 506 NE ARG A 34 75.418 7.314 8.668 1.00 0.00 N ATOM 507 CZ ARG A 34 76.228 7.671 9.664 1.00 0.00 C ATOM 508 NH1 ARG A 34 75.948 7.317 10.913 1.00 0.00 N ATOM 509 NH2 ARG A 34 77.291 8.422 9.418 1.00 0.00 N ATOM 0 H ARG A 34 69.682 4.488 9.465 1.00 0.00 H new ATOM 0 HA ARG A 34 70.417 7.307 8.816 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.115 5.294 9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.083 5.034 7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 34 72.944 7.252 7.466 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.741 7.725 9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.348 5.952 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 34 74.553 5.484 8.158 1.00 0.00 H new ATOM 0 HE ARG A 34 75.553 7.751 7.756 1.00 0.00 H new ATOM 0 HH11 ARG A 34 75.111 6.770 11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 34 76.570 7.592 11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 34 77.490 8.728 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 34 77.910 8.695 10.181 1.00 0.00 H new ATOM 523 N LYS A 35 70.262 6.668 6.233 1.00 0.00 N ATOM 524 CA LYS A 35 69.733 6.436 4.891 1.00 0.00 C ATOM 525 C LYS A 35 70.877 6.247 3.911 1.00 0.00 C ATOM 526 O LYS A 35 71.844 7.013 3.918 1.00 0.00 O ATOM 527 CB LYS A 35 68.853 7.594 4.384 1.00 0.00 C ATOM 528 CG LYS A 35 68.160 8.418 5.460 1.00 0.00 C ATOM 529 CD LYS A 35 69.121 9.417 6.084 1.00 0.00 C ATOM 530 CE LYS A 35 68.396 10.522 6.830 1.00 0.00 C ATOM 531 NZ LYS A 35 69.356 11.444 7.489 1.00 0.00 N ATOM 0 H LYS A 35 70.951 7.417 6.295 1.00 0.00 H new ATOM 0 HA LYS A 35 69.114 5.541 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 35 69.473 8.261 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 35 68.092 7.184 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 35 67.310 8.946 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 35 67.765 7.757 6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 35 69.789 8.896 6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 35 69.743 9.855 5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 35 67.768 11.081 6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 35 67.734 10.086 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 68.949 12.400 7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 69.549 11.112 8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 70.244 11.466 6.947 1.00 0.00 H new ATOM 545 N GLY A 36 70.749 5.246 3.061 1.00 0.00 N ATOM 546 CA GLY A 36 71.767 4.981 2.076 1.00 0.00 C ATOM 547 C GLY A 36 71.172 4.512 0.771 1.00 0.00 C ATOM 548 O GLY A 36 69.955 4.409 0.639 1.00 0.00 O ATOM 0 H GLY A 36 69.953 4.609 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.352 5.885 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.453 4.224 2.456 1.00 0.00 H new ATOM 552 N LYS A 37 72.022 4.232 -0.198 1.00 0.00 N ATOM 553 CA LYS A 37 71.567 3.752 -1.488 1.00 0.00 C ATOM 554 C LYS A 37 72.259 2.446 -1.843 1.00 0.00 C ATOM 555 O LYS A 37 73.478 2.323 -1.706 1.00 0.00 O ATOM 556 CB LYS A 37 71.823 4.807 -2.567 1.00 0.00 C ATOM 557 CG LYS A 37 71.415 4.365 -3.963 1.00 0.00 C ATOM 558 CD LYS A 37 71.522 5.501 -4.969 1.00 0.00 C ATOM 559 CE LYS A 37 72.925 6.086 -5.021 1.00 0.00 C ATOM 560 NZ LYS A 37 73.041 7.141 -6.062 1.00 0.00 N ATOM 0 H LYS A 37 73.034 4.329 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 37 70.494 3.567 -1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.279 5.716 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.883 5.060 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 37 72.048 3.537 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.390 3.994 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 37 71.244 5.137 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 37 70.812 6.285 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 37 73.181 6.505 -4.048 1.00 0.00 H new ATOM 0 HE3 LYS A 37 73.643 5.292 -5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 74.011 7.517 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 72.821 6.735 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 72.373 7.910 -5.853 1.00 0.00 H new ATOM 574 N ILE A 38 71.474 1.472 -2.281 1.00 0.00 N ATOM 575 CA ILE A 38 72.007 0.185 -2.697 1.00 0.00 C ATOM 576 C ILE A 38 72.776 0.341 -4.002 1.00 0.00 C ATOM 577 O ILE A 38 72.202 0.704 -5.030 1.00 0.00 O ATOM 578 CB ILE A 38 70.880 -0.854 -2.886 1.00 0.00 C ATOM 579 CG1 ILE A 38 70.074 -1.002 -1.593 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.461 -2.197 -3.315 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.869 -1.909 -1.730 1.00 0.00 C ATOM 0 H ILE A 38 70.460 1.551 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 38 72.676 -0.171 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 38 70.210 -0.505 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.725 -1.393 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.741 -0.016 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.654 -2.918 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.995 -2.078 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 38 72.150 -2.556 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.346 -1.966 -0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 38 68.196 -1.508 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 38 69.196 -2.906 -2.025 1.00 0.00 H new ATOM 593 N ILE A 39 74.074 0.085 -3.953 1.00 0.00 N ATOM 594 CA ILE A 39 74.924 0.262 -5.122 1.00 0.00 C ATOM 595 C ILE A 39 75.323 -1.077 -5.727 1.00 0.00 C ATOM 596 O ILE A 39 75.613 -1.163 -6.918 1.00 0.00 O ATOM 597 CB ILE A 39 76.198 1.067 -4.783 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.934 0.436 -3.594 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.843 2.521 -4.492 1.00 0.00 C ATOM 600 CD1 ILE A 39 78.246 1.113 -3.263 1.00 0.00 C ATOM 0 H ILE A 39 74.561 -0.245 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 39 74.337 0.822 -5.851 1.00 0.00 H new ATOM 0 HB ILE A 39 76.865 1.043 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.287 0.470 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 39 77.122 -0.615 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.750 3.077 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 39 75.366 2.961 -5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 39 75.158 2.566 -3.645 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.709 0.613 -2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.912 1.056 -4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 39 78.063 2.158 -3.014 1.00 0.00 H new ATOM 612 N GLU A 40 75.323 -2.118 -4.905 1.00 0.00 N ATOM 613 CA GLU A 40 75.761 -3.438 -5.339 1.00 0.00 C ATOM 614 C GLU A 40 74.820 -4.525 -4.838 1.00 0.00 C ATOM 615 O GLU A 40 74.174 -4.377 -3.797 1.00 0.00 O ATOM 616 CB GLU A 40 77.181 -3.719 -4.839 1.00 0.00 C ATOM 617 CG GLU A 40 78.267 -3.017 -5.633 1.00 0.00 C ATOM 618 CD GLU A 40 78.510 -3.660 -6.985 1.00 0.00 C ATOM 619 OE1 GLU A 40 77.835 -3.284 -7.966 1.00 0.00 O ATOM 620 OE2 GLU A 40 79.384 -4.548 -7.075 1.00 0.00 O ATOM 0 H GLU A 40 75.024 -2.073 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 40 75.751 -3.448 -6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.254 -3.414 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 40 77.360 -4.794 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 40 77.990 -1.973 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 40 79.194 -3.025 -5.059 1.00 0.00 H new ATOM 627 N HIS A 41 74.740 -5.611 -5.593 1.00 0.00 N ATOM 628 CA HIS A 41 73.968 -6.777 -5.186 1.00 0.00 C ATOM 629 C HIS A 41 74.902 -7.903 -4.775 1.00 0.00 C ATOM 630 O HIS A 41 75.791 -8.289 -5.534 1.00 0.00 O ATOM 631 CB HIS A 41 73.053 -7.249 -6.318 1.00 0.00 C ATOM 632 CG HIS A 41 71.801 -6.443 -6.461 1.00 0.00 C ATOM 633 ND1 HIS A 41 71.301 -6.030 -7.674 1.00 0.00 N ATOM 634 CD2 HIS A 41 70.925 -6.007 -5.528 1.00 0.00 C ATOM 635 CE1 HIS A 41 70.169 -5.379 -7.484 1.00 0.00 C ATOM 636 NE2 HIS A 41 69.919 -5.350 -6.187 1.00 0.00 N ATOM 0 H HIS A 41 75.203 -5.709 -6.496 1.00 0.00 H new ATOM 0 HA HIS A 41 73.347 -6.494 -4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.605 -7.214 -7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.785 -8.291 -6.145 1.00 0.00 H new ATOM 0 HD2 HIS A 41 71.004 -6.150 -4.460 1.00 0.00 H new ATOM 0 HE1 HIS A 41 69.552 -4.944 -8.257 1.00 0.00 H new ATOM 0 HE2 HIS A 41 69.110 -4.911 -5.748 1.00 0.00 H new ATOM 645 N LEU A 42 74.704 -8.432 -3.579 1.00 0.00 N ATOM 646 CA LEU A 42 75.567 -9.479 -3.066 1.00 0.00 C ATOM 647 C LEU A 42 74.897 -10.839 -3.191 1.00 0.00 C ATOM 648 O LEU A 42 73.703 -10.978 -2.940 1.00 0.00 O ATOM 649 CB LEU A 42 75.913 -9.211 -1.600 1.00 0.00 C ATOM 650 CG LEU A 42 76.625 -7.883 -1.320 1.00 0.00 C ATOM 651 CD1 LEU A 42 76.880 -7.725 0.168 1.00 0.00 C ATOM 652 CD2 LEU A 42 77.931 -7.798 -2.099 1.00 0.00 C ATOM 0 H LEU A 42 73.954 -8.153 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 42 76.483 -9.482 -3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.992 -9.239 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.544 -10.024 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 42 75.979 -7.069 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.386 -6.777 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.931 -7.739 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.507 -8.545 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.421 -6.848 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.585 -8.618 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.723 -7.868 -3.167 1.00 0.00 H new ATOM 664 N HIS A 43 75.672 -11.841 -3.570 1.00 0.00 N ATOM 665 CA HIS A 43 75.163 -13.204 -3.648 1.00 0.00 C ATOM 666 C HIS A 43 75.627 -13.979 -2.421 1.00 0.00 C ATOM 667 O HIS A 43 75.898 -15.178 -2.474 1.00 0.00 O ATOM 668 CB HIS A 43 75.597 -13.900 -4.951 1.00 0.00 C ATOM 669 CG HIS A 43 77.077 -13.938 -5.187 1.00 0.00 C ATOM 670 ND1 HIS A 43 77.890 -14.953 -4.738 1.00 0.00 N ATOM 671 CD2 HIS A 43 77.884 -13.078 -5.849 1.00 0.00 C ATOM 672 CE1 HIS A 43 79.133 -14.716 -5.110 1.00 0.00 C ATOM 673 NE2 HIS A 43 79.157 -13.583 -5.786 1.00 0.00 N ATOM 0 H HIS A 43 76.654 -11.739 -3.828 1.00 0.00 H new ATOM 0 HA HIS A 43 74.073 -13.175 -3.663 1.00 0.00 H new ATOM 0 HB2 HIS A 43 75.219 -14.922 -4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 43 75.123 -13.393 -5.791 1.00 0.00 H new ATOM 0 HD2 HIS A 43 77.582 -12.163 -6.337 1.00 0.00 H new ATOM 0 HE1 HIS A 43 79.986 -15.343 -4.897 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.987 -13.153 -6.195 1.00 0.00 H new ATOM 682 N SER A 44 75.707 -13.262 -1.312 1.00 0.00 N ATOM 683 CA SER A 44 76.087 -13.836 -0.036 1.00 0.00 C ATOM 684 C SER A 44 74.880 -14.511 0.606 1.00 0.00 C ATOM 685 O SER A 44 73.767 -14.448 0.079 1.00 0.00 O ATOM 686 CB SER A 44 76.638 -12.731 0.879 1.00 0.00 C ATOM 687 OG SER A 44 76.962 -13.223 2.170 1.00 0.00 O ATOM 0 H SER A 44 75.509 -12.262 -1.274 1.00 0.00 H new ATOM 0 HA SER A 44 76.863 -14.586 -0.188 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.527 -12.293 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 44 75.900 -11.934 0.969 1.00 0.00 H new ATOM 0 HG SER A 44 77.310 -12.491 2.721 1.00 0.00 H new ATOM 693 N ALA A 45 75.100 -15.153 1.739 1.00 0.00 N ATOM 694 CA ALA A 45 74.020 -15.759 2.493 1.00 0.00 C ATOM 695 C ALA A 45 73.874 -14.997 3.791 1.00 0.00 C ATOM 696 O ALA A 45 73.022 -15.286 4.629 1.00 0.00 O ATOM 697 CB ALA A 45 74.304 -17.230 2.753 1.00 0.00 C ATOM 0 H ALA A 45 76.023 -15.268 2.158 1.00 0.00 H new ATOM 0 HA ALA A 45 73.090 -15.708 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.481 -17.665 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 45 74.407 -17.754 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 45 75.228 -17.327 3.323 1.00 0.00 H new ATOM 703 N THR A 46 74.735 -14.002 3.930 1.00 0.00 N ATOM 704 CA THR A 46 74.796 -13.192 5.121 1.00 0.00 C ATOM 705 C THR A 46 74.220 -11.800 4.856 1.00 0.00 C ATOM 706 O THR A 46 73.552 -11.226 5.715 1.00 0.00 O ATOM 707 CB THR A 46 76.255 -13.089 5.597 1.00 0.00 C ATOM 708 OG1 THR A 46 76.842 -14.398 5.617 1.00 0.00 O ATOM 709 CG2 THR A 46 76.335 -12.484 6.981 1.00 0.00 C ATOM 0 H THR A 46 75.411 -13.738 3.213 1.00 0.00 H new ATOM 0 HA THR A 46 74.197 -13.662 5.901 1.00 0.00 H new ATOM 0 HB THR A 46 76.797 -12.443 4.906 1.00 0.00 H new ATOM 0 HG1 THR A 46 77.772 -14.335 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 46 77.378 -12.423 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 46 75.902 -11.484 6.966 1.00 0.00 H new ATOM 0 HG23 THR A 46 75.783 -13.108 7.683 1.00 0.00 H new ATOM 717 N TYR A 47 74.464 -11.273 3.659 1.00 0.00 N ATOM 718 CA TYR A 47 73.969 -9.951 3.282 1.00 0.00 C ATOM 719 C TYR A 47 73.447 -9.959 1.854 1.00 0.00 C ATOM 720 O TYR A 47 74.021 -10.605 0.981 1.00 0.00 O ATOM 721 CB TYR A 47 75.068 -8.898 3.430 1.00 0.00 C ATOM 722 CG TYR A 47 75.525 -8.697 4.856 1.00 0.00 C ATOM 723 CD1 TYR A 47 74.664 -8.168 5.810 1.00 0.00 C ATOM 724 CD2 TYR A 47 76.811 -9.039 5.251 1.00 0.00 C ATOM 725 CE1 TYR A 47 75.075 -7.983 7.116 1.00 0.00 C ATOM 726 CE2 TYR A 47 77.228 -8.858 6.555 1.00 0.00 C ATOM 727 CZ TYR A 47 76.357 -8.329 7.482 1.00 0.00 C ATOM 728 OH TYR A 47 76.771 -8.146 8.782 1.00 0.00 O ATOM 0 H TYR A 47 75.003 -11.742 2.931 1.00 0.00 H new ATOM 0 HA TYR A 47 73.149 -9.697 3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 47 75.924 -9.190 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 47 74.705 -7.949 3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 47 73.658 -7.897 5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 47 77.497 -9.453 4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 47 74.395 -7.569 7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 47 78.232 -9.130 6.847 1.00 0.00 H new ATOM 0 HH TYR A 47 77.701 -8.442 8.874 1.00 0.00 H new ATOM 738 N ASP A 48 72.352 -9.241 1.634 1.00 0.00 N ATOM 739 CA ASP A 48 71.728 -9.166 0.318 1.00 0.00 C ATOM 740 C ASP A 48 72.331 -8.032 -0.503 1.00 0.00 C ATOM 741 O ASP A 48 72.577 -8.176 -1.703 1.00 0.00 O ATOM 742 CB ASP A 48 70.215 -8.918 0.437 1.00 0.00 C ATOM 743 CG ASP A 48 69.433 -10.070 1.042 1.00 0.00 C ATOM 744 OD1 ASP A 48 69.047 -10.992 0.296 1.00 0.00 O ATOM 745 OD2 ASP A 48 69.161 -10.030 2.260 1.00 0.00 O ATOM 0 H ASP A 48 71.875 -8.699 2.355 1.00 0.00 H new ATOM 0 HA ASP A 48 71.907 -10.121 -0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.052 -8.027 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 48 69.816 -8.706 -0.555 1.00 0.00 H new ATOM 750 N TYR A 49 72.572 -6.898 0.147 1.00 0.00 N ATOM 751 CA TYR A 49 72.903 -5.672 -0.578 1.00 0.00 C ATOM 752 C TYR A 49 74.081 -4.935 0.042 1.00 0.00 C ATOM 753 O TYR A 49 74.453 -5.173 1.191 1.00 0.00 O ATOM 754 CB TYR A 49 71.696 -4.726 -0.605 1.00 0.00 C ATOM 755 CG TYR A 49 70.387 -5.401 -0.946 1.00 0.00 C ATOM 756 CD1 TYR A 49 70.175 -5.963 -2.199 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.368 -5.482 -0.009 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.984 -6.590 -2.506 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.175 -6.106 -0.310 1.00 0.00 C ATOM 760 CZ TYR A 49 67.988 -6.659 -1.559 1.00 0.00 C ATOM 761 OH TYR A 49 66.797 -7.283 -1.859 1.00 0.00 O ATOM 0 H TYR A 49 72.546 -6.800 1.162 1.00 0.00 H new ATOM 0 HA TYR A 49 73.176 -5.972 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.602 -4.247 0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.884 -3.936 -1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 49 70.954 -5.908 -2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 49 69.510 -5.050 0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 49 68.835 -7.024 -3.484 1.00 0.00 H new ATOM 0 HE2 TYR A 49 67.390 -6.161 0.430 1.00 0.00 H new ATOM 0 HH TYR A 49 66.060 -6.808 -1.421 1.00 0.00 H new ATOM 771 N ALA A 50 74.653 -4.028 -0.741 1.00 0.00 N ATOM 772 CA ALA A 50 75.686 -3.123 -0.264 1.00 0.00 C ATOM 773 C ALA A 50 75.160 -1.696 -0.306 1.00 0.00 C ATOM 774 O ALA A 50 74.841 -1.175 -1.380 1.00 0.00 O ATOM 775 CB ALA A 50 76.943 -3.250 -1.108 1.00 0.00 C ATOM 0 H ALA A 50 74.412 -3.901 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 50 75.944 -3.384 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.703 -2.564 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.317 -4.272 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.712 -3.005 -2.145 1.00 0.00 H new ATOM 781 N VAL A 51 75.052 -1.077 0.860 1.00 0.00 N ATOM 782 CA VAL A 51 74.431 0.234 0.976 1.00 0.00 C ATOM 783 C VAL A 51 75.470 1.319 1.231 1.00 0.00 C ATOM 784 O VAL A 51 76.261 1.225 2.168 1.00 0.00 O ATOM 785 CB VAL A 51 73.383 0.244 2.112 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.718 1.606 2.233 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.342 -0.841 1.881 1.00 0.00 C ATOM 0 H VAL A 51 75.388 -1.463 1.742 1.00 0.00 H new ATOM 0 HA VAL A 51 73.935 0.444 0.028 1.00 0.00 H new ATOM 0 HB VAL A 51 73.899 0.039 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.986 1.583 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.473 2.362 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.218 1.851 1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.611 -0.822 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.838 -0.665 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.831 -1.815 1.857 1.00 0.00 H new ATOM 797 N SER A 52 75.476 2.327 0.368 1.00 0.00 N ATOM 798 CA SER A 52 76.323 3.497 0.551 1.00 0.00 C ATOM 799 C SER A 52 75.485 4.637 1.120 1.00 0.00 C ATOM 800 O SER A 52 74.610 5.173 0.434 1.00 0.00 O ATOM 801 CB SER A 52 76.951 3.913 -0.784 1.00 0.00 C ATOM 802 OG SER A 52 77.810 5.032 -0.632 1.00 0.00 O ATOM 0 H SER A 52 74.898 2.356 -0.472 1.00 0.00 H new ATOM 0 HA SER A 52 77.128 3.257 1.246 1.00 0.00 H new ATOM 0 HB2 SER A 52 77.513 3.076 -1.199 1.00 0.00 H new ATOM 0 HB3 SER A 52 76.163 4.153 -1.498 1.00 0.00 H new ATOM 0 HG SER A 52 78.195 5.270 -1.502 1.00 0.00 H new ATOM 808 N ASP A 53 75.744 5.000 2.368 1.00 0.00 N ATOM 809 CA ASP A 53 74.918 5.983 3.062 1.00 0.00 C ATOM 810 C ASP A 53 75.251 7.408 2.647 1.00 0.00 C ATOM 811 O ASP A 53 76.215 7.652 1.916 1.00 0.00 O ATOM 812 CB ASP A 53 75.065 5.836 4.575 1.00 0.00 C ATOM 813 CG ASP A 53 74.216 4.712 5.130 1.00 0.00 C ATOM 814 OD1 ASP A 53 74.386 3.554 4.692 1.00 0.00 O ATOM 815 OD2 ASP A 53 73.403 4.975 6.036 1.00 0.00 O ATOM 0 H ASP A 53 76.517 4.631 2.921 1.00 0.00 H new ATOM 0 HA ASP A 53 73.884 5.787 2.778 1.00 0.00 H new ATOM 0 HB2 ASP A 53 76.111 5.653 4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.784 6.772 5.057 1.00 0.00 H new ATOM 820 N GLU A 54 74.440 8.345 3.133 1.00 0.00 N ATOM 821 CA GLU A 54 74.606 9.766 2.835 1.00 0.00 C ATOM 822 C GLU A 54 75.979 10.271 3.262 1.00 0.00 C ATOM 823 O GLU A 54 76.522 11.199 2.666 1.00 0.00 O ATOM 824 CB GLU A 54 73.523 10.587 3.546 1.00 0.00 C ATOM 825 CG GLU A 54 73.464 10.347 5.049 1.00 0.00 C ATOM 826 CD GLU A 54 72.648 11.392 5.788 1.00 0.00 C ATOM 827 OE1 GLU A 54 71.409 11.417 5.630 1.00 0.00 O ATOM 828 OE2 GLU A 54 73.245 12.197 6.532 1.00 0.00 O ATOM 0 H GLU A 54 73.649 8.141 3.744 1.00 0.00 H new ATOM 0 HA GLU A 54 74.513 9.886 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.703 11.646 3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.553 10.348 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 54 73.037 9.362 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 54 74.478 10.337 5.449 1.00 0.00 H new ATOM 835 N THR A 55 76.536 9.652 4.286 1.00 0.00 N ATOM 836 CA THR A 55 77.781 10.107 4.865 1.00 0.00 C ATOM 837 C THR A 55 79.001 9.560 4.124 1.00 0.00 C ATOM 838 O THR A 55 80.132 9.928 4.432 1.00 0.00 O ATOM 839 CB THR A 55 77.840 9.726 6.347 1.00 0.00 C ATOM 840 OG1 THR A 55 77.123 8.499 6.560 1.00 0.00 O ATOM 841 CG2 THR A 55 77.239 10.825 7.207 1.00 0.00 C ATOM 0 H THR A 55 76.140 8.826 4.735 1.00 0.00 H new ATOM 0 HA THR A 55 77.809 11.192 4.768 1.00 0.00 H new ATOM 0 HB THR A 55 78.884 9.594 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 55 77.616 7.757 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 55 77.290 10.535 8.256 1.00 0.00 H new ATOM 0 HG22 THR A 55 77.797 11.750 7.058 1.00 0.00 H new ATOM 0 HG23 THR A 55 76.198 10.980 6.924 1.00 0.00 H new ATOM 849 N GLY A 56 78.769 8.670 3.161 1.00 0.00 N ATOM 850 CA GLY A 56 79.843 8.213 2.300 1.00 0.00 C ATOM 851 C GLY A 56 80.381 6.856 2.696 1.00 0.00 C ATOM 852 O GLY A 56 81.191 6.269 1.979 1.00 0.00 O ATOM 0 H GLY A 56 77.857 8.259 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 56 79.483 8.169 1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.654 8.940 2.323 1.00 0.00 H new ATOM 856 N ASP A 57 79.935 6.354 3.832 1.00 0.00 N ATOM 857 CA ASP A 57 80.380 5.058 4.309 1.00 0.00 C ATOM 858 C ASP A 57 79.446 3.949 3.845 1.00 0.00 C ATOM 859 O ASP A 57 78.222 4.097 3.850 1.00 0.00 O ATOM 860 CB ASP A 57 80.543 5.050 5.835 1.00 0.00 C ATOM 861 CG ASP A 57 79.343 5.573 6.601 1.00 0.00 C ATOM 862 OD1 ASP A 57 78.866 6.685 6.283 1.00 0.00 O ATOM 863 OD2 ASP A 57 78.916 4.908 7.569 1.00 0.00 O ATOM 0 H ASP A 57 79.265 6.823 4.441 1.00 0.00 H new ATOM 0 HA ASP A 57 81.361 4.866 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.749 4.030 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 57 81.415 5.650 6.097 1.00 0.00 H new ATOM 868 N ILE A 58 80.046 2.846 3.420 1.00 0.00 N ATOM 869 CA ILE A 58 79.308 1.733 2.841 1.00 0.00 C ATOM 870 C ILE A 58 79.232 0.564 3.819 1.00 0.00 C ATOM 871 O ILE A 58 80.234 0.181 4.425 1.00 0.00 O ATOM 872 CB ILE A 58 79.975 1.253 1.533 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.131 2.421 0.551 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.168 0.124 0.899 1.00 0.00 C ATOM 875 CD1 ILE A 58 80.888 2.057 -0.709 1.00 0.00 C ATOM 0 H ILE A 58 81.054 2.698 3.467 1.00 0.00 H new ATOM 0 HA ILE A 58 78.300 2.087 2.623 1.00 0.00 H new ATOM 0 HB ILE A 58 80.966 0.870 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.142 2.789 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 58 80.648 3.239 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 58 79.655 -0.199 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.109 -0.715 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.163 0.478 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 58 80.959 2.931 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 58 81.890 1.717 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 58 80.360 1.260 -1.233 1.00 0.00 H new ATOM 887 N THR A 59 78.043 0.011 3.981 1.00 0.00 N ATOM 888 CA THR A 59 77.847 -1.152 4.824 1.00 0.00 C ATOM 889 C THR A 59 76.935 -2.162 4.129 1.00 0.00 C ATOM 890 O THR A 59 76.025 -1.787 3.390 1.00 0.00 O ATOM 891 CB THR A 59 77.254 -0.755 6.193 1.00 0.00 C ATOM 892 OG1 THR A 59 78.081 0.243 6.808 1.00 0.00 O ATOM 893 CG2 THR A 59 77.157 -1.964 7.110 1.00 0.00 C ATOM 0 H THR A 59 77.192 0.354 3.535 1.00 0.00 H new ATOM 0 HA THR A 59 78.821 -1.611 4.996 1.00 0.00 H new ATOM 0 HB THR A 59 76.252 -0.357 6.031 1.00 0.00 H new ATOM 0 HG1 THR A 59 77.701 0.494 7.676 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.737 -1.661 8.069 1.00 0.00 H new ATOM 0 HG22 THR A 59 76.514 -2.716 6.653 1.00 0.00 H new ATOM 0 HG23 THR A 59 78.151 -2.383 7.266 1.00 0.00 H new ATOM 901 N TYR A 60 77.207 -3.441 4.340 1.00 0.00 N ATOM 902 CA TYR A 60 76.412 -4.499 3.741 1.00 0.00 C ATOM 903 C TYR A 60 75.224 -4.823 4.637 1.00 0.00 C ATOM 904 O TYR A 60 75.368 -4.898 5.857 1.00 0.00 O ATOM 905 CB TYR A 60 77.271 -5.747 3.526 1.00 0.00 C ATOM 906 CG TYR A 60 78.553 -5.468 2.774 1.00 0.00 C ATOM 907 CD1 TYR A 60 78.524 -4.927 1.498 1.00 0.00 C ATOM 908 CD2 TYR A 60 79.789 -5.734 3.347 1.00 0.00 C ATOM 909 CE1 TYR A 60 79.692 -4.659 0.811 1.00 0.00 C ATOM 910 CE2 TYR A 60 80.960 -5.467 2.669 1.00 0.00 C ATOM 911 CZ TYR A 60 80.906 -4.930 1.400 1.00 0.00 C ATOM 912 OH TYR A 60 82.070 -4.659 0.720 1.00 0.00 O ATOM 0 H TYR A 60 77.975 -3.771 4.924 1.00 0.00 H new ATOM 0 HA TYR A 60 76.042 -4.161 2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.514 -6.184 4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 60 76.691 -6.489 2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 60 77.573 -4.712 1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.834 -6.157 4.340 1.00 0.00 H new ATOM 0 HE1 TYR A 60 79.653 -4.239 -0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 60 81.914 -5.677 3.129 1.00 0.00 H new ATOM 0 HH TYR A 60 82.839 -4.907 1.275 1.00 0.00 H new ATOM 922 N PHE A 61 74.055 -5.000 4.038 1.00 0.00 N ATOM 923 CA PHE A 61 72.840 -5.261 4.800 1.00 0.00 C ATOM 924 C PHE A 61 71.971 -6.307 4.114 1.00 0.00 C ATOM 925 O PHE A 61 72.264 -6.746 3.001 1.00 0.00 O ATOM 926 CB PHE A 61 72.025 -3.978 4.988 1.00 0.00 C ATOM 927 CG PHE A 61 72.678 -2.962 5.878 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.785 -3.186 7.241 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.176 -1.781 5.354 1.00 0.00 C ATOM 930 CE1 PHE A 61 73.381 -2.253 8.064 1.00 0.00 C ATOM 931 CE2 PHE A 61 73.773 -0.844 6.173 1.00 0.00 C ATOM 932 CZ PHE A 61 73.874 -1.080 7.531 1.00 0.00 C ATOM 0 H PHE A 61 73.921 -4.968 3.027 1.00 0.00 H new ATOM 0 HA PHE A 61 73.149 -5.639 5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 61 71.846 -3.528 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.051 -4.237 5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 61 72.398 -4.101 7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.096 -1.591 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 61 73.462 -2.441 9.125 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.161 0.072 5.753 1.00 0.00 H new ATOM 0 HZ PHE A 61 74.338 -0.347 8.174 1.00 0.00 H new ATOM 942 N LYS A 62 70.897 -6.690 4.788 1.00 0.00 N ATOM 943 CA LYS A 62 69.926 -7.623 4.238 1.00 0.00 C ATOM 944 C LYS A 62 68.612 -6.913 3.948 1.00 0.00 C ATOM 945 O LYS A 62 68.378 -5.808 4.438 1.00 0.00 O ATOM 946 CB LYS A 62 69.674 -8.786 5.199 1.00 0.00 C ATOM 947 CG LYS A 62 70.590 -9.974 4.976 1.00 0.00 C ATOM 948 CD LYS A 62 69.943 -11.252 5.478 1.00 0.00 C ATOM 949 CE LYS A 62 70.455 -12.473 4.731 1.00 0.00 C ATOM 950 NZ LYS A 62 69.502 -13.607 4.831 1.00 0.00 N ATOM 0 H LYS A 62 70.675 -6.364 5.729 1.00 0.00 H new ATOM 0 HA LYS A 62 70.337 -8.019 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 62 69.796 -8.432 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 62 68.639 -9.113 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 62 70.819 -10.069 3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 62 71.536 -9.812 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 62 70.143 -11.367 6.543 1.00 0.00 H new ATOM 0 HD3 LYS A 62 68.861 -11.182 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 62 70.614 -12.220 3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 62 71.422 -12.771 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 69.880 -14.425 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 69.370 -13.863 5.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 68.587 -13.329 4.421 1.00 0.00 H new ATOM 964 N GLU A 63 67.746 -7.564 3.179 1.00 0.00 N ATOM 965 CA GLU A 63 66.446 -6.992 2.831 1.00 0.00 C ATOM 966 C GLU A 63 65.466 -7.075 4.001 1.00 0.00 C ATOM 967 O GLU A 63 64.290 -6.727 3.873 1.00 0.00 O ATOM 968 CB GLU A 63 65.876 -7.677 1.580 1.00 0.00 C ATOM 969 CG GLU A 63 65.905 -9.201 1.606 1.00 0.00 C ATOM 970 CD GLU A 63 64.830 -9.804 2.483 1.00 0.00 C ATOM 971 OE1 GLU A 63 63.637 -9.696 2.123 1.00 0.00 O ATOM 972 OE2 GLU A 63 65.170 -10.409 3.521 1.00 0.00 O ATOM 0 H GLU A 63 67.919 -8.488 2.784 1.00 0.00 H new ATOM 0 HA GLU A 63 66.592 -5.935 2.607 1.00 0.00 H new ATOM 0 HB2 GLU A 63 64.845 -7.351 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 63 66.436 -7.333 0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.789 -9.577 0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.881 -9.533 1.959 1.00 0.00 H new ATOM 979 N HIS A 64 65.967 -7.523 5.142 1.00 0.00 N ATOM 980 CA HIS A 64 65.165 -7.638 6.350 1.00 0.00 C ATOM 981 C HIS A 64 65.346 -6.394 7.225 1.00 0.00 C ATOM 982 O HIS A 64 64.534 -6.114 8.106 1.00 0.00 O ATOM 983 CB HIS A 64 65.581 -8.902 7.119 1.00 0.00 C ATOM 984 CG HIS A 64 64.736 -9.204 8.321 1.00 0.00 C ATOM 985 ND1 HIS A 64 65.085 -8.822 9.597 1.00 0.00 N ATOM 986 CD2 HIS A 64 63.561 -9.863 8.439 1.00 0.00 C ATOM 987 CE1 HIS A 64 64.164 -9.233 10.446 1.00 0.00 C ATOM 988 NE2 HIS A 64 63.226 -9.867 9.769 1.00 0.00 N ATOM 0 H HIS A 64 66.937 -7.816 5.256 1.00 0.00 H new ATOM 0 HA HIS A 64 64.112 -7.715 6.080 1.00 0.00 H new ATOM 0 HB2 HIS A 64 65.543 -9.754 6.440 1.00 0.00 H new ATOM 0 HB3 HIS A 64 66.618 -8.794 7.437 1.00 0.00 H new ATOM 0 HD1 HIS A 64 65.926 -8.302 9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 64 62.992 -10.305 7.635 1.00 0.00 H new ATOM 0 HE1 HIS A 64 64.175 -9.077 11.515 1.00 0.00 H new ATOM 997 N GLU A 65 66.415 -5.646 6.964 1.00 0.00 N ATOM 998 CA GLU A 65 66.769 -4.493 7.788 1.00 0.00 C ATOM 999 C GLU A 65 66.564 -3.176 7.044 1.00 0.00 C ATOM 1000 O GLU A 65 66.685 -2.098 7.634 1.00 0.00 O ATOM 1001 CB GLU A 65 68.231 -4.584 8.241 1.00 0.00 C ATOM 1002 CG GLU A 65 68.470 -5.485 9.445 1.00 0.00 C ATOM 1003 CD GLU A 65 68.053 -6.921 9.216 1.00 0.00 C ATOM 1004 OE1 GLU A 65 68.549 -7.550 8.261 1.00 0.00 O ATOM 1005 OE2 GLU A 65 67.236 -7.430 10.009 1.00 0.00 O ATOM 0 H GLU A 65 67.053 -5.818 6.187 1.00 0.00 H new ATOM 0 HA GLU A 65 66.108 -4.509 8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 65 68.833 -4.947 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 65 68.586 -3.581 8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 65 69.529 -5.459 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 65 67.923 -5.088 10.300 1.00 0.00 H new ATOM 1012 N LEU A 66 66.257 -3.258 5.758 1.00 0.00 N ATOM 1013 CA LEU A 66 66.181 -2.067 4.923 1.00 0.00 C ATOM 1014 C LEU A 66 64.739 -1.691 4.598 1.00 0.00 C ATOM 1015 O LEU A 66 63.947 -2.531 4.170 1.00 0.00 O ATOM 1016 CB LEU A 66 66.967 -2.280 3.625 1.00 0.00 C ATOM 1017 CG LEU A 66 68.458 -2.572 3.806 1.00 0.00 C ATOM 1018 CD1 LEU A 66 69.118 -2.809 2.456 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.138 -1.428 4.542 1.00 0.00 C ATOM 0 H LEU A 66 66.057 -4.132 5.271 1.00 0.00 H new ATOM 0 HA LEU A 66 66.621 -1.245 5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.515 -3.107 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 66 66.860 -1.390 3.004 1.00 0.00 H new ATOM 0 HG LEU A 66 68.565 -3.476 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 66 70.178 -3.015 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.646 -3.660 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.003 -1.921 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.198 -1.652 4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.024 -0.508 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.680 -1.303 5.523 1.00 0.00 H new ATOM 1031 N THR A 67 64.413 -0.426 4.816 1.00 0.00 N ATOM 1032 CA THR A 67 63.116 0.110 4.446 1.00 0.00 C ATOM 1033 C THR A 67 63.273 1.076 3.274 1.00 0.00 C ATOM 1034 O THR A 67 63.997 2.066 3.375 1.00 0.00 O ATOM 1035 CB THR A 67 62.456 0.844 5.633 1.00 0.00 C ATOM 1036 OG1 THR A 67 62.387 -0.025 6.770 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.053 1.318 5.274 1.00 0.00 C ATOM 0 H THR A 67 65.037 0.253 5.252 1.00 0.00 H new ATOM 0 HA THR A 67 62.475 -0.723 4.157 1.00 0.00 H new ATOM 0 HB THR A 67 63.067 1.714 5.871 1.00 0.00 H new ATOM 0 HG1 THR A 67 62.401 -0.958 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.613 1.831 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.106 2.002 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.436 0.460 5.009 1.00 0.00 H new ATOM 1045 N PRO A 68 62.626 0.785 2.135 1.00 0.00 N ATOM 1046 CA PRO A 68 62.690 1.647 0.948 1.00 0.00 C ATOM 1047 C PRO A 68 62.137 3.044 1.224 1.00 0.00 C ATOM 1048 O PRO A 68 61.083 3.192 1.847 1.00 0.00 O ATOM 1049 CB PRO A 68 61.822 0.916 -0.083 1.00 0.00 C ATOM 1050 CG PRO A 68 60.970 -0.015 0.711 1.00 0.00 C ATOM 1051 CD PRO A 68 61.784 -0.399 1.912 1.00 0.00 C ATOM 0 HA PRO A 68 63.715 1.805 0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 68 61.213 1.618 -0.653 1.00 0.00 H new ATOM 0 HB3 PRO A 68 62.437 0.372 -0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 68 60.039 0.467 1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 68 60.701 -0.894 0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 68 61.153 -0.614 2.775 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.383 -1.290 1.725 1.00 0.00 H new ATOM 1059 N LEU A 69 62.853 4.063 0.767 1.00 0.00 N ATOM 1060 CA LEU A 69 62.432 5.440 0.978 1.00 0.00 C ATOM 1061 C LEU A 69 61.351 5.834 -0.023 1.00 0.00 C ATOM 1062 O LEU A 69 61.087 5.116 -0.988 1.00 0.00 O ATOM 1063 CB LEU A 69 63.621 6.396 0.857 1.00 0.00 C ATOM 1064 CG LEU A 69 64.728 6.203 1.898 1.00 0.00 C ATOM 1065 CD1 LEU A 69 65.844 7.212 1.690 1.00 0.00 C ATOM 1066 CD2 LEU A 69 64.170 6.320 3.305 1.00 0.00 C ATOM 0 H LEU A 69 63.726 3.962 0.249 1.00 0.00 H new ATOM 0 HA LEU A 69 62.023 5.512 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 69 64.056 6.284 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 69 63.252 7.419 0.930 1.00 0.00 H new ATOM 0 HG LEU A 69 65.138 5.201 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 69 66.619 7.057 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 69 66.270 7.083 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 69 65.444 8.222 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.974 6.180 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.729 7.307 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 69 63.407 5.557 3.458 1.00 0.00 H new ATOM 1078 N LYS A 70 60.738 6.986 0.211 1.00 0.00 N ATOM 1079 CA LYS A 70 59.675 7.482 -0.649 1.00 0.00 C ATOM 1080 C LYS A 70 60.260 8.136 -1.899 1.00 0.00 C ATOM 1081 O LYS A 70 61.282 8.823 -1.832 1.00 0.00 O ATOM 1082 CB LYS A 70 58.799 8.476 0.123 1.00 0.00 C ATOM 1083 CG LYS A 70 59.530 9.742 0.543 1.00 0.00 C ATOM 1084 CD LYS A 70 58.710 10.567 1.516 1.00 0.00 C ATOM 1085 CE LYS A 70 59.290 11.963 1.691 1.00 0.00 C ATOM 1086 NZ LYS A 70 60.707 11.938 2.145 1.00 0.00 N ATOM 0 H LYS A 70 60.962 7.598 0.996 1.00 0.00 H new ATOM 0 HA LYS A 70 59.056 6.642 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 70 57.944 8.750 -0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 70 58.404 7.984 1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 70 60.482 9.477 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 70 59.758 10.340 -0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 70 57.684 10.641 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 70 58.674 10.063 2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 70 59.224 12.502 0.746 1.00 0.00 H new ATOM 0 HE3 LYS A 70 58.690 12.514 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 61.019 12.906 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 60.788 11.348 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 61.306 11.543 1.392 1.00 0.00 H new ATOM 1100 N GLY A 71 59.616 7.900 -3.034 1.00 0.00 N ATOM 1101 CA GLY A 71 60.073 8.469 -4.288 1.00 0.00 C ATOM 1102 C GLY A 71 59.249 7.979 -5.459 1.00 0.00 C ATOM 1103 O GLY A 71 59.685 7.109 -6.217 1.00 0.00 O ATOM 0 H GLY A 71 58.780 7.321 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 71 60.019 9.556 -4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 71 61.120 8.209 -4.446 1.00 0.00 H new ATOM 1107 N GLY A 72 58.056 8.536 -5.606 1.00 0.00 N ATOM 1108 CA GLY A 72 57.159 8.090 -6.649 1.00 0.00 C ATOM 1109 C GLY A 72 56.473 9.229 -7.380 1.00 0.00 C ATOM 1110 O GLY A 72 56.785 9.508 -8.537 1.00 0.00 O ATOM 0 H GLY A 72 57.694 9.289 -5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 72 57.718 7.491 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 72 56.401 7.439 -6.213 1.00 0.00 H new ATOM 1114 N LEU A 73 55.544 9.895 -6.704 1.00 0.00 N ATOM 1115 CA LEU A 73 54.708 10.900 -7.354 1.00 0.00 C ATOM 1116 C LEU A 73 55.183 12.324 -7.073 1.00 0.00 C ATOM 1117 O LEU A 73 54.668 13.276 -7.657 1.00 0.00 O ATOM 1118 CB LEU A 73 53.249 10.749 -6.911 1.00 0.00 C ATOM 1119 CG LEU A 73 52.578 9.434 -7.303 1.00 0.00 C ATOM 1120 CD1 LEU A 73 51.158 9.391 -6.766 1.00 0.00 C ATOM 1121 CD2 LEU A 73 52.585 9.260 -8.814 1.00 0.00 C ATOM 0 H LEU A 73 55.350 9.759 -5.712 1.00 0.00 H new ATOM 0 HA LEU A 73 54.788 10.730 -8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 73 53.204 10.851 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 73 52.672 11.572 -7.333 1.00 0.00 H new ATOM 0 HG LEU A 73 53.141 8.611 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 73 50.689 8.449 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 73 51.177 9.472 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 73 50.587 10.221 -7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 73 52.103 8.318 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 73 52.044 10.085 -9.278 1.00 0.00 H new ATOM 0 HD23 LEU A 73 53.614 9.253 -9.175 1.00 0.00 H new ATOM 1133 N ALA A 74 56.166 12.473 -6.200 1.00 0.00 N ATOM 1134 CA ALA A 74 56.643 13.794 -5.835 1.00 0.00 C ATOM 1135 C ALA A 74 57.900 14.137 -6.612 1.00 0.00 C ATOM 1136 O ALA A 74 58.988 13.662 -6.288 1.00 0.00 O ATOM 1137 CB ALA A 74 56.885 13.896 -4.338 1.00 0.00 C ATOM 0 H ALA A 74 56.645 11.702 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 74 55.870 14.518 -6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 74 57.242 14.897 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 74 55.954 13.703 -3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 74 57.633 13.162 -4.039 1.00 0.00 H new ATOM 1143 N TYR A 75 57.708 14.940 -7.655 1.00 0.00 N ATOM 1144 CA TYR A 75 58.784 15.417 -8.516 1.00 0.00 C ATOM 1145 C TYR A 75 59.290 14.309 -9.435 1.00 0.00 C ATOM 1146 O TYR A 75 60.171 13.526 -9.076 1.00 0.00 O ATOM 1147 CB TYR A 75 59.943 16.009 -7.708 1.00 0.00 C ATOM 1148 CG TYR A 75 60.962 16.725 -8.575 1.00 0.00 C ATOM 1149 CD1 TYR A 75 60.699 17.994 -9.075 1.00 0.00 C ATOM 1150 CD2 TYR A 75 62.171 16.127 -8.911 1.00 0.00 C ATOM 1151 CE1 TYR A 75 61.608 18.647 -9.886 1.00 0.00 C ATOM 1152 CE2 TYR A 75 63.087 16.776 -9.719 1.00 0.00 C ATOM 1153 CZ TYR A 75 62.800 18.035 -10.205 1.00 0.00 C ATOM 1154 OH TYR A 75 63.704 18.684 -11.017 1.00 0.00 O ATOM 0 H TYR A 75 56.787 15.282 -7.929 1.00 0.00 H new ATOM 0 HA TYR A 75 58.366 16.213 -9.132 1.00 0.00 H new ATOM 0 HB2 TYR A 75 59.546 16.707 -6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 75 60.440 15.211 -7.156 1.00 0.00 H new ATOM 0 HD1 TYR A 75 59.767 18.479 -8.825 1.00 0.00 H new ATOM 0 HD2 TYR A 75 62.399 15.140 -8.535 1.00 0.00 H new ATOM 0 HE1 TYR A 75 61.385 19.632 -10.268 1.00 0.00 H new ATOM 0 HE2 TYR A 75 64.023 16.299 -9.969 1.00 0.00 H new ATOM 0 HH TYR A 75 64.494 18.118 -11.145 1.00 0.00 H new ATOM 1164 N VAL A 76 58.701 14.244 -10.616 1.00 0.00 N ATOM 1165 CA VAL A 76 59.148 13.334 -11.654 1.00 0.00 C ATOM 1166 C VAL A 76 58.984 14.003 -13.019 1.00 0.00 C ATOM 1167 O VAL A 76 57.878 14.130 -13.541 1.00 0.00 O ATOM 1168 CB VAL A 76 58.392 11.977 -11.590 1.00 0.00 C ATOM 1169 CG1 VAL A 76 56.879 12.170 -11.611 1.00 0.00 C ATOM 1170 CG2 VAL A 76 58.841 11.057 -12.718 1.00 0.00 C ATOM 0 H VAL A 76 57.902 14.819 -10.881 1.00 0.00 H new ATOM 0 HA VAL A 76 60.203 13.110 -11.495 1.00 0.00 H new ATOM 0 HB VAL A 76 58.644 11.505 -10.640 1.00 0.00 H new ATOM 0 HG11 VAL A 76 56.388 11.198 -11.565 1.00 0.00 H new ATOM 0 HG12 VAL A 76 56.577 12.771 -10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 76 56.590 12.679 -12.530 1.00 0.00 H new ATOM 0 HG21 VAL A 76 58.300 10.113 -12.655 1.00 0.00 H new ATOM 0 HG22 VAL A 76 58.634 11.530 -13.678 1.00 0.00 H new ATOM 0 HG23 VAL A 76 59.911 10.868 -12.630 1.00 0.00 H new ATOM 1180 N LEU A 77 60.088 14.476 -13.579 1.00 0.00 N ATOM 1181 CA LEU A 77 60.026 15.271 -14.793 1.00 0.00 C ATOM 1182 C LEU A 77 60.912 14.676 -15.879 1.00 0.00 C ATOM 1183 O LEU A 77 62.142 14.750 -15.807 1.00 0.00 O ATOM 1184 CB LEU A 77 60.436 16.726 -14.488 1.00 0.00 C ATOM 1185 CG LEU A 77 59.986 17.794 -15.503 1.00 0.00 C ATOM 1186 CD1 LEU A 77 60.750 17.681 -16.815 1.00 0.00 C ATOM 1187 CD2 LEU A 77 58.490 17.692 -15.748 1.00 0.00 C ATOM 0 H LEU A 77 61.029 14.324 -13.215 1.00 0.00 H new ATOM 0 HA LEU A 77 59.000 15.265 -15.162 1.00 0.00 H new ATOM 0 HB2 LEU A 77 60.037 16.995 -13.510 1.00 0.00 H new ATOM 0 HB3 LEU A 77 61.523 16.765 -14.411 1.00 0.00 H new ATOM 0 HG LEU A 77 60.209 18.772 -15.076 1.00 0.00 H new ATOM 0 HD11 LEU A 77 60.404 18.451 -17.505 1.00 0.00 H new ATOM 0 HD12 LEU A 77 61.816 17.813 -16.628 1.00 0.00 H new ATOM 0 HD13 LEU A 77 60.578 16.698 -17.253 1.00 0.00 H new ATOM 0 HD21 LEU A 77 58.186 18.453 -16.467 1.00 0.00 H new ATOM 0 HD22 LEU A 77 58.252 16.704 -16.143 1.00 0.00 H new ATOM 0 HD23 LEU A 77 57.956 17.846 -14.810 1.00 0.00 H new ATOM 1199 N GLU A 78 60.275 14.065 -16.866 1.00 0.00 N ATOM 1200 CA GLU A 78 60.944 13.640 -18.087 1.00 0.00 C ATOM 1201 C GLU A 78 59.925 13.543 -19.222 1.00 0.00 C ATOM 1202 O GLU A 78 58.856 14.148 -19.142 1.00 0.00 O ATOM 1203 CB GLU A 78 61.734 12.327 -17.904 1.00 0.00 C ATOM 1204 CG GLU A 78 61.310 11.455 -16.729 1.00 0.00 C ATOM 1205 CD GLU A 78 60.022 10.705 -16.968 1.00 0.00 C ATOM 1206 OE1 GLU A 78 59.718 10.387 -18.134 1.00 0.00 O ATOM 1207 OE2 GLU A 78 59.305 10.423 -15.989 1.00 0.00 O ATOM 0 H GLU A 78 59.278 13.849 -16.843 1.00 0.00 H new ATOM 0 HA GLU A 78 61.688 14.393 -18.347 1.00 0.00 H new ATOM 0 HB2 GLU A 78 61.644 11.740 -18.818 1.00 0.00 H new ATOM 0 HB3 GLU A 78 62.789 12.574 -17.787 1.00 0.00 H new ATOM 0 HG2 GLU A 78 62.103 10.739 -16.514 1.00 0.00 H new ATOM 0 HG3 GLU A 78 61.197 12.082 -15.844 1.00 0.00 H new ATOM 1214 N HIS A 79 60.247 12.803 -20.275 1.00 0.00 N ATOM 1215 CA HIS A 79 59.427 12.812 -21.485 1.00 0.00 C ATOM 1216 C HIS A 79 58.084 12.114 -21.266 1.00 0.00 C ATOM 1217 O HIS A 79 58.000 10.889 -21.281 1.00 0.00 O ATOM 1218 CB HIS A 79 60.174 12.147 -22.647 1.00 0.00 C ATOM 1219 CG HIS A 79 59.588 12.447 -23.996 1.00 0.00 C ATOM 1220 ND1 HIS A 79 58.607 11.680 -24.584 1.00 0.00 N ATOM 1221 CD2 HIS A 79 59.865 13.440 -24.875 1.00 0.00 C ATOM 1222 CE1 HIS A 79 58.308 12.185 -25.767 1.00 0.00 C ATOM 1223 NE2 HIS A 79 59.056 13.255 -25.968 1.00 0.00 N ATOM 0 H HIS A 79 61.063 12.193 -20.319 1.00 0.00 H new ATOM 0 HA HIS A 79 59.229 13.855 -21.733 1.00 0.00 H new ATOM 0 HB2 HIS A 79 61.214 12.474 -22.632 1.00 0.00 H new ATOM 0 HB3 HIS A 79 60.177 11.068 -22.494 1.00 0.00 H new ATOM 0 HD2 HIS A 79 60.588 14.231 -24.741 1.00 0.00 H new ATOM 0 HE1 HIS A 79 57.575 11.790 -26.455 1.00 0.00 H new ATOM 0 HE2 HIS A 79 59.036 13.846 -26.799 1.00 0.00 H new ATOM 1232 N HIS A 80 57.040 12.905 -21.054 1.00 0.00 N ATOM 1233 CA HIS A 80 55.681 12.381 -20.985 1.00 0.00 C ATOM 1234 C HIS A 80 54.787 13.133 -21.955 1.00 0.00 C ATOM 1235 O HIS A 80 54.934 14.342 -22.134 1.00 0.00 O ATOM 1236 CB HIS A 80 55.088 12.515 -19.582 1.00 0.00 C ATOM 1237 CG HIS A 80 55.744 11.678 -18.535 1.00 0.00 C ATOM 1238 ND1 HIS A 80 55.413 10.361 -18.300 1.00 0.00 N ATOM 1239 CD2 HIS A 80 56.705 11.988 -17.641 1.00 0.00 C ATOM 1240 CE1 HIS A 80 56.143 9.902 -17.305 1.00 0.00 C ATOM 1241 NE2 HIS A 80 56.938 10.867 -16.886 1.00 0.00 N ATOM 0 H HIS A 80 57.108 13.915 -20.926 1.00 0.00 H new ATOM 0 HA HIS A 80 55.731 11.324 -21.245 1.00 0.00 H new ATOM 0 HB2 HIS A 80 55.146 13.560 -19.278 1.00 0.00 H new ATOM 0 HB3 HIS A 80 54.031 12.253 -19.625 1.00 0.00 H new ATOM 0 HD2 HIS A 80 57.200 12.943 -17.539 1.00 0.00 H new ATOM 0 HE1 HIS A 80 56.098 8.902 -16.900 1.00 0.00 H new ATOM 0 HE2 HIS A 80 57.614 10.792 -16.126 1.00 0.00 H new ATOM 1250 N HIS A 81 53.855 12.426 -22.571 1.00 0.00 N ATOM 1251 CA HIS A 81 52.888 13.065 -23.450 1.00 0.00 C ATOM 1252 C HIS A 81 51.526 13.138 -22.761 1.00 0.00 C ATOM 1253 O HIS A 81 50.736 12.196 -22.803 1.00 0.00 O ATOM 1254 CB HIS A 81 52.796 12.357 -24.818 1.00 0.00 C ATOM 1255 CG HIS A 81 52.449 10.898 -24.768 1.00 0.00 C ATOM 1256 ND1 HIS A 81 51.184 10.420 -25.019 1.00 0.00 N ATOM 1257 CD2 HIS A 81 53.213 9.812 -24.511 1.00 0.00 C ATOM 1258 CE1 HIS A 81 51.183 9.106 -24.916 1.00 0.00 C ATOM 1259 NE2 HIS A 81 52.403 8.708 -24.606 1.00 0.00 N ATOM 0 H HIS A 81 53.747 11.416 -22.480 1.00 0.00 H new ATOM 0 HA HIS A 81 53.230 14.080 -23.651 1.00 0.00 H new ATOM 0 HB2 HIS A 81 52.049 12.870 -25.423 1.00 0.00 H new ATOM 0 HB3 HIS A 81 53.752 12.468 -25.330 1.00 0.00 H new ATOM 0 HD2 HIS A 81 54.267 9.813 -24.274 1.00 0.00 H new ATOM 0 HE1 HIS A 81 50.328 8.463 -25.061 1.00 0.00 H new ATOM 0 HE2 HIS A 81 52.695 7.741 -24.461 1.00 0.00 H new ATOM 1268 N HIS A 82 51.285 14.253 -22.080 1.00 0.00 N ATOM 1269 CA HIS A 82 50.035 14.468 -21.356 1.00 0.00 C ATOM 1270 C HIS A 82 50.004 15.889 -20.814 1.00 0.00 C ATOM 1271 O HIS A 82 49.218 16.723 -21.254 1.00 0.00 O ATOM 1272 CB HIS A 82 49.904 13.467 -20.199 1.00 0.00 C ATOM 1273 CG HIS A 82 48.506 13.308 -19.673 1.00 0.00 C ATOM 1274 ND1 HIS A 82 47.715 12.227 -19.987 1.00 0.00 N ATOM 1275 CD2 HIS A 82 47.767 14.081 -18.843 1.00 0.00 C ATOM 1276 CE1 HIS A 82 46.552 12.338 -19.374 1.00 0.00 C ATOM 1277 NE2 HIS A 82 46.559 13.454 -18.676 1.00 0.00 N ATOM 0 H HIS A 82 51.944 15.028 -22.014 1.00 0.00 H new ATOM 0 HA HIS A 82 49.200 14.318 -22.040 1.00 0.00 H new ATOM 0 HB2 HIS A 82 50.267 12.495 -20.533 1.00 0.00 H new ATOM 0 HB3 HIS A 82 50.552 13.786 -19.383 1.00 0.00 H new ATOM 0 HD2 HIS A 82 48.072 15.016 -18.396 1.00 0.00 H new ATOM 0 HE1 HIS A 82 45.735 11.634 -19.434 1.00 0.00 H new ATOM 0 HE2 HIS A 82 45.789 13.798 -18.102 1.00 0.00 H new ATOM 1286 N HIS A 83 50.893 16.154 -19.869 1.00 0.00 N ATOM 1287 CA HIS A 83 51.016 17.469 -19.245 1.00 0.00 C ATOM 1288 C HIS A 83 52.430 17.604 -18.716 1.00 0.00 C ATOM 1289 O HIS A 83 52.683 18.307 -17.737 1.00 0.00 O ATOM 1290 CB HIS A 83 49.990 17.632 -18.106 1.00 0.00 C ATOM 1291 CG HIS A 83 50.291 16.881 -16.826 1.00 0.00 C ATOM 1292 ND1 HIS A 83 51.168 15.812 -16.727 1.00 0.00 N ATOM 1293 CD2 HIS A 83 49.815 17.076 -15.572 1.00 0.00 C ATOM 1294 CE1 HIS A 83 51.209 15.393 -15.478 1.00 0.00 C ATOM 1295 NE2 HIS A 83 50.401 16.142 -14.758 1.00 0.00 N ATOM 0 H HIS A 83 51.553 15.464 -19.510 1.00 0.00 H new ATOM 0 HA HIS A 83 50.813 18.251 -19.977 1.00 0.00 H new ATOM 0 HB2 HIS A 83 49.905 18.693 -17.870 1.00 0.00 H new ATOM 0 HB3 HIS A 83 49.016 17.308 -18.473 1.00 0.00 H new ATOM 0 HD1 HIS A 83 51.699 15.412 -17.501 1.00 0.00 H new ATOM 0 HD2 HIS A 83 49.104 17.830 -15.269 1.00 0.00 H new ATOM 0 HE1 HIS A 83 51.806 14.573 -15.107 1.00 0.00 H new ATOM 1304 N HIS A 84 53.340 16.953 -19.436 1.00 0.00 N ATOM 1305 CA HIS A 84 54.634 16.535 -18.905 1.00 0.00 C ATOM 1306 C HIS A 84 54.394 15.325 -18.019 1.00 0.00 C ATOM 1307 O HIS A 84 55.317 14.919 -17.299 1.00 0.00 O ATOM 1308 CB HIS A 84 55.359 17.636 -18.112 1.00 0.00 C ATOM 1309 CG HIS A 84 55.784 18.818 -18.926 1.00 0.00 C ATOM 1310 ND1 HIS A 84 56.278 19.970 -18.362 1.00 0.00 N ATOM 1311 CD2 HIS A 84 55.793 19.025 -20.263 1.00 0.00 C ATOM 1312 CE1 HIS A 84 56.572 20.833 -19.313 1.00 0.00 C ATOM 1313 NE2 HIS A 84 56.287 20.288 -20.481 1.00 0.00 N ATOM 1314 OXT HIS A 84 53.251 14.796 -18.058 1.00 0.00 O ATOM 0 H HIS A 84 53.198 16.699 -20.414 1.00 0.00 H new ATOM 0 HA HIS A 84 55.289 16.301 -19.744 1.00 0.00 H new ATOM 0 HB2 HIS A 84 54.703 17.980 -17.312 1.00 0.00 H new ATOM 0 HB3 HIS A 84 56.240 17.203 -17.638 1.00 0.00 H new ATOM 0 HD2 HIS A 84 55.471 18.325 -21.020 1.00 0.00 H new ATOM 0 HE1 HIS A 84 56.979 21.822 -19.162 1.00 0.00 H new ATOM 0 HE2 HIS A 84 56.412 20.730 -21.392 1.00 0.00 H new TER 1323 HIS A 84