USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 638 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 27 THR OG1 : rot 180:sc= -0.301 USER MOD Set 1.2: A 65 GLN : amide:sc= 0 K(o=-0.3,f=-1.2) USER MOD Set 2.1: A 57 GLN : amide:sc= -0.234 K(o=-0.32,f=-1.5!) USER MOD Set 2.2: A 62 CYS SG : rot 150:sc= -0.0868 USER MOD Set 3.1: A 42 LYS NZ :NH3+ -159:sc= -1.77! (180deg=-3.17!) USER MOD Set 3.2: A 53 TYR OH : rot 100:sc= 0.677 USER MOD Set 4.1: A 25 THR OG1 : rot -129:sc= 0.555 USER MOD Set 4.2: A 67 HIS : no HD1:sc= 0.431 K(o=0.99,f=-1.6) USER MOD Single : A 12 THR OG1 : rot 137:sc= -0.0428 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 69:sc= -1.98! USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= -0.0843 (180deg=-0.754) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0196 K(o=-0.02,f=-0.72) USER MOD Single : A 30 CYS SG : rot -170:sc= -0.462 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.513) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= 1.41 (180deg=0.129) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 0.269 (180deg=0.261) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0561 USER MOD Single : A 77 TYR OH : rot 39:sc= -2.11 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 3:sc= 0.00892 USER MOD Single : A 80 MET CE :methyl -176:sc= -5.52! (180deg=-5.85!) USER MOD Single : A 81 CYS SG : rot -89:sc= -1.31 USER MOD Single : A 83 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.4) USER MOD Single : A 86 THR OG1 : rot 130:sc= -0.0314 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.379 24.134 -2.693 1.00 0.00 N ATOM 81 CA ALA A 9 10.088 23.402 -1.466 1.00 0.00 C ATOM 82 C ALA A 9 11.205 22.417 -1.136 1.00 0.00 C ATOM 83 O ALA A 9 11.806 21.823 -2.032 1.00 0.00 O ATOM 84 CB ALA A 9 8.758 22.674 -1.589 1.00 0.00 C ATOM 0 HA ALA A 9 10.021 24.121 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.553 22.132 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.963 23.397 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.804 21.971 -2.420 1.00 0.00 H new ATOM 90 N ARG A 10 11.478 22.250 0.153 1.00 0.00 N ATOM 91 CA ARG A 10 12.524 21.338 0.601 1.00 0.00 C ATOM 92 C ARG A 10 12.006 20.413 1.698 1.00 0.00 C ATOM 93 O ARG A 10 11.304 20.848 2.611 1.00 0.00 O ATOM 94 CB ARG A 10 13.732 22.125 1.110 1.00 0.00 C ATOM 95 CG ARG A 10 13.449 22.928 2.369 1.00 0.00 C ATOM 96 CD ARG A 10 14.735 23.411 3.023 1.00 0.00 C ATOM 97 NE ARG A 10 15.176 24.694 2.481 1.00 0.00 N ATOM 98 CZ ARG A 10 15.885 24.815 1.364 1.00 0.00 C ATOM 99 NH1 ARG A 10 16.232 23.737 0.675 1.00 0.00 N ATOM 100 NH2 ARG A 10 16.249 26.017 0.935 1.00 0.00 N ATOM 0 H ARG A 10 10.990 22.734 0.906 1.00 0.00 H new ATOM 0 HA ARG A 10 12.829 20.728 -0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.550 21.432 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.071 22.802 0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.821 23.784 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.889 22.315 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.582 23.505 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.518 22.667 2.876 1.00 0.00 H new ATOM 0 HE ARG A 10 14.926 25.543 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.955 22.812 1.002 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.776 23.833 -0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.984 26.849 1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.793 26.109 0.077 1.00 0.00 H new ATOM 114 N PHE A 11 12.357 19.135 1.602 1.00 0.00 N ATOM 115 CA PHE A 11 11.927 18.148 2.586 1.00 0.00 C ATOM 116 C PHE A 11 12.377 18.546 3.988 1.00 0.00 C ATOM 117 O PHE A 11 13.485 19.050 4.178 1.00 0.00 O ATOM 118 CB PHE A 11 12.483 16.767 2.231 1.00 0.00 C ATOM 119 CG PHE A 11 11.736 16.087 1.120 1.00 0.00 C ATOM 120 CD1 PHE A 11 10.609 15.327 1.388 1.00 0.00 C ATOM 121 CD2 PHE A 11 12.162 16.208 -0.194 1.00 0.00 C ATOM 122 CE1 PHE A 11 9.920 14.700 0.367 1.00 0.00 C ATOM 123 CE2 PHE A 11 11.476 15.584 -1.218 1.00 0.00 C ATOM 124 CZ PHE A 11 10.354 14.828 -0.938 1.00 0.00 C ATOM 0 H PHE A 11 12.938 18.758 0.853 1.00 0.00 H new ATOM 0 HA PHE A 11 10.838 18.108 2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.530 16.868 1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.455 16.134 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.265 15.223 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 11 13.039 16.796 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.043 14.110 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.817 15.687 -2.238 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.818 14.338 -1.737 1.00 0.00 H new ATOM 134 N THR A 12 11.510 18.315 4.970 1.00 0.00 N ATOM 135 CA THR A 12 11.817 18.650 6.354 1.00 0.00 C ATOM 136 C THR A 12 11.844 17.402 7.229 1.00 0.00 C ATOM 137 O THR A 12 12.592 17.333 8.203 1.00 0.00 O ATOM 138 CB THR A 12 10.793 19.646 6.931 1.00 0.00 C ATOM 139 OG1 THR A 12 9.467 19.128 6.779 1.00 0.00 O ATOM 140 CG2 THR A 12 10.898 20.995 6.236 1.00 0.00 C ATOM 0 H THR A 12 10.590 17.897 4.831 1.00 0.00 H new ATOM 0 HA THR A 12 12.804 19.113 6.356 1.00 0.00 H new ATOM 0 HB THR A 12 11.010 19.783 7.990 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.961 19.277 7.605 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.165 21.681 6.661 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.900 21.401 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.704 20.871 5.170 1.00 0.00 H new ATOM 148 N GLN A 13 11.023 16.419 6.874 1.00 0.00 N ATOM 149 CA GLN A 13 10.954 15.173 7.628 1.00 0.00 C ATOM 150 C GLN A 13 11.112 13.969 6.706 1.00 0.00 C ATOM 151 O GLN A 13 10.337 13.788 5.766 1.00 0.00 O ATOM 152 CB GLN A 13 9.626 15.082 8.382 1.00 0.00 C ATOM 153 CG GLN A 13 9.682 15.665 9.785 1.00 0.00 C ATOM 154 CD GLN A 13 10.200 14.675 10.809 1.00 0.00 C ATOM 155 OE1 GLN A 13 9.488 13.756 11.216 1.00 0.00 O ATOM 156 NE2 GLN A 13 11.445 14.857 11.232 1.00 0.00 N ATOM 0 H GLN A 13 10.397 16.461 6.070 1.00 0.00 H new ATOM 0 HA GLN A 13 11.773 15.167 8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.857 15.603 7.811 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.324 14.037 8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.322 16.547 9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.685 15.995 10.077 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.999 15.632 10.868 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.847 14.222 11.921 1.00 0.00 H new ATOM 165 N ASP A 14 12.119 13.148 6.980 1.00 0.00 N ATOM 166 CA ASP A 14 12.379 11.960 6.175 1.00 0.00 C ATOM 167 C ASP A 14 11.079 11.234 5.843 1.00 0.00 C ATOM 168 O ASP A 14 10.103 11.314 6.590 1.00 0.00 O ATOM 169 CB ASP A 14 13.331 11.016 6.911 1.00 0.00 C ATOM 170 CG ASP A 14 14.705 11.623 7.114 1.00 0.00 C ATOM 171 OD1 ASP A 14 15.197 12.300 6.187 1.00 0.00 O ATOM 172 OD2 ASP A 14 15.289 11.421 8.200 1.00 0.00 O ATOM 0 H ASP A 14 12.769 13.283 7.754 1.00 0.00 H new ATOM 0 HA ASP A 14 12.845 12.278 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.904 10.757 7.880 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.426 10.088 6.347 1.00 0.00 H new ATOM 177 N LEU A 15 11.073 10.526 4.719 1.00 0.00 N ATOM 178 CA LEU A 15 9.892 9.786 4.287 1.00 0.00 C ATOM 179 C LEU A 15 9.690 8.537 5.139 1.00 0.00 C ATOM 180 O LEU A 15 10.611 7.740 5.320 1.00 0.00 O ATOM 181 CB LEU A 15 10.021 9.396 2.813 1.00 0.00 C ATOM 182 CG LEU A 15 8.715 9.317 2.023 1.00 0.00 C ATOM 183 CD1 LEU A 15 8.997 9.222 0.532 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.882 8.130 2.487 1.00 0.00 C ATOM 0 H LEU A 15 11.872 10.449 4.090 1.00 0.00 H new ATOM 0 HA LEU A 15 9.023 10.433 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.676 10.117 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.516 8.426 2.756 1.00 0.00 H new ATOM 0 HG LEU A 15 8.146 10.229 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.055 9.167 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.552 10.103 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.587 8.328 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.956 8.089 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.444 7.209 2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.649 8.241 3.546 1.00 0.00 H new ATOM 196 N LYS A 16 8.479 8.372 5.660 1.00 0.00 N ATOM 197 CA LYS A 16 8.154 7.219 6.491 1.00 0.00 C ATOM 198 C LYS A 16 7.162 6.301 5.783 1.00 0.00 C ATOM 199 O LYS A 16 6.521 6.695 4.808 1.00 0.00 O ATOM 200 CB LYS A 16 7.574 7.677 7.831 1.00 0.00 C ATOM 201 CG LYS A 16 6.143 8.177 7.735 1.00 0.00 C ATOM 202 CD LYS A 16 5.143 7.056 7.963 1.00 0.00 C ATOM 203 CE LYS A 16 3.731 7.484 7.594 1.00 0.00 C ATOM 204 NZ LYS A 16 2.703 6.674 8.305 1.00 0.00 N ATOM 0 H LYS A 16 7.706 9.023 5.521 1.00 0.00 H new ATOM 0 HA LYS A 16 9.073 6.662 6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.614 6.848 8.537 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.201 8.471 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.982 8.965 8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.977 8.620 6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.428 6.187 7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.170 6.750 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.595 8.538 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.591 7.385 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.754 6.996 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.816 5.671 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.820 6.788 9.332 1.00 0.00 H new ATOM 218 N THR A 17 7.039 5.074 6.281 1.00 0.00 N ATOM 219 CA THR A 17 6.126 4.101 5.696 1.00 0.00 C ATOM 220 C THR A 17 5.567 3.163 6.760 1.00 0.00 C ATOM 221 O THR A 17 5.925 3.256 7.935 1.00 0.00 O ATOM 222 CB THR A 17 6.820 3.264 4.605 1.00 0.00 C ATOM 223 OG1 THR A 17 5.936 2.239 4.138 1.00 0.00 O ATOM 224 CG2 THR A 17 8.099 2.635 5.136 1.00 0.00 C ATOM 0 H THR A 17 7.560 4.731 7.088 1.00 0.00 H new ATOM 0 HA THR A 17 5.309 4.665 5.246 1.00 0.00 H new ATOM 0 HB THR A 17 7.077 3.926 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.197 2.646 3.639 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.571 2.049 4.347 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.782 3.419 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.862 1.985 5.979 1.00 0.00 H new ATOM 232 N LYS A 18 4.687 2.259 6.343 1.00 0.00 N ATOM 233 CA LYS A 18 4.079 1.302 7.260 1.00 0.00 C ATOM 234 C LYS A 18 4.232 -0.123 6.739 1.00 0.00 C ATOM 235 O LYS A 18 4.518 -0.335 5.561 1.00 0.00 O ATOM 236 CB LYS A 18 2.597 1.627 7.460 1.00 0.00 C ATOM 237 CG LYS A 18 1.762 1.456 6.202 1.00 0.00 C ATOM 238 CD LYS A 18 1.219 0.042 6.082 1.00 0.00 C ATOM 239 CE LYS A 18 -0.136 -0.095 6.759 1.00 0.00 C ATOM 240 NZ LYS A 18 -0.002 -0.453 8.199 1.00 0.00 N ATOM 0 H LYS A 18 4.379 2.169 5.375 1.00 0.00 H new ATOM 0 HA LYS A 18 4.594 1.377 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.195 0.984 8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.503 2.654 7.812 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.934 2.165 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.369 1.689 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.130 -0.226 5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.923 -0.658 6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.685 0.842 6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.722 -0.859 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.871 -0.924 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.807 -1.095 8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.152 0.410 8.758 1.00 0.00 H new ATOM 254 N GLU A 19 4.039 -1.096 7.624 1.00 0.00 N ATOM 255 CA GLU A 19 4.156 -2.501 7.251 1.00 0.00 C ATOM 256 C GLU A 19 2.782 -3.107 6.979 1.00 0.00 C ATOM 257 O GLU A 19 1.984 -3.300 7.896 1.00 0.00 O ATOM 258 CB GLU A 19 4.863 -3.288 8.356 1.00 0.00 C ATOM 259 CG GLU A 19 4.833 -4.793 8.147 1.00 0.00 C ATOM 260 CD GLU A 19 5.181 -5.564 9.405 1.00 0.00 C ATOM 261 OE1 GLU A 19 6.380 -5.836 9.622 1.00 0.00 O ATOM 262 OE2 GLU A 19 4.254 -5.895 10.173 1.00 0.00 O ATOM 0 H GLU A 19 3.801 -0.937 8.603 1.00 0.00 H new ATOM 0 HA GLU A 19 4.748 -2.560 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.900 -2.959 8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.397 -3.053 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.841 -5.089 7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.534 -5.060 7.356 1.00 0.00 H new ATOM 269 N ALA A 20 2.513 -3.405 5.712 1.00 0.00 N ATOM 270 CA ALA A 20 1.238 -3.991 5.319 1.00 0.00 C ATOM 271 C ALA A 20 1.434 -5.372 4.703 1.00 0.00 C ATOM 272 O ALA A 20 2.556 -5.768 4.389 1.00 0.00 O ATOM 273 CB ALA A 20 0.514 -3.074 4.344 1.00 0.00 C ATOM 0 H ALA A 20 3.162 -3.250 4.940 1.00 0.00 H new ATOM 0 HA ALA A 20 0.628 -4.106 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.437 -3.524 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.331 -2.110 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.128 -2.930 3.455 1.00 0.00 H new ATOM 279 N SER A 21 0.336 -6.101 4.534 1.00 0.00 N ATOM 280 CA SER A 21 0.388 -7.440 3.959 1.00 0.00 C ATOM 281 C SER A 21 -0.076 -7.426 2.506 1.00 0.00 C ATOM 282 O SER A 21 -0.634 -6.438 2.031 1.00 0.00 O ATOM 283 CB SER A 21 -0.478 -8.402 4.774 1.00 0.00 C ATOM 284 OG SER A 21 -0.156 -8.336 6.153 1.00 0.00 O ATOM 0 H SER A 21 -0.601 -5.787 4.787 1.00 0.00 H new ATOM 0 HA SER A 21 1.423 -7.781 3.988 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.531 -8.158 4.631 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.335 -9.420 4.412 1.00 0.00 H new ATOM 0 HG SER A 21 -0.725 -8.959 6.652 1.00 0.00 H new ATOM 290 N GLU A 22 0.159 -8.532 1.806 1.00 0.00 N ATOM 291 CA GLU A 22 -0.234 -8.647 0.406 1.00 0.00 C ATOM 292 C GLU A 22 -1.697 -8.256 0.218 1.00 0.00 C ATOM 293 O GLU A 22 -2.559 -8.640 1.007 1.00 0.00 O ATOM 294 CB GLU A 22 -0.007 -10.075 -0.095 1.00 0.00 C ATOM 295 CG GLU A 22 1.373 -10.299 -0.688 1.00 0.00 C ATOM 296 CD GLU A 22 1.630 -11.753 -1.034 1.00 0.00 C ATOM 297 OE1 GLU A 22 0.697 -12.418 -1.532 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.763 -12.227 -0.807 1.00 0.00 O ATOM 0 H GLU A 22 0.619 -9.360 2.185 1.00 0.00 H new ATOM 0 HA GLU A 22 0.384 -7.963 -0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.155 -10.769 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.759 -10.311 -0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.482 -9.691 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.128 -9.959 0.020 1.00 0.00 H new ATOM 305 N GLY A 23 -1.969 -7.490 -0.834 1.00 0.00 N ATOM 306 CA GLY A 23 -3.328 -7.059 -1.107 1.00 0.00 C ATOM 307 C GLY A 23 -3.695 -5.792 -0.361 1.00 0.00 C ATOM 308 O GLY A 23 -4.460 -4.969 -0.862 1.00 0.00 O ATOM 0 H GLY A 23 -1.273 -7.160 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.445 -6.893 -2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.021 -7.854 -0.830 1.00 0.00 H new ATOM 312 N ALA A 24 -3.150 -5.635 0.841 1.00 0.00 N ATOM 313 CA ALA A 24 -3.424 -4.459 1.657 1.00 0.00 C ATOM 314 C ALA A 24 -2.931 -3.189 0.973 1.00 0.00 C ATOM 315 O ALA A 24 -2.259 -3.246 -0.058 1.00 0.00 O ATOM 316 CB ALA A 24 -2.781 -4.606 3.028 1.00 0.00 C ATOM 0 H ALA A 24 -2.516 -6.308 1.271 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.504 -4.378 1.781 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.994 -3.720 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.185 -5.487 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.703 -4.716 2.914 1.00 0.00 H new ATOM 322 N THR A 25 -3.270 -2.041 1.551 1.00 0.00 N ATOM 323 CA THR A 25 -2.863 -0.756 0.996 1.00 0.00 C ATOM 324 C THR A 25 -1.943 -0.009 1.955 1.00 0.00 C ATOM 325 O THR A 25 -2.350 0.368 3.053 1.00 0.00 O ATOM 326 CB THR A 25 -4.082 0.130 0.677 1.00 0.00 C ATOM 327 OG1 THR A 25 -5.057 -0.623 -0.053 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.668 1.351 -0.130 1.00 0.00 C ATOM 0 H THR A 25 -3.826 -1.975 2.404 1.00 0.00 H new ATOM 0 HA THR A 25 -2.325 -0.967 0.072 1.00 0.00 H new ATOM 0 HB THR A 25 -4.515 0.467 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.322 -0.125 -0.854 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.546 1.961 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.948 1.938 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.213 1.031 -1.067 1.00 0.00 H new ATOM 336 N ALA A 26 -0.701 0.202 1.532 1.00 0.00 N ATOM 337 CA ALA A 26 0.276 0.907 2.353 1.00 0.00 C ATOM 338 C ALA A 26 -0.076 2.386 2.476 1.00 0.00 C ATOM 339 O ALA A 26 -1.069 2.848 1.914 1.00 0.00 O ATOM 340 CB ALA A 26 1.672 0.741 1.771 1.00 0.00 C ATOM 0 H ALA A 26 -0.348 -0.105 0.626 1.00 0.00 H new ATOM 0 HA ALA A 26 0.257 0.472 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.391 1.272 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.930 -0.318 1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.696 1.149 0.761 1.00 0.00 H new ATOM 346 N THR A 27 0.745 3.125 3.216 1.00 0.00 N ATOM 347 CA THR A 27 0.520 4.551 3.414 1.00 0.00 C ATOM 348 C THR A 27 1.815 5.266 3.782 1.00 0.00 C ATOM 349 O THR A 27 2.336 5.100 4.886 1.00 0.00 O ATOM 350 CB THR A 27 -0.525 4.807 4.517 1.00 0.00 C ATOM 351 OG1 THR A 27 -1.728 4.085 4.229 1.00 0.00 O ATOM 352 CG2 THR A 27 -0.835 6.291 4.635 1.00 0.00 C ATOM 0 H THR A 27 1.572 2.759 3.688 1.00 0.00 H new ATOM 0 HA THR A 27 0.145 4.946 2.470 1.00 0.00 H new ATOM 0 HB THR A 27 -0.112 4.462 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.387 4.252 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.575 6.447 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.077 6.835 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.229 6.657 3.687 1.00 0.00 H new ATOM 360 N LEU A 28 2.330 6.063 2.853 1.00 0.00 N ATOM 361 CA LEU A 28 3.565 6.805 3.080 1.00 0.00 C ATOM 362 C LEU A 28 3.289 8.301 3.193 1.00 0.00 C ATOM 363 O LEU A 28 2.722 8.907 2.285 1.00 0.00 O ATOM 364 CB LEU A 28 4.557 6.543 1.945 1.00 0.00 C ATOM 365 CG LEU A 28 4.724 5.083 1.523 1.00 0.00 C ATOM 366 CD1 LEU A 28 3.735 4.729 0.423 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.151 4.820 1.065 1.00 0.00 C ATOM 0 H LEU A 28 1.911 6.212 1.935 1.00 0.00 H new ATOM 0 HA LEU A 28 3.998 6.462 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.242 7.118 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.532 6.927 2.245 1.00 0.00 H new ATOM 0 HG LEU A 28 4.518 4.449 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.869 3.686 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.718 4.878 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.909 5.369 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.251 3.776 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.385 5.462 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.840 5.033 1.882 1.00 0.00 H new ATOM 379 N GLN A 29 3.695 8.889 4.314 1.00 0.00 N ATOM 380 CA GLN A 29 3.492 10.314 4.545 1.00 0.00 C ATOM 381 C GLN A 29 4.823 11.025 4.767 1.00 0.00 C ATOM 382 O GLN A 29 5.725 10.487 5.411 1.00 0.00 O ATOM 383 CB GLN A 29 2.577 10.532 5.751 1.00 0.00 C ATOM 384 CG GLN A 29 1.116 10.223 5.470 1.00 0.00 C ATOM 385 CD GLN A 29 0.180 10.860 6.478 1.00 0.00 C ATOM 386 OE1 GLN A 29 0.366 12.011 6.874 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.835 10.114 6.899 1.00 0.00 N ATOM 0 H GLN A 29 4.166 8.401 5.076 1.00 0.00 H new ATOM 0 HA GLN A 29 3.019 10.736 3.658 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.920 9.906 6.575 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.664 11.568 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.860 10.574 4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.969 9.143 5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.952 9.165 6.545 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.498 10.490 7.577 1.00 0.00 H new ATOM 396 N CYS A 30 4.940 12.234 4.230 1.00 0.00 N ATOM 397 CA CYS A 30 6.162 13.018 4.369 1.00 0.00 C ATOM 398 C CYS A 30 5.840 14.497 4.560 1.00 0.00 C ATOM 399 O CYS A 30 4.744 14.950 4.235 1.00 0.00 O ATOM 400 CB CYS A 30 7.053 12.832 3.140 1.00 0.00 C ATOM 401 SG CYS A 30 6.456 13.681 1.659 1.00 0.00 S ATOM 0 H CYS A 30 4.203 12.693 3.694 1.00 0.00 H new ATOM 0 HA CYS A 30 6.694 12.664 5.252 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.055 13.192 3.373 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.139 11.767 2.925 1.00 0.00 H new ATOM 0 HG CYS A 30 7.152 13.299 0.630 1.00 0.00 H new ATOM 407 N GLU A 31 6.804 15.242 5.091 1.00 0.00 N ATOM 408 CA GLU A 31 6.622 16.670 5.329 1.00 0.00 C ATOM 409 C GLU A 31 7.528 17.493 4.417 1.00 0.00 C ATOM 410 O GLU A 31 8.533 16.995 3.909 1.00 0.00 O ATOM 411 CB GLU A 31 6.911 17.007 6.793 1.00 0.00 C ATOM 412 CG GLU A 31 6.151 18.221 7.299 1.00 0.00 C ATOM 413 CD GLU A 31 6.404 18.497 8.769 1.00 0.00 C ATOM 414 OE1 GLU A 31 5.725 17.877 9.614 1.00 0.00 O ATOM 415 OE2 GLU A 31 7.281 19.332 9.073 1.00 0.00 O ATOM 0 H GLU A 31 7.718 14.882 5.364 1.00 0.00 H new ATOM 0 HA GLU A 31 5.585 16.921 5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.658 16.146 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.980 17.182 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.439 19.095 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.083 18.069 7.140 1.00 0.00 H new ATOM 422 N LEU A 32 7.164 18.754 4.214 1.00 0.00 N ATOM 423 CA LEU A 32 7.942 19.647 3.363 1.00 0.00 C ATOM 424 C LEU A 32 7.955 21.064 3.929 1.00 0.00 C ATOM 425 O LEU A 32 7.102 21.427 4.739 1.00 0.00 O ATOM 426 CB LEU A 32 7.372 19.658 1.944 1.00 0.00 C ATOM 427 CG LEU A 32 7.512 18.356 1.154 1.00 0.00 C ATOM 428 CD1 LEU A 32 6.517 18.319 0.005 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.934 18.198 0.636 1.00 0.00 C ATOM 0 H LEU A 32 6.335 19.181 4.627 1.00 0.00 H new ATOM 0 HA LEU A 32 8.967 19.278 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.314 19.913 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.862 20.454 1.383 1.00 0.00 H new ATOM 0 HG LEU A 32 7.295 17.523 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.632 17.385 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.503 18.386 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.702 19.160 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.016 17.266 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.179 19.036 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.627 18.178 1.477 1.00 0.00 H new ATOM 441 N SER A 33 8.927 21.860 3.495 1.00 0.00 N ATOM 442 CA SER A 33 9.052 23.237 3.960 1.00 0.00 C ATOM 443 C SER A 33 7.817 24.050 3.586 1.00 0.00 C ATOM 444 O SER A 33 7.399 24.942 4.325 1.00 0.00 O ATOM 445 CB SER A 33 10.303 23.886 3.365 1.00 0.00 C ATOM 446 OG SER A 33 10.718 24.998 4.140 1.00 0.00 O ATOM 0 H SER A 33 9.639 21.575 2.822 1.00 0.00 H new ATOM 0 HA SER A 33 9.141 23.222 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.108 23.153 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.099 24.206 2.343 1.00 0.00 H new ATOM 0 HG SER A 33 11.520 25.394 3.740 1.00 0.00 H new ATOM 452 N LYS A 34 7.236 23.736 2.433 1.00 0.00 N ATOM 453 CA LYS A 34 6.047 24.435 1.959 1.00 0.00 C ATOM 454 C LYS A 34 5.300 23.599 0.925 1.00 0.00 C ATOM 455 O LYS A 34 5.913 22.933 0.090 1.00 0.00 O ATOM 456 CB LYS A 34 6.433 25.788 1.355 1.00 0.00 C ATOM 457 CG LYS A 34 7.283 25.674 0.101 1.00 0.00 C ATOM 458 CD LYS A 34 7.070 26.858 -0.827 1.00 0.00 C ATOM 459 CE LYS A 34 7.958 26.768 -2.058 1.00 0.00 C ATOM 460 NZ LYS A 34 7.296 26.025 -3.166 1.00 0.00 N ATOM 0 H LYS A 34 7.570 23.001 1.809 1.00 0.00 H new ATOM 0 HA LYS A 34 5.388 24.599 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.525 26.343 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.977 26.368 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.335 25.613 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.037 24.751 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.025 26.898 -1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.281 27.784 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.213 27.772 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.893 26.273 -1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.980 25.377 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.496 25.479 -2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.950 26.699 -3.878 1.00 0.00 H new ATOM 474 N VAL A 35 3.973 23.640 0.984 1.00 0.00 N ATOM 475 CA VAL A 35 3.142 22.888 0.051 1.00 0.00 C ATOM 476 C VAL A 35 3.635 23.055 -1.381 1.00 0.00 C ATOM 477 O VAL A 35 3.553 24.141 -1.954 1.00 0.00 O ATOM 478 CB VAL A 35 1.669 23.329 0.131 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.539 24.814 -0.170 1.00 0.00 C ATOM 480 CG2 VAL A 35 0.815 22.507 -0.823 1.00 0.00 C ATOM 0 H VAL A 35 3.450 24.186 1.668 1.00 0.00 H new ATOM 0 HA VAL A 35 3.215 21.839 0.337 1.00 0.00 H new ATOM 0 HB VAL A 35 1.310 23.156 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.491 25.107 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.118 25.384 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.914 25.016 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.223 22.832 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.172 22.647 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.884 21.452 -0.556 1.00 0.00 H new ATOM 490 N ALA A 36 4.149 21.972 -1.955 1.00 0.00 N ATOM 491 CA ALA A 36 4.653 21.998 -3.323 1.00 0.00 C ATOM 492 C ALA A 36 4.409 20.666 -4.023 1.00 0.00 C ATOM 493 O ALA A 36 4.281 19.618 -3.390 1.00 0.00 O ATOM 494 CB ALA A 36 6.136 22.338 -3.332 1.00 0.00 C ATOM 0 H ALA A 36 4.227 21.066 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 36 4.111 22.770 -3.870 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.499 22.354 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.288 23.317 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.685 21.586 -2.765 1.00 0.00 H new ATOM 500 N PRO A 37 4.342 20.704 -5.363 1.00 0.00 N ATOM 501 CA PRO A 37 4.112 19.508 -6.178 1.00 0.00 C ATOM 502 C PRO A 37 5.307 18.561 -6.167 1.00 0.00 C ATOM 503 O PRO A 37 6.409 18.930 -6.576 1.00 0.00 O ATOM 504 CB PRO A 37 3.891 20.074 -7.583 1.00 0.00 C ATOM 505 CG PRO A 37 4.607 21.380 -7.582 1.00 0.00 C ATOM 506 CD PRO A 37 4.486 21.918 -6.183 1.00 0.00 C ATOM 0 HA PRO A 37 3.276 18.915 -5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.289 19.405 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.830 20.204 -7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.653 21.252 -7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.166 22.067 -8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.366 22.495 -5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.625 22.578 -6.079 1.00 0.00 H new ATOM 514 N VAL A 38 5.083 17.338 -5.698 1.00 0.00 N ATOM 515 CA VAL A 38 6.141 16.337 -5.635 1.00 0.00 C ATOM 516 C VAL A 38 5.794 15.116 -6.480 1.00 0.00 C ATOM 517 O VAL A 38 4.672 14.987 -6.969 1.00 0.00 O ATOM 518 CB VAL A 38 6.403 15.887 -4.186 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.626 17.091 -3.284 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.250 15.035 -3.676 1.00 0.00 C ATOM 0 H VAL A 38 4.178 17.016 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 38 7.043 16.805 -6.031 1.00 0.00 H new ATOM 0 HB VAL A 38 7.308 15.280 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.809 16.753 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.487 17.657 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.741 17.727 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.452 14.726 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.328 15.616 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.143 14.152 -4.307 1.00 0.00 H new ATOM 530 N GLU A 39 6.764 14.223 -6.647 1.00 0.00 N ATOM 531 CA GLU A 39 6.560 13.012 -7.434 1.00 0.00 C ATOM 532 C GLU A 39 7.084 11.786 -6.691 1.00 0.00 C ATOM 533 O GLU A 39 8.201 11.792 -6.173 1.00 0.00 O ATOM 534 CB GLU A 39 7.256 13.136 -8.791 1.00 0.00 C ATOM 535 CG GLU A 39 7.007 11.954 -9.712 1.00 0.00 C ATOM 536 CD GLU A 39 5.782 12.143 -10.586 1.00 0.00 C ATOM 537 OE1 GLU A 39 4.799 12.745 -10.106 1.00 0.00 O ATOM 538 OE2 GLU A 39 5.807 11.689 -11.749 1.00 0.00 O ATOM 0 H GLU A 39 7.698 14.315 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 39 5.489 12.889 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.915 14.047 -9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.329 13.242 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.881 11.802 -10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.886 11.051 -9.114 1.00 0.00 H new ATOM 545 N TRP A 40 6.270 10.738 -6.644 1.00 0.00 N ATOM 546 CA TRP A 40 6.650 9.505 -5.964 1.00 0.00 C ATOM 547 C TRP A 40 7.329 8.539 -6.929 1.00 0.00 C ATOM 548 O TRP A 40 6.978 8.473 -8.107 1.00 0.00 O ATOM 549 CB TRP A 40 5.421 8.843 -5.339 1.00 0.00 C ATOM 550 CG TRP A 40 4.754 9.690 -4.299 1.00 0.00 C ATOM 551 CD1 TRP A 40 3.876 10.714 -4.515 1.00 0.00 C ATOM 552 CD2 TRP A 40 4.912 9.588 -2.880 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.480 11.254 -3.316 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.100 10.581 -2.297 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.660 8.754 -2.044 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.017 10.760 -0.919 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.576 8.933 -0.677 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.759 9.929 -0.125 1.00 0.00 C ATOM 0 H TRP A 40 5.343 10.717 -7.068 1.00 0.00 H new ATOM 0 HA TRP A 40 7.358 9.758 -5.174 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.702 8.613 -6.125 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.717 7.895 -4.890 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.542 11.050 -5.486 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.829 12.031 -3.203 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.292 7.983 -2.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.389 11.528 -0.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.150 8.294 -0.022 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.714 10.043 0.948 1.00 0.00 H new ATOM 569 N LYS A 41 8.302 7.790 -6.423 1.00 0.00 N ATOM 570 CA LYS A 41 9.029 6.825 -7.239 1.00 0.00 C ATOM 571 C LYS A 41 9.232 5.516 -6.484 1.00 0.00 C ATOM 572 O LYS A 41 9.353 5.506 -5.258 1.00 0.00 O ATOM 573 CB LYS A 41 10.385 7.399 -7.658 1.00 0.00 C ATOM 574 CG LYS A 41 10.327 8.232 -8.927 1.00 0.00 C ATOM 575 CD LYS A 41 11.628 8.152 -9.706 1.00 0.00 C ATOM 576 CE LYS A 41 11.718 9.250 -10.755 1.00 0.00 C ATOM 577 NZ LYS A 41 12.060 10.568 -10.151 1.00 0.00 N ATOM 0 H LYS A 41 8.606 7.833 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 41 8.435 6.622 -8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.776 8.014 -6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.088 6.579 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.505 7.886 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.118 9.271 -8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.470 8.234 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.704 7.178 -10.190 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.472 8.984 -11.496 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.767 9.328 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.667 11.331 -10.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.658 10.626 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.094 10.668 -10.099 1.00 0.00 H new ATOM 591 N LYS A 42 9.269 4.412 -7.222 1.00 0.00 N ATOM 592 CA LYS A 42 9.460 3.096 -6.622 1.00 0.00 C ATOM 593 C LYS A 42 10.688 2.405 -7.206 1.00 0.00 C ATOM 594 O LYS A 42 10.710 1.185 -7.363 1.00 0.00 O ATOM 595 CB LYS A 42 8.219 2.228 -6.844 1.00 0.00 C ATOM 596 CG LYS A 42 8.197 0.971 -5.991 1.00 0.00 C ATOM 597 CD LYS A 42 6.866 0.246 -6.101 1.00 0.00 C ATOM 598 CE LYS A 42 6.869 -0.752 -7.249 1.00 0.00 C ATOM 599 NZ LYS A 42 5.649 -1.607 -7.243 1.00 0.00 N ATOM 0 H LYS A 42 9.169 4.402 -8.237 1.00 0.00 H new ATOM 0 HA LYS A 42 9.616 3.231 -5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.329 2.819 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.167 1.945 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.002 0.305 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.385 1.233 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.655 -0.273 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.066 0.972 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.932 -0.216 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.755 -1.383 -7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.832 -2.477 -7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.403 -1.854 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.860 -1.089 -7.678 1.00 0.00 H new ATOM 613 N GLY A 43 11.710 3.194 -7.526 1.00 0.00 N ATOM 614 CA GLY A 43 12.927 2.640 -8.087 1.00 0.00 C ATOM 615 C GLY A 43 13.387 3.385 -9.324 1.00 0.00 C ATOM 616 O GLY A 43 13.225 4.600 -9.439 1.00 0.00 O ATOM 0 H GLY A 43 11.716 4.207 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.716 2.669 -7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.763 1.592 -8.338 1.00 0.00 H new ATOM 620 N PRO A 44 13.979 2.650 -10.278 1.00 0.00 N ATOM 621 CA PRO A 44 14.477 3.229 -11.529 1.00 0.00 C ATOM 622 C PRO A 44 13.348 3.688 -12.445 1.00 0.00 C ATOM 623 O PRO A 44 13.590 4.146 -13.562 1.00 0.00 O ATOM 624 CB PRO A 44 15.251 2.075 -12.170 1.00 0.00 C ATOM 625 CG PRO A 44 14.631 0.843 -11.606 1.00 0.00 C ATOM 626 CD PRO A 44 14.206 1.197 -10.208 1.00 0.00 C ATOM 0 HA PRO A 44 15.080 4.120 -11.354 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.168 2.098 -13.257 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.313 2.129 -11.930 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.777 0.526 -12.205 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.341 0.016 -11.601 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.302 0.663 -9.915 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.975 0.945 -9.478 1.00 0.00 H new ATOM 634 N GLU A 45 12.114 3.562 -11.966 1.00 0.00 N ATOM 635 CA GLU A 45 10.949 3.964 -12.744 1.00 0.00 C ATOM 636 C GLU A 45 10.218 5.122 -12.071 1.00 0.00 C ATOM 637 O GLU A 45 10.496 5.463 -10.920 1.00 0.00 O ATOM 638 CB GLU A 45 9.995 2.781 -12.924 1.00 0.00 C ATOM 639 CG GLU A 45 10.347 1.889 -14.102 1.00 0.00 C ATOM 640 CD GLU A 45 11.493 0.944 -13.797 1.00 0.00 C ATOM 641 OE1 GLU A 45 11.391 0.188 -12.808 1.00 0.00 O ATOM 642 OE2 GLU A 45 12.491 0.960 -14.547 1.00 0.00 O ATOM 0 H GLU A 45 11.896 3.185 -11.044 1.00 0.00 H new ATOM 0 HA GLU A 45 11.295 4.295 -13.723 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.996 2.183 -12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.981 3.159 -13.056 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.470 1.309 -14.389 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.612 2.511 -14.957 1.00 0.00 H new ATOM 649 N THR A 46 9.281 5.726 -12.796 1.00 0.00 N ATOM 650 CA THR A 46 8.512 6.846 -12.271 1.00 0.00 C ATOM 651 C THR A 46 7.039 6.481 -12.123 1.00 0.00 C ATOM 652 O THR A 46 6.409 6.006 -13.068 1.00 0.00 O ATOM 653 CB THR A 46 8.632 8.085 -13.179 1.00 0.00 C ATOM 654 OG1 THR A 46 10.001 8.294 -13.544 1.00 0.00 O ATOM 655 CG2 THR A 46 8.093 9.323 -12.480 1.00 0.00 C ATOM 0 H THR A 46 9.037 5.457 -13.749 1.00 0.00 H new ATOM 0 HA THR A 46 8.926 7.081 -11.290 1.00 0.00 H new ATOM 0 HB THR A 46 8.040 7.909 -14.077 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.069 9.082 -14.122 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.189 10.185 -13.141 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.043 9.172 -12.230 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.661 9.501 -11.567 1.00 0.00 H new ATOM 663 N LEU A 47 6.496 6.705 -10.931 1.00 0.00 N ATOM 664 CA LEU A 47 5.096 6.399 -10.659 1.00 0.00 C ATOM 665 C LEU A 47 4.188 7.522 -11.150 1.00 0.00 C ATOM 666 O LEU A 47 4.661 8.534 -11.668 1.00 0.00 O ATOM 667 CB LEU A 47 4.885 6.176 -9.160 1.00 0.00 C ATOM 668 CG LEU A 47 5.423 4.860 -8.596 1.00 0.00 C ATOM 669 CD1 LEU A 47 5.086 4.737 -7.118 1.00 0.00 C ATOM 670 CD2 LEU A 47 4.863 3.678 -9.373 1.00 0.00 C ATOM 0 H LEU A 47 7.004 7.097 -10.138 1.00 0.00 H new ATOM 0 HA LEU A 47 4.838 5.487 -11.196 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.355 6.999 -8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.816 6.228 -8.952 1.00 0.00 H new ATOM 0 HG LEU A 47 6.508 4.857 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.476 3.795 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.536 5.566 -6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.004 4.762 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.257 2.750 -8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.776 3.676 -9.299 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.155 3.760 -10.420 1.00 0.00 H new ATOM 682 N ARG A 48 2.883 7.337 -10.981 1.00 0.00 N ATOM 683 CA ARG A 48 1.909 8.335 -11.406 1.00 0.00 C ATOM 684 C ARG A 48 0.662 8.286 -10.528 1.00 0.00 C ATOM 685 O ARG A 48 0.412 7.295 -9.842 1.00 0.00 O ATOM 686 CB ARG A 48 1.524 8.112 -12.870 1.00 0.00 C ATOM 687 CG ARG A 48 2.673 8.327 -13.841 1.00 0.00 C ATOM 688 CD ARG A 48 3.047 9.797 -13.947 1.00 0.00 C ATOM 689 NE ARG A 48 2.106 10.543 -14.778 1.00 0.00 N ATOM 690 CZ ARG A 48 1.018 11.138 -14.303 1.00 0.00 C ATOM 691 NH1 ARG A 48 0.734 11.075 -13.010 1.00 0.00 N ATOM 692 NH2 ARG A 48 0.210 11.798 -15.123 1.00 0.00 N ATOM 0 H ARG A 48 2.476 6.506 -10.553 1.00 0.00 H new ATOM 0 HA ARG A 48 2.366 9.319 -11.303 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.146 7.096 -12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.709 8.787 -13.130 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.540 7.753 -13.513 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.394 7.950 -14.825 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.077 10.236 -12.950 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.050 9.887 -14.365 1.00 0.00 H new ATOM 0 HE ARG A 48 2.295 10.611 -15.778 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.352 10.568 -12.376 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.103 11.533 -12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.424 11.849 -16.119 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.626 12.255 -14.757 1.00 0.00 H new ATOM 706 N ASP A 49 -0.116 9.363 -10.555 1.00 0.00 N ATOM 707 CA ASP A 49 -1.338 9.443 -9.762 1.00 0.00 C ATOM 708 C ASP A 49 -2.565 9.172 -10.626 1.00 0.00 C ATOM 709 O ASP A 49 -2.927 9.982 -11.479 1.00 0.00 O ATOM 710 CB ASP A 49 -1.455 10.818 -9.104 1.00 0.00 C ATOM 711 CG ASP A 49 -1.839 11.902 -10.093 1.00 0.00 C ATOM 712 OD1 ASP A 49 -0.926 12.507 -10.694 1.00 0.00 O ATOM 713 OD2 ASP A 49 -3.052 12.146 -10.265 1.00 0.00 O ATOM 0 H ASP A 49 0.077 10.192 -11.117 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.288 8.680 -8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.200 10.775 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.505 11.076 -8.637 1.00 0.00 H new ATOM 756 N TYR A 53 -2.174 3.295 -8.077 1.00 0.00 N ATOM 757 CA TYR A 53 -1.461 4.216 -7.200 1.00 0.00 C ATOM 758 C TYR A 53 -2.296 5.463 -6.925 1.00 0.00 C ATOM 759 O TYR A 53 -2.612 6.227 -7.837 1.00 0.00 O ATOM 760 CB TYR A 53 -0.122 4.614 -7.824 1.00 0.00 C ATOM 761 CG TYR A 53 0.915 3.514 -7.783 1.00 0.00 C ATOM 762 CD1 TYR A 53 0.956 2.533 -8.766 1.00 0.00 C ATOM 763 CD2 TYR A 53 1.855 3.457 -6.762 1.00 0.00 C ATOM 764 CE1 TYR A 53 1.901 1.527 -8.732 1.00 0.00 C ATOM 765 CE2 TYR A 53 2.805 2.454 -6.720 1.00 0.00 C ATOM 766 CZ TYR A 53 2.824 1.491 -7.708 1.00 0.00 C ATOM 767 OH TYR A 53 3.768 0.491 -7.671 1.00 0.00 O ATOM 0 HA TYR A 53 -1.277 3.707 -6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.287 4.908 -8.861 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.267 5.488 -7.302 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.236 2.558 -9.571 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.843 4.210 -5.987 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.917 0.772 -9.504 1.00 0.00 H new ATOM 0 HE2 TYR A 53 3.528 2.424 -5.919 1.00 0.00 H new ATOM 0 HH TYR A 53 4.618 0.831 -8.020 1.00 0.00 H new ATOM 777 N SER A 54 -2.650 5.662 -5.659 1.00 0.00 N ATOM 778 CA SER A 54 -3.451 6.814 -5.261 1.00 0.00 C ATOM 779 C SER A 54 -2.703 7.670 -4.243 1.00 0.00 C ATOM 780 O SER A 54 -2.242 7.173 -3.215 1.00 0.00 O ATOM 781 CB SER A 54 -4.787 6.354 -4.675 1.00 0.00 C ATOM 782 OG SER A 54 -5.781 6.261 -5.681 1.00 0.00 O ATOM 0 H SER A 54 -2.395 5.040 -4.892 1.00 0.00 H new ATOM 0 HA SER A 54 -3.640 7.418 -6.148 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.661 5.385 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.110 7.054 -3.904 1.00 0.00 H new ATOM 0 HG SER A 54 -6.625 5.963 -5.281 1.00 0.00 H new ATOM 788 N LEU A 55 -2.588 8.960 -4.537 1.00 0.00 N ATOM 789 CA LEU A 55 -1.896 9.888 -3.649 1.00 0.00 C ATOM 790 C LEU A 55 -2.662 11.202 -3.531 1.00 0.00 C ATOM 791 O LEU A 55 -3.438 11.563 -4.416 1.00 0.00 O ATOM 792 CB LEU A 55 -0.479 10.154 -4.159 1.00 0.00 C ATOM 793 CG LEU A 55 -0.305 10.171 -5.678 1.00 0.00 C ATOM 794 CD1 LEU A 55 0.849 11.079 -6.073 1.00 0.00 C ATOM 795 CD2 LEU A 55 -0.082 8.761 -6.206 1.00 0.00 C ATOM 0 H LEU A 55 -2.965 9.387 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.839 9.432 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.147 11.114 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.183 9.393 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.219 10.564 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.958 11.078 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.648 12.094 -5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.770 10.717 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.040 8.793 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.815 8.340 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.941 8.139 -5.956 1.00 0.00 H new ATOM 807 N LYS A 56 -2.436 11.916 -2.433 1.00 0.00 N ATOM 808 CA LYS A 56 -3.101 13.193 -2.200 1.00 0.00 C ATOM 809 C LYS A 56 -2.131 14.213 -1.613 1.00 0.00 C ATOM 810 O LYS A 56 -1.207 13.854 -0.884 1.00 0.00 O ATOM 811 CB LYS A 56 -4.293 13.006 -1.259 1.00 0.00 C ATOM 812 CG LYS A 56 -5.060 14.288 -0.987 1.00 0.00 C ATOM 813 CD LYS A 56 -5.870 14.721 -2.198 1.00 0.00 C ATOM 814 CE LYS A 56 -6.634 16.008 -1.927 1.00 0.00 C ATOM 815 NZ LYS A 56 -5.789 17.213 -2.152 1.00 0.00 N ATOM 0 H LYS A 56 -1.797 11.632 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.458 13.568 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.973 12.270 -1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.938 12.597 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.726 14.141 -0.136 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.362 15.079 -0.713 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.205 14.864 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.570 13.931 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.510 16.053 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.996 16.005 -0.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.364 18.070 -2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.003 17.218 -1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.409 17.194 -3.120 1.00 0.00 H new ATOM 829 N GLN A 57 -2.349 15.484 -1.935 1.00 0.00 N ATOM 830 CA GLN A 57 -1.493 16.554 -1.438 1.00 0.00 C ATOM 831 C GLN A 57 -2.149 17.275 -0.264 1.00 0.00 C ATOM 832 O GLN A 57 -3.372 17.267 -0.123 1.00 0.00 O ATOM 833 CB GLN A 57 -1.186 17.551 -2.557 1.00 0.00 C ATOM 834 CG GLN A 57 -0.061 18.517 -2.220 1.00 0.00 C ATOM 835 CD GLN A 57 1.309 17.879 -2.337 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.475 16.853 -2.996 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.301 18.486 -1.695 1.00 0.00 N ATOM 0 H GLN A 57 -3.110 15.797 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.560 16.108 -1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.923 17.001 -3.460 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.088 18.121 -2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.115 19.378 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.199 18.890 -1.205 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.118 19.335 -1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.245 18.103 -1.737 1.00 0.00 H new ATOM 846 N ASP A 58 -1.328 17.896 0.575 1.00 0.00 N ATOM 847 CA ASP A 58 -1.828 18.623 1.736 1.00 0.00 C ATOM 848 C ASP A 58 -0.779 19.599 2.260 1.00 0.00 C ATOM 849 O ASP A 58 0.419 19.410 2.050 1.00 0.00 O ATOM 850 CB ASP A 58 -2.229 17.645 2.842 1.00 0.00 C ATOM 851 CG ASP A 58 -3.649 17.138 2.680 1.00 0.00 C ATOM 852 OD1 ASP A 58 -4.578 17.972 2.668 1.00 0.00 O ATOM 853 OD2 ASP A 58 -3.831 15.908 2.565 1.00 0.00 O ATOM 0 H ASP A 58 -0.313 17.911 0.473 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.705 19.192 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.542 16.799 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.130 18.136 3.810 1.00 0.00 H new ATOM 858 N GLY A 59 -1.238 20.644 2.941 1.00 0.00 N ATOM 859 CA GLY A 59 -0.327 21.635 3.483 1.00 0.00 C ATOM 860 C GLY A 59 0.945 21.016 4.029 1.00 0.00 C ATOM 861 O GLY A 59 0.919 20.311 5.037 1.00 0.00 O ATOM 0 H GLY A 59 -2.225 20.822 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.072 22.354 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.828 22.189 4.277 1.00 0.00 H new ATOM 865 N THR A 60 2.064 21.279 3.360 1.00 0.00 N ATOM 866 CA THR A 60 3.351 20.741 3.781 1.00 0.00 C ATOM 867 C THR A 60 3.214 19.301 4.261 1.00 0.00 C ATOM 868 O THR A 60 3.801 18.915 5.272 1.00 0.00 O ATOM 869 CB THR A 60 3.972 21.589 4.908 1.00 0.00 C ATOM 870 OG1 THR A 60 3.077 21.651 6.024 1.00 0.00 O ATOM 871 CG2 THR A 60 4.281 22.996 4.419 1.00 0.00 C ATOM 0 H THR A 60 2.104 21.862 2.524 1.00 0.00 H new ATOM 0 HA THR A 60 4.006 20.770 2.911 1.00 0.00 H new ATOM 0 HB THR A 60 4.904 21.117 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.479 22.190 6.736 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.718 23.576 5.232 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.985 22.946 3.589 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.361 23.476 4.086 1.00 0.00 H new ATOM 879 N ARG A 61 2.437 18.510 3.529 1.00 0.00 N ATOM 880 CA ARG A 61 2.223 17.111 3.880 1.00 0.00 C ATOM 881 C ARG A 61 1.701 16.323 2.682 1.00 0.00 C ATOM 882 O ARG A 61 0.836 16.796 1.945 1.00 0.00 O ATOM 883 CB ARG A 61 1.237 17.001 5.045 1.00 0.00 C ATOM 884 CG ARG A 61 1.904 17.020 6.411 1.00 0.00 C ATOM 885 CD ARG A 61 0.927 16.640 7.513 1.00 0.00 C ATOM 886 NE ARG A 61 1.611 16.299 8.757 1.00 0.00 N ATOM 887 CZ ARG A 61 2.206 17.195 9.538 1.00 0.00 C ATOM 888 NH1 ARG A 61 2.201 18.478 9.204 1.00 0.00 N ATOM 889 NH2 ARG A 61 2.808 16.807 10.655 1.00 0.00 N ATOM 0 H ARG A 61 1.945 18.814 2.689 1.00 0.00 H new ATOM 0 HA ARG A 61 3.181 16.688 4.182 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.525 17.824 4.986 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.667 16.078 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.746 16.328 6.416 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.307 18.014 6.607 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.242 17.469 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.324 15.793 7.187 1.00 0.00 H new ATOM 0 HE ARG A 61 1.633 15.320 9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.740 18.780 8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.658 19.163 9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.814 15.821 10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.264 17.495 11.254 1.00 0.00 H new ATOM 903 N CYS A 62 2.234 15.120 2.495 1.00 0.00 N ATOM 904 CA CYS A 62 1.823 14.267 1.386 1.00 0.00 C ATOM 905 C CYS A 62 1.424 12.882 1.884 1.00 0.00 C ATOM 906 O CYS A 62 1.845 12.454 2.959 1.00 0.00 O ATOM 907 CB CYS A 62 2.953 14.148 0.362 1.00 0.00 C ATOM 908 SG CYS A 62 3.431 15.718 -0.396 1.00 0.00 S ATOM 0 H CYS A 62 2.951 14.714 3.097 1.00 0.00 H new ATOM 0 HA CYS A 62 0.956 14.725 0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.825 13.711 0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.646 13.456 -0.423 1.00 0.00 H new ATOM 0 HG CYS A 62 4.692 15.682 -0.711 1.00 0.00 H new ATOM 914 N GLU A 63 0.609 12.187 1.097 1.00 0.00 N ATOM 915 CA GLU A 63 0.151 10.851 1.461 1.00 0.00 C ATOM 916 C GLU A 63 0.060 9.954 0.230 1.00 0.00 C ATOM 917 O GLU A 63 -0.713 10.221 -0.691 1.00 0.00 O ATOM 918 CB GLU A 63 -1.211 10.926 2.154 1.00 0.00 C ATOM 919 CG GLU A 63 -1.787 9.566 2.512 1.00 0.00 C ATOM 920 CD GLU A 63 -3.128 9.666 3.212 1.00 0.00 C ATOM 921 OE1 GLU A 63 -3.868 10.636 2.942 1.00 0.00 O ATOM 922 OE2 GLU A 63 -3.439 8.774 4.029 1.00 0.00 O ATOM 0 H GLU A 63 0.252 12.527 0.204 1.00 0.00 H new ATOM 0 HA GLU A 63 0.877 10.420 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.115 11.521 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.912 11.448 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.899 8.973 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.084 9.036 3.155 1.00 0.00 H new ATOM 929 N LEU A 64 0.854 8.889 0.222 1.00 0.00 N ATOM 930 CA LEU A 64 0.864 7.951 -0.896 1.00 0.00 C ATOM 931 C LEU A 64 0.277 6.605 -0.482 1.00 0.00 C ATOM 932 O LEU A 64 0.789 5.947 0.423 1.00 0.00 O ATOM 933 CB LEU A 64 2.290 7.761 -1.415 1.00 0.00 C ATOM 934 CG LEU A 64 2.470 6.714 -2.515 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.829 7.187 -3.811 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.946 6.412 -2.728 1.00 0.00 C ATOM 0 H LEU A 64 1.499 8.653 0.976 1.00 0.00 H new ATOM 0 HA LEU A 64 0.247 8.366 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.649 8.719 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.928 7.489 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 64 1.974 5.796 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.967 6.430 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.764 7.352 -3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.297 8.119 -4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.055 5.665 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.466 7.325 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.376 6.030 -1.802 1.00 0.00 H new ATOM 948 N GLN A 65 -0.797 6.202 -1.152 1.00 0.00 N ATOM 949 CA GLN A 65 -1.451 4.933 -0.855 1.00 0.00 C ATOM 950 C GLN A 65 -1.395 3.996 -2.057 1.00 0.00 C ATOM 951 O GLN A 65 -1.929 4.305 -3.122 1.00 0.00 O ATOM 952 CB GLN A 65 -2.906 5.170 -0.445 1.00 0.00 C ATOM 953 CG GLN A 65 -3.069 5.593 1.005 1.00 0.00 C ATOM 954 CD GLN A 65 -4.523 5.696 1.423 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.423 5.704 0.584 1.00 0.00 O ATOM 956 NE2 GLN A 65 -4.760 5.776 2.728 1.00 0.00 N ATOM 0 H GLN A 65 -1.233 6.735 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.919 4.464 -0.028 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.336 5.937 -1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.476 4.256 -0.614 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.560 4.875 1.648 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.583 6.557 1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.983 5.766 3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.719 5.848 3.069 1.00 0.00 H new ATOM 965 N ILE A 66 -0.744 2.852 -1.878 1.00 0.00 N ATOM 966 CA ILE A 66 -0.618 1.870 -2.948 1.00 0.00 C ATOM 967 C ILE A 66 -1.625 0.737 -2.775 1.00 0.00 C ATOM 968 O ILE A 66 -1.627 0.044 -1.758 1.00 0.00 O ATOM 969 CB ILE A 66 0.802 1.276 -3.002 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.847 2.392 -2.955 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.975 0.433 -4.257 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.145 1.977 -2.298 1.00 0.00 C ATOM 0 H ILE A 66 -0.296 2.582 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.820 2.393 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 66 0.945 0.633 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.054 2.727 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.433 3.244 -2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.983 0.020 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.249 -0.380 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.816 1.055 -5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.839 2.818 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.951 1.669 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.582 1.145 -2.849 1.00 0.00 H new ATOM 984 N HIS A 67 -2.478 0.554 -3.778 1.00 0.00 N ATOM 985 CA HIS A 67 -3.489 -0.497 -3.739 1.00 0.00 C ATOM 986 C HIS A 67 -2.939 -1.801 -4.308 1.00 0.00 C ATOM 987 O HIS A 67 -2.099 -1.791 -5.208 1.00 0.00 O ATOM 988 CB HIS A 67 -4.731 -0.068 -4.521 1.00 0.00 C ATOM 989 CG HIS A 67 -5.482 1.059 -3.882 1.00 0.00 C ATOM 990 ND1 HIS A 67 -5.894 1.039 -2.567 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.892 2.247 -4.386 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.528 2.165 -2.289 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.540 2.915 -3.376 1.00 0.00 N ATOM 0 H HIS A 67 -2.489 1.119 -4.627 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.765 -0.664 -2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.432 0.229 -5.526 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.397 -0.924 -4.626 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.738 2.603 -5.394 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.962 2.427 -1.335 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.962 3.840 -3.453 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.418 -2.921 -3.778 1.00 0.00 N ATOM 1003 CA ASP A 68 -2.975 -4.233 -4.234 1.00 0.00 C ATOM 1004 C ASP A 68 -1.491 -4.437 -3.944 1.00 0.00 C ATOM 1005 O ASP A 68 -0.707 -4.738 -4.844 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.241 -4.393 -5.732 1.00 0.00 C ATOM 1007 CG ASP A 68 -4.608 -4.983 -6.017 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -5.097 -5.779 -5.188 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -5.191 -4.647 -7.069 1.00 0.00 O ATOM 0 H ASP A 68 -4.113 -2.946 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.541 -4.989 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.159 -3.421 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.474 -5.033 -6.168 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.113 -4.269 -2.682 1.00 0.00 N ATOM 1015 CA LEU A 69 0.278 -4.434 -2.272 1.00 0.00 C ATOM 1016 C LEU A 69 0.785 -5.831 -2.615 1.00 0.00 C ATOM 1017 O LEU A 69 -0.001 -6.762 -2.791 1.00 0.00 O ATOM 1018 CB LEU A 69 0.421 -4.182 -0.770 1.00 0.00 C ATOM 1019 CG LEU A 69 0.649 -2.729 -0.352 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.587 -2.593 1.162 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.984 -2.225 -0.880 1.00 0.00 C ATOM 0 H LEU A 69 -1.749 -4.019 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 69 0.880 -3.706 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.479 -4.545 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.253 -4.781 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.144 -2.118 -0.784 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.752 -1.552 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.393 -2.913 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.358 -3.216 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.129 -1.189 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.790 -2.839 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.991 -2.285 -1.968 1.00 0.00 H new ATOM 1033 N SER A 70 2.104 -5.969 -2.708 1.00 0.00 N ATOM 1034 CA SER A 70 2.717 -7.253 -3.032 1.00 0.00 C ATOM 1035 C SER A 70 4.206 -7.243 -2.700 1.00 0.00 C ATOM 1036 O SER A 70 4.866 -6.207 -2.785 1.00 0.00 O ATOM 1037 CB SER A 70 2.515 -7.578 -4.513 1.00 0.00 C ATOM 1038 OG SER A 70 3.550 -7.020 -5.303 1.00 0.00 O ATOM 0 H SER A 70 2.768 -5.209 -2.564 1.00 0.00 H new ATOM 0 HA SER A 70 2.234 -8.022 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.490 -8.659 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.551 -7.192 -4.845 1.00 0.00 H new ATOM 0 HG SER A 70 3.399 -7.243 -6.245 1.00 0.00 H new ATOM 1044 N VAL A 71 4.729 -8.405 -2.321 1.00 0.00 N ATOM 1045 CA VAL A 71 6.140 -8.532 -1.977 1.00 0.00 C ATOM 1046 C VAL A 71 7.021 -7.817 -2.995 1.00 0.00 C ATOM 1047 O VAL A 71 8.089 -7.308 -2.659 1.00 0.00 O ATOM 1048 CB VAL A 71 6.566 -10.009 -1.892 1.00 0.00 C ATOM 1049 CG1 VAL A 71 6.125 -10.618 -0.570 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.999 -10.795 -3.065 1.00 0.00 C ATOM 0 H VAL A 71 4.197 -9.272 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 71 6.270 -8.068 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 71 7.654 -10.058 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.435 -11.662 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.583 -10.071 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.040 -10.558 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.310 -11.837 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.911 -10.739 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.370 -10.373 -3.999 1.00 0.00 H new ATOM 1060 N ALA A 72 6.565 -7.784 -4.243 1.00 0.00 N ATOM 1061 CA ALA A 72 7.310 -7.130 -5.312 1.00 0.00 C ATOM 1062 C ALA A 72 7.397 -5.625 -5.079 1.00 0.00 C ATOM 1063 O ALA A 72 8.431 -5.007 -5.330 1.00 0.00 O ATOM 1064 CB ALA A 72 6.666 -7.421 -6.659 1.00 0.00 C ATOM 0 H ALA A 72 5.683 -8.203 -4.539 1.00 0.00 H new ATOM 0 HA ALA A 72 8.324 -7.531 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.233 -6.926 -7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.661 -8.497 -6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.642 -7.049 -6.660 1.00 0.00 H new ATOM 1070 N ASP A 73 6.304 -5.042 -4.598 1.00 0.00 N ATOM 1071 CA ASP A 73 6.257 -3.609 -4.331 1.00 0.00 C ATOM 1072 C ASP A 73 7.223 -3.233 -3.211 1.00 0.00 C ATOM 1073 O ASP A 73 7.833 -2.165 -3.237 1.00 0.00 O ATOM 1074 CB ASP A 73 4.836 -3.184 -3.960 1.00 0.00 C ATOM 1075 CG ASP A 73 3.930 -3.072 -5.171 1.00 0.00 C ATOM 1076 OD1 ASP A 73 4.112 -3.860 -6.122 1.00 0.00 O ATOM 1077 OD2 ASP A 73 3.041 -2.195 -5.168 1.00 0.00 O ATOM 0 H ASP A 73 5.439 -5.539 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 73 6.559 -3.085 -5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.415 -3.906 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.870 -2.224 -3.445 1.00 0.00 H new ATOM 1082 N ALA A 74 7.354 -4.118 -2.229 1.00 0.00 N ATOM 1083 CA ALA A 74 8.245 -3.879 -1.100 1.00 0.00 C ATOM 1084 C ALA A 74 9.669 -3.605 -1.573 1.00 0.00 C ATOM 1085 O ALA A 74 10.409 -4.527 -1.914 1.00 0.00 O ATOM 1086 CB ALA A 74 8.223 -5.067 -0.150 1.00 0.00 C ATOM 0 H ALA A 74 6.855 -5.007 -2.192 1.00 0.00 H new ATOM 0 HA ALA A 74 7.890 -2.996 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.893 -4.875 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.209 -5.217 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.551 -5.962 -0.679 1.00 0.00 H new ATOM 1092 N GLY A 75 10.046 -2.330 -1.593 1.00 0.00 N ATOM 1093 CA GLY A 75 11.380 -1.958 -2.027 1.00 0.00 C ATOM 1094 C GLY A 75 11.837 -0.641 -1.431 1.00 0.00 C ATOM 1095 O GLY A 75 12.047 -0.540 -0.223 1.00 0.00 O ATOM 0 H GLY A 75 9.452 -1.549 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.082 -2.743 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.398 -1.887 -3.115 1.00 0.00 H new ATOM 1099 N GLU A 76 11.993 0.369 -2.281 1.00 0.00 N ATOM 1100 CA GLU A 76 12.430 1.685 -1.831 1.00 0.00 C ATOM 1101 C GLU A 76 11.658 2.790 -2.545 1.00 0.00 C ATOM 1102 O GLU A 76 11.813 2.992 -3.750 1.00 0.00 O ATOM 1103 CB GLU A 76 13.931 1.858 -2.074 1.00 0.00 C ATOM 1104 CG GLU A 76 14.462 3.220 -1.658 1.00 0.00 C ATOM 1105 CD GLU A 76 15.952 3.206 -1.380 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.364 2.565 -0.391 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.706 3.835 -2.152 1.00 0.00 O ATOM 0 H GLU A 76 11.823 0.301 -3.284 1.00 0.00 H new ATOM 0 HA GLU A 76 12.230 1.760 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.471 1.085 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.139 1.704 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.250 3.944 -2.445 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.933 3.555 -0.766 1.00 0.00 H new ATOM 1114 N TYR A 77 10.824 3.501 -1.795 1.00 0.00 N ATOM 1115 CA TYR A 77 10.024 4.583 -2.356 1.00 0.00 C ATOM 1116 C TYR A 77 10.694 5.934 -2.121 1.00 0.00 C ATOM 1117 O TYR A 77 10.876 6.360 -0.981 1.00 0.00 O ATOM 1118 CB TYR A 77 8.624 4.582 -1.740 1.00 0.00 C ATOM 1119 CG TYR A 77 7.783 3.394 -2.150 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.818 2.210 -1.424 1.00 0.00 C ATOM 1121 CD2 TYR A 77 6.954 3.455 -3.263 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.053 1.122 -1.794 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.183 2.373 -3.640 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.236 1.208 -2.903 1.00 0.00 C ATOM 1125 OH TYR A 77 5.472 0.127 -3.276 1.00 0.00 O ATOM 0 H TYR A 77 10.684 3.347 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 77 9.941 4.420 -3.431 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.714 4.595 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.109 5.498 -2.028 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.455 2.139 -0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.912 4.365 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.094 0.209 -1.219 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.542 2.439 -4.507 1.00 0.00 H new ATOM 0 HH TYR A 77 5.117 -0.314 -2.476 1.00 0.00 H new ATOM 1135 N SER A 78 11.058 6.603 -3.211 1.00 0.00 N ATOM 1136 CA SER A 78 11.711 7.904 -3.126 1.00 0.00 C ATOM 1137 C SER A 78 10.818 8.998 -3.704 1.00 0.00 C ATOM 1138 O SER A 78 10.206 8.823 -4.758 1.00 0.00 O ATOM 1139 CB SER A 78 13.049 7.876 -3.867 1.00 0.00 C ATOM 1140 OG SER A 78 13.789 6.713 -3.540 1.00 0.00 O ATOM 0 H SER A 78 10.912 6.266 -4.162 1.00 0.00 H new ATOM 0 HA SER A 78 11.892 8.125 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.873 7.909 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.628 8.763 -3.611 1.00 0.00 H new ATOM 0 HG SER A 78 14.639 6.718 -4.028 1.00 0.00 H new ATOM 1146 N CYS A 79 10.750 10.127 -3.007 1.00 0.00 N ATOM 1147 CA CYS A 79 9.932 11.251 -3.450 1.00 0.00 C ATOM 1148 C CYS A 79 10.806 12.439 -3.838 1.00 0.00 C ATOM 1149 O CYS A 79 11.565 12.958 -3.020 1.00 0.00 O ATOM 1150 CB CYS A 79 8.953 11.660 -2.349 1.00 0.00 C ATOM 1151 SG CYS A 79 7.505 12.564 -2.947 1.00 0.00 S ATOM 0 H CYS A 79 11.251 10.288 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 79 9.369 10.936 -4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.618 10.765 -1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.479 12.278 -1.621 1.00 0.00 H new ATOM 0 HG CYS A 79 7.549 12.644 -4.244 1.00 0.00 H new ATOM 1157 N MET A 80 10.694 12.864 -5.093 1.00 0.00 N ATOM 1158 CA MET A 80 11.474 13.991 -5.590 1.00 0.00 C ATOM 1159 C MET A 80 10.672 15.286 -5.508 1.00 0.00 C ATOM 1160 O MET A 80 9.532 15.350 -5.970 1.00 0.00 O ATOM 1161 CB MET A 80 11.912 13.739 -7.034 1.00 0.00 C ATOM 1162 CG MET A 80 12.698 12.450 -7.214 1.00 0.00 C ATOM 1163 SD MET A 80 11.658 10.981 -7.108 1.00 0.00 S ATOM 1164 CE MET A 80 12.789 9.820 -6.347 1.00 0.00 C ATOM 0 H MET A 80 10.071 12.445 -5.783 1.00 0.00 H new ATOM 0 HA MET A 80 12.359 14.093 -4.962 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.029 13.709 -7.673 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.522 14.577 -7.372 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.199 12.467 -8.182 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.477 12.395 -6.453 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.315 8.841 -6.280 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.694 9.744 -6.951 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.048 10.167 -5.347 1.00 0.00 H new ATOM 1174 N CYS A 81 11.273 16.313 -4.919 1.00 0.00 N ATOM 1175 CA CYS A 81 10.614 17.606 -4.777 1.00 0.00 C ATOM 1176 C CYS A 81 11.544 18.740 -5.195 1.00 0.00 C ATOM 1177 O CYS A 81 12.347 19.224 -4.399 1.00 0.00 O ATOM 1178 CB CYS A 81 10.156 17.812 -3.332 1.00 0.00 C ATOM 1179 SG CYS A 81 9.445 19.443 -3.008 1.00 0.00 S ATOM 0 H CYS A 81 12.216 16.276 -4.532 1.00 0.00 H new ATOM 0 HA CYS A 81 9.743 17.616 -5.432 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.417 17.050 -3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 81 11.006 17.660 -2.667 1.00 0.00 H new ATOM 0 HG CYS A 81 10.387 20.264 -2.651 1.00 0.00 H new ATOM 1185 N GLY A 82 11.430 19.159 -6.452 1.00 0.00 N ATOM 1186 CA GLY A 82 12.268 20.232 -6.955 1.00 0.00 C ATOM 1187 C GLY A 82 13.733 19.846 -7.010 1.00 0.00 C ATOM 1188 O GLY A 82 14.229 19.415 -8.050 1.00 0.00 O ATOM 0 H GLY A 82 10.773 18.775 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.932 20.514 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.150 21.109 -6.319 1.00 0.00 H new ATOM 1192 N GLN A 83 14.427 20.003 -5.887 1.00 0.00 N ATOM 1193 CA GLN A 83 15.844 19.670 -5.813 1.00 0.00 C ATOM 1194 C GLN A 83 16.099 18.611 -4.746 1.00 0.00 C ATOM 1195 O GLN A 83 16.875 17.679 -4.957 1.00 0.00 O ATOM 1196 CB GLN A 83 16.669 20.923 -5.511 1.00 0.00 C ATOM 1197 CG GLN A 83 16.743 21.897 -6.676 1.00 0.00 C ATOM 1198 CD GLN A 83 17.468 21.318 -7.875 1.00 0.00 C ATOM 1199 OE1 GLN A 83 18.659 21.560 -8.071 1.00 0.00 O ATOM 1200 NE2 GLN A 83 16.751 20.549 -8.686 1.00 0.00 N ATOM 0 H GLN A 83 14.031 20.358 -5.017 1.00 0.00 H new ATOM 0 HA GLN A 83 16.148 19.267 -6.779 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.239 21.432 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.680 20.624 -5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.733 22.183 -6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.251 22.806 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 83 15.766 20.375 -8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 83 17.185 20.132 -9.510 1.00 0.00 H new ATOM 1209 N GLU A 84 15.441 18.760 -3.601 1.00 0.00 N ATOM 1210 CA GLU A 84 15.598 17.816 -2.501 1.00 0.00 C ATOM 1211 C GLU A 84 14.945 16.477 -2.835 1.00 0.00 C ATOM 1212 O GLU A 84 14.074 16.399 -3.701 1.00 0.00 O ATOM 1213 CB GLU A 84 14.990 18.386 -1.218 1.00 0.00 C ATOM 1214 CG GLU A 84 15.756 19.572 -0.656 1.00 0.00 C ATOM 1215 CD GLU A 84 15.853 20.723 -1.638 1.00 0.00 C ATOM 1216 OE1 GLU A 84 14.808 21.115 -2.198 1.00 0.00 O ATOM 1217 OE2 GLU A 84 16.974 21.232 -1.846 1.00 0.00 O ATOM 0 H GLU A 84 14.794 19.525 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 84 16.665 17.653 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.962 18.689 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.950 17.600 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.267 19.917 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 84 16.760 19.252 -0.377 1.00 0.00 H new ATOM 1224 N ARG A 85 15.374 15.427 -2.143 1.00 0.00 N ATOM 1225 CA ARG A 85 14.833 14.092 -2.367 1.00 0.00 C ATOM 1226 C ARG A 85 14.960 13.236 -1.110 1.00 0.00 C ATOM 1227 O ARG A 85 15.825 13.475 -0.267 1.00 0.00 O ATOM 1228 CB ARG A 85 15.556 13.415 -3.533 1.00 0.00 C ATOM 1229 CG ARG A 85 15.036 12.021 -3.845 1.00 0.00 C ATOM 1230 CD ARG A 85 15.927 11.306 -4.848 1.00 0.00 C ATOM 1231 NE ARG A 85 17.044 10.625 -4.198 1.00 0.00 N ATOM 1232 CZ ARG A 85 17.791 9.703 -4.797 1.00 0.00 C ATOM 1233 NH1 ARG A 85 17.542 9.355 -6.051 1.00 0.00 N ATOM 1234 NH2 ARG A 85 18.790 9.128 -4.140 1.00 0.00 N ATOM 0 H ARG A 85 16.095 15.475 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 85 13.776 14.192 -2.612 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.457 14.038 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.620 13.354 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.980 11.438 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 85 14.023 12.090 -4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.335 10.581 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.312 12.027 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 85 17.263 10.870 -3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.775 9.795 -6.560 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.117 8.647 -6.508 1.00 0.00 H new ATOM 0 HH21 ARG A 85 18.985 9.393 -3.175 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.363 8.421 -4.600 1.00 0.00 H new ATOM 1248 N THR A 86 14.090 12.238 -0.990 1.00 0.00 N ATOM 1249 CA THR A 86 14.103 11.348 0.164 1.00 0.00 C ATOM 1250 C THR A 86 13.773 9.916 -0.242 1.00 0.00 C ATOM 1251 O THR A 86 13.251 9.674 -1.330 1.00 0.00 O ATOM 1252 CB THR A 86 13.101 11.808 1.240 1.00 0.00 C ATOM 1253 OG1 THR A 86 13.248 11.010 2.420 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.672 11.706 0.727 1.00 0.00 C ATOM 0 H THR A 86 13.368 12.026 -1.678 1.00 0.00 H new ATOM 0 HA THR A 86 15.111 11.383 0.578 1.00 0.00 H new ATOM 0 HB THR A 86 13.311 12.851 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.328 11.595 3.202 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.982 12.036 1.504 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.556 12.337 -0.154 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.453 10.671 0.463 1.00 0.00 H new ATOM 1262 N SER A 87 14.081 8.970 0.639 1.00 0.00 N ATOM 1263 CA SER A 87 13.820 7.561 0.370 1.00 0.00 C ATOM 1264 C SER A 87 13.210 6.878 1.591 1.00 0.00 C ATOM 1265 O SER A 87 13.472 7.268 2.729 1.00 0.00 O ATOM 1266 CB SER A 87 15.112 6.848 -0.034 1.00 0.00 C ATOM 1267 OG SER A 87 16.090 6.949 0.986 1.00 0.00 O ATOM 0 H SER A 87 14.512 9.154 1.545 1.00 0.00 H new ATOM 0 HA SER A 87 13.108 7.501 -0.453 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.903 5.798 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.498 7.282 -0.956 1.00 0.00 H new ATOM 0 HG SER A 87 16.905 6.484 0.704 1.00 0.00 H new ATOM 1273 N ALA A 88 12.395 5.858 1.346 1.00 0.00 N ATOM 1274 CA ALA A 88 11.750 5.119 2.424 1.00 0.00 C ATOM 1275 C ALA A 88 11.625 3.640 2.078 1.00 0.00 C ATOM 1276 O ALA A 88 11.253 3.281 0.960 1.00 0.00 O ATOM 1277 CB ALA A 88 10.380 5.711 2.722 1.00 0.00 C ATOM 0 H ALA A 88 12.166 5.524 0.410 1.00 0.00 H new ATOM 0 HA ALA A 88 12.373 5.205 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.909 5.150 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.491 6.753 3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.757 5.655 1.829 1.00 0.00 H new ATOM 1283 N THR A 89 11.938 2.782 3.044 1.00 0.00 N ATOM 1284 CA THR A 89 11.863 1.341 2.841 1.00 0.00 C ATOM 1285 C THR A 89 10.535 0.784 3.340 1.00 0.00 C ATOM 1286 O THR A 89 10.281 0.740 4.545 1.00 0.00 O ATOM 1287 CB THR A 89 13.015 0.611 3.559 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.268 1.201 3.197 1.00 0.00 O ATOM 1289 CG2 THR A 89 13.022 -0.868 3.204 1.00 0.00 C ATOM 0 H THR A 89 12.246 3.061 3.976 1.00 0.00 H new ATOM 0 HA THR A 89 11.946 1.169 1.768 1.00 0.00 H new ATOM 0 HB THR A 89 12.865 0.709 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.995 0.733 3.658 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.843 -1.363 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 89 12.077 -1.319 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 89 13.150 -0.983 2.128 1.00 0.00 H new ATOM 1297 N LEU A 90 9.690 0.358 2.408 1.00 0.00 N ATOM 1298 CA LEU A 90 8.386 -0.198 2.753 1.00 0.00 C ATOM 1299 C LEU A 90 8.487 -1.695 3.025 1.00 0.00 C ATOM 1300 O LEU A 90 9.237 -2.410 2.359 1.00 0.00 O ATOM 1301 CB LEU A 90 7.384 0.061 1.626 1.00 0.00 C ATOM 1302 CG LEU A 90 6.061 -0.700 1.716 1.00 0.00 C ATOM 1303 CD1 LEU A 90 5.091 0.023 2.638 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.453 -0.878 0.333 1.00 0.00 C ATOM 0 H LEU A 90 9.884 0.387 1.407 1.00 0.00 H new ATOM 0 HA LEU A 90 8.037 0.295 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.165 1.128 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.861 -0.190 0.678 1.00 0.00 H new ATOM 0 HG LEU A 90 6.259 -1.687 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.155 -0.533 2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.524 0.098 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.898 1.023 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.512 -1.422 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.269 0.100 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.142 -1.440 -0.298 1.00 0.00 H new ATOM 1316 N THR A 91 7.725 -2.166 4.008 1.00 0.00 N ATOM 1317 CA THR A 91 7.728 -3.578 4.368 1.00 0.00 C ATOM 1318 C THR A 91 6.405 -4.241 4.002 1.00 0.00 C ATOM 1319 O THR A 91 5.334 -3.754 4.363 1.00 0.00 O ATOM 1320 CB THR A 91 7.988 -3.774 5.874 1.00 0.00 C ATOM 1321 OG1 THR A 91 9.158 -3.048 6.267 1.00 0.00 O ATOM 1322 CG2 THR A 91 8.164 -5.248 6.205 1.00 0.00 C ATOM 0 H THR A 91 7.098 -1.589 4.569 1.00 0.00 H new ATOM 0 HA THR A 91 8.535 -4.046 3.804 1.00 0.00 H new ATOM 0 HB THR A 91 7.125 -3.396 6.422 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.316 -3.176 7.226 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.346 -5.362 7.274 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.261 -5.793 5.931 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.011 -5.647 5.648 1.00 0.00 H new ATOM 1330 N VAL A 92 6.486 -5.357 3.284 1.00 0.00 N ATOM 1331 CA VAL A 92 5.295 -6.088 2.870 1.00 0.00 C ATOM 1332 C VAL A 92 5.302 -7.509 3.424 1.00 0.00 C ATOM 1333 O VAL A 92 6.308 -8.213 3.340 1.00 0.00 O ATOM 1334 CB VAL A 92 5.177 -6.148 1.336 1.00 0.00 C ATOM 1335 CG1 VAL A 92 3.926 -6.909 0.925 1.00 0.00 C ATOM 1336 CG2 VAL A 92 5.176 -4.746 0.747 1.00 0.00 C ATOM 0 H VAL A 92 7.365 -5.774 2.977 1.00 0.00 H new ATOM 0 HA VAL A 92 4.437 -5.548 3.272 1.00 0.00 H new ATOM 0 HB VAL A 92 6.042 -6.682 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.860 -6.941 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.974 -7.926 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.046 -6.407 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.092 -4.807 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.331 -4.185 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.105 -4.240 1.011 1.00 0.00 H new ATOM 1346 N ARG A 93 4.174 -7.923 3.990 1.00 0.00 N ATOM 1347 CA ARG A 93 4.050 -9.260 4.559 1.00 0.00 C ATOM 1348 C ARG A 93 3.172 -10.146 3.680 1.00 0.00 C ATOM 1349 O ARG A 93 1.964 -9.935 3.580 1.00 0.00 O ATOM 1350 CB ARG A 93 3.465 -9.184 5.971 1.00 0.00 C ATOM 1351 CG ARG A 93 4.503 -8.907 7.046 1.00 0.00 C ATOM 1352 CD ARG A 93 3.852 -8.652 8.396 1.00 0.00 C ATOM 1353 NE ARG A 93 2.984 -9.754 8.802 1.00 0.00 N ATOM 1354 CZ ARG A 93 2.600 -9.964 10.056 1.00 0.00 C ATOM 1355 NH1 ARG A 93 3.006 -9.151 11.022 1.00 0.00 N ATOM 1356 NH2 ARG A 93 1.809 -10.989 10.346 1.00 0.00 N ATOM 0 H ARG A 93 3.332 -7.352 4.067 1.00 0.00 H new ATOM 0 HA ARG A 93 5.046 -9.700 4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.707 -8.401 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.961 -10.124 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.184 -9.755 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.102 -8.042 6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 93 4.626 -8.504 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.271 -7.731 8.350 1.00 0.00 H new ATOM 0 HE ARG A 93 2.654 -10.398 8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.615 -8.362 10.803 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.710 -9.314 11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.495 -11.617 9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.515 -11.149 11.309 1.00 0.00 H new ATOM 1370 N ALA A 94 3.789 -11.137 3.045 1.00 0.00 N ATOM 1371 CA ALA A 94 3.064 -12.055 2.176 1.00 0.00 C ATOM 1372 C ALA A 94 1.793 -12.561 2.850 1.00 0.00 C ATOM 1373 O ALA A 94 1.660 -12.499 4.073 1.00 0.00 O ATOM 1374 CB ALA A 94 3.956 -13.223 1.781 1.00 0.00 C ATOM 0 H ALA A 94 4.789 -11.324 3.116 1.00 0.00 H new ATOM 0 HA ALA A 94 2.775 -11.513 1.276 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.402 -13.901 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.832 -12.849 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.274 -13.757 2.676 1.00 0.00 H new ATOM 1380 N LEU A 95 0.861 -13.060 2.045 1.00 0.00 N ATOM 1381 CA LEU A 95 -0.401 -13.577 2.564 1.00 0.00 C ATOM 1382 C LEU A 95 -0.164 -14.777 3.476 1.00 0.00 C ATOM 1383 O LEU A 95 0.860 -15.456 3.396 1.00 0.00 O ATOM 1384 CB LEU A 95 -1.325 -13.972 1.412 1.00 0.00 C ATOM 1385 CG LEU A 95 -2.064 -12.825 0.721 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -3.227 -13.358 -0.102 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -2.554 -11.812 1.746 1.00 0.00 C ATOM 0 H LEU A 95 0.955 -13.118 1.031 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.876 -12.789 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.734 -14.500 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.064 -14.678 1.791 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.369 -12.324 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.741 -12.528 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.851 -14.044 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.923 -13.885 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.077 -11.003 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.233 -12.301 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.703 -11.406 2.292 1.00 0.00 H new