USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 426 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -16:sc= 0.828 USER MOD Single : A 17 ASN : amide:sc= -3.47 K(o=-3.5,f=-5.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -114:sc=-0.00297 (180deg=-0.316) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.997 K(o=-1,f=-5.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 15.779 13.888 -16.189 1.00 0.00 N ATOM 2 CA ALA A 2 15.535 12.568 -15.552 1.00 0.00 C ATOM 3 C ALA A 2 15.552 12.682 -14.032 1.00 0.00 C ATOM 4 O ALA A 2 16.512 13.185 -13.448 1.00 0.00 O ATOM 5 CB ALA A 2 16.576 11.559 -16.016 1.00 0.00 C ATOM 0 HA ALA A 2 14.547 12.223 -15.855 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.386 10.596 -15.542 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.518 11.448 -17.099 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.571 11.909 -15.740 1.00 0.00 H new ATOM 13 N SER A 3 14.483 12.213 -13.397 1.00 0.00 N ATOM 14 CA SER A 3 14.375 12.263 -11.944 1.00 0.00 C ATOM 15 C SER A 3 13.596 11.063 -11.415 1.00 0.00 C ATOM 16 O SER A 3 12.723 10.527 -12.097 1.00 0.00 O ATOM 17 CB SER A 3 13.693 13.560 -11.506 1.00 0.00 C ATOM 18 OG SER A 3 12.367 13.632 -12.001 1.00 0.00 O ATOM 0 H SER A 3 13.680 11.794 -13.866 1.00 0.00 H new ATOM 0 HA SER A 3 15.382 12.232 -11.529 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.682 13.619 -10.418 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.266 14.415 -11.866 1.00 0.00 H new ATOM 0 HG SER A 3 11.953 14.469 -11.706 1.00 0.00 H new ATOM 24 N THR A 4 13.919 10.647 -10.195 1.00 0.00 N ATOM 25 CA THR A 4 13.249 9.511 -9.574 1.00 0.00 C ATOM 26 C THR A 4 13.450 8.243 -10.398 1.00 0.00 C ATOM 27 O THR A 4 12.744 8.012 -11.381 1.00 0.00 O ATOM 28 CB THR A 4 11.755 9.798 -9.414 1.00 0.00 C ATOM 29 OG1 THR A 4 11.543 11.142 -9.021 1.00 0.00 O ATOM 30 CG2 THR A 4 11.080 8.909 -8.393 1.00 0.00 C ATOM 0 H THR A 4 14.640 11.079 -9.617 1.00 0.00 H new ATOM 0 HA THR A 4 13.689 9.356 -8.589 1.00 0.00 H new ATOM 0 HB THR A 4 11.316 9.598 -10.391 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.582 11.307 -8.925 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.023 9.166 -8.330 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.183 7.866 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.547 9.054 -7.419 1.00 0.00 H new ATOM 38 N SER A 5 14.415 7.426 -9.990 1.00 0.00 N ATOM 39 CA SER A 5 14.709 6.181 -10.692 1.00 0.00 C ATOM 40 C SER A 5 13.638 5.132 -10.410 1.00 0.00 C ATOM 41 O SER A 5 13.798 4.291 -9.524 1.00 0.00 O ATOM 42 CB SER A 5 16.083 5.651 -10.277 1.00 0.00 C ATOM 43 OG SER A 5 16.396 4.453 -10.968 1.00 0.00 O ATOM 0 H SER A 5 15.006 7.603 -9.178 1.00 0.00 H new ATOM 0 HA SER A 5 14.715 6.388 -11.762 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.844 6.403 -10.483 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.097 5.469 -9.202 1.00 0.00 H new ATOM 0 HG SER A 5 17.279 4.135 -10.687 1.00 0.00 H new ATOM 49 N ARG A 6 12.548 5.186 -11.167 1.00 0.00 N ATOM 50 CA ARG A 6 11.451 4.240 -10.999 1.00 0.00 C ATOM 51 C ARG A 6 11.339 3.317 -12.208 1.00 0.00 C ATOM 52 O ARG A 6 11.225 3.778 -13.344 1.00 0.00 O ATOM 53 CB ARG A 6 10.132 4.989 -10.788 1.00 0.00 C ATOM 54 CG ARG A 6 9.793 5.223 -9.325 1.00 0.00 C ATOM 55 CD ARG A 6 8.380 5.761 -9.160 1.00 0.00 C ATOM 56 NE ARG A 6 8.231 7.092 -9.742 1.00 0.00 N ATOM 57 CZ ARG A 6 7.201 7.899 -9.493 1.00 0.00 C ATOM 58 NH1 ARG A 6 6.229 7.513 -8.675 1.00 0.00 N ATOM 59 NH2 ARG A 6 7.143 9.094 -10.063 1.00 0.00 N ATOM 0 H ARG A 6 12.400 5.876 -11.904 1.00 0.00 H new ATOM 0 HA ARG A 6 11.659 3.631 -10.119 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.184 5.951 -11.299 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.324 4.424 -11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.895 4.289 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 6 10.504 5.927 -8.894 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.674 5.078 -9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.127 5.798 -8.100 1.00 0.00 H new ATOM 0 HE ARG A 6 8.958 7.423 -10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.269 6.594 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.443 8.135 -8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.887 9.396 -10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.354 9.712 -9.873 1.00 0.00 H new ATOM 73 N LEU A 7 11.369 2.013 -11.954 1.00 0.00 N ATOM 74 CA LEU A 7 11.270 1.025 -13.023 1.00 0.00 C ATOM 75 C LEU A 7 9.844 0.497 -13.143 1.00 0.00 C ATOM 76 O LEU A 7 9.325 0.330 -14.247 1.00 0.00 O ATOM 77 CB LEU A 7 12.238 -0.132 -12.767 1.00 0.00 C ATOM 78 CG LEU A 7 13.593 -0.009 -13.468 1.00 0.00 C ATOM 79 CD1 LEU A 7 14.616 0.632 -12.544 1.00 0.00 C ATOM 80 CD2 LEU A 7 14.077 -1.375 -13.935 1.00 0.00 C ATOM 0 H LEU A 7 11.461 1.616 -11.019 1.00 0.00 H new ATOM 0 HA LEU A 7 11.538 1.511 -13.961 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.407 -0.213 -11.693 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.764 -1.060 -13.086 1.00 0.00 H new ATOM 0 HG LEU A 7 13.472 0.631 -14.342 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.573 0.711 -13.060 1.00 0.00 H new ATOM 0 HD12 LEU A 7 14.275 1.627 -12.258 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.735 0.018 -11.651 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.042 -1.269 -14.431 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.182 -2.037 -13.076 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.354 -1.798 -14.633 1.00 0.00 H new ATOM 92 N ASP A 8 9.217 0.234 -12.001 1.00 0.00 N ATOM 93 CA ASP A 8 7.852 -0.276 -11.978 1.00 0.00 C ATOM 94 C ASP A 8 7.290 -0.268 -10.560 1.00 0.00 C ATOM 95 O ASP A 8 7.872 -0.855 -9.648 1.00 0.00 O ATOM 96 CB ASP A 8 7.806 -1.694 -12.550 1.00 0.00 C ATOM 97 CG ASP A 8 6.482 -2.004 -13.220 1.00 0.00 C ATOM 98 OD1 ASP A 8 5.460 -2.088 -12.507 1.00 0.00 O ATOM 99 OD2 ASP A 8 6.467 -2.165 -14.459 1.00 0.00 O ATOM 0 H ASP A 8 9.633 0.366 -11.079 1.00 0.00 H new ATOM 0 HA ASP A 8 7.236 0.378 -12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.613 -1.818 -13.272 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.982 -2.412 -11.749 1.00 0.00 H new ATOM 104 N ALA A 9 6.155 0.399 -10.383 1.00 0.00 N ATOM 105 CA ALA A 9 5.514 0.484 -9.077 1.00 0.00 C ATOM 106 C ALA A 9 3.997 0.390 -9.205 1.00 0.00 C ATOM 107 O ALA A 9 3.367 1.220 -9.861 1.00 0.00 O ATOM 108 CB ALA A 9 5.908 1.776 -8.378 1.00 0.00 C ATOM 0 H ALA A 9 5.660 0.889 -11.128 1.00 0.00 H new ATOM 0 HA ALA A 9 5.855 -0.359 -8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.422 1.826 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.990 1.803 -8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.596 2.627 -8.983 1.00 0.00 H new ATOM 114 N LEU A 10 3.416 -0.626 -8.574 1.00 0.00 N ATOM 115 CA LEU A 10 1.973 -0.828 -8.618 1.00 0.00 C ATOM 116 C LEU A 10 1.552 -1.955 -7.678 1.00 0.00 C ATOM 117 O LEU A 10 1.621 -3.130 -8.038 1.00 0.00 O ATOM 118 CB LEU A 10 1.527 -1.147 -10.046 1.00 0.00 C ATOM 119 CG LEU A 10 0.013 -1.241 -10.246 1.00 0.00 C ATOM 120 CD1 LEU A 10 -0.642 0.107 -9.986 1.00 0.00 C ATOM 121 CD2 LEU A 10 -0.310 -1.731 -11.649 1.00 0.00 C ATOM 0 H LEU A 10 3.923 -1.322 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 10 1.491 0.093 -8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.919 -0.379 -10.713 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.977 -2.092 -10.348 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.386 -1.961 -9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.719 0.023 -10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.439 0.419 -8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.239 0.847 -10.677 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.391 -1.792 -11.773 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.101 -1.036 -12.381 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.129 -2.717 -11.800 1.00 0.00 H new ATOM 133 N PRO A 11 1.106 -1.615 -6.455 1.00 0.00 N ATOM 134 CA PRO A 11 0.674 -2.611 -5.470 1.00 0.00 C ATOM 135 C PRO A 11 -0.610 -3.319 -5.887 1.00 0.00 C ATOM 136 O PRO A 11 -1.695 -2.739 -5.835 1.00 0.00 O ATOM 137 CB PRO A 11 0.443 -1.786 -4.201 1.00 0.00 C ATOM 138 CG PRO A 11 0.167 -0.406 -4.690 1.00 0.00 C ATOM 139 CD PRO A 11 0.988 -0.238 -5.938 1.00 0.00 C ATOM 0 HA PRO A 11 1.410 -3.405 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.395 -2.176 -3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.317 -1.808 -3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.894 -0.271 -4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.441 0.336 -3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.499 0.421 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.964 0.196 -5.722 1.00 0.00 H new ATOM 147 N ARG A 12 -0.479 -4.574 -6.302 1.00 0.00 N ATOM 148 CA ARG A 12 -1.630 -5.361 -6.729 1.00 0.00 C ATOM 149 C ARG A 12 -2.024 -6.373 -5.658 1.00 0.00 C ATOM 150 O ARG A 12 -1.180 -7.105 -5.140 1.00 0.00 O ATOM 151 CB ARG A 12 -1.320 -6.082 -8.044 1.00 0.00 C ATOM 152 CG ARG A 12 -2.178 -5.615 -9.208 1.00 0.00 C ATOM 153 CD ARG A 12 -3.430 -6.466 -9.353 1.00 0.00 C ATOM 154 NE ARG A 12 -3.230 -7.582 -10.275 1.00 0.00 N ATOM 155 CZ ARG A 12 -4.224 -8.258 -10.847 1.00 0.00 C ATOM 156 NH1 ARG A 12 -5.486 -7.937 -10.593 1.00 0.00 N ATOM 157 NH2 ARG A 12 -3.955 -9.259 -11.673 1.00 0.00 N ATOM 0 H ARG A 12 0.412 -5.068 -6.352 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.468 -4.682 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.270 -5.931 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.463 -7.153 -7.904 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.460 -4.573 -9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.598 -5.659 -10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.722 -6.851 -8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.252 -5.844 -9.709 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.273 -7.859 -10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.699 -7.169 -9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.244 -8.458 -11.034 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.987 -9.511 -11.870 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.716 -9.777 -12.111 1.00 0.00 H new ATOM 171 N VAL A 13 -3.311 -6.409 -5.328 1.00 0.00 N ATOM 172 CA VAL A 13 -3.819 -7.327 -4.323 1.00 0.00 C ATOM 173 C VAL A 13 -3.617 -8.777 -4.747 1.00 0.00 C ATOM 174 O VAL A 13 -3.354 -9.060 -5.917 1.00 0.00 O ATOM 175 CB VAL A 13 -5.313 -7.082 -4.055 1.00 0.00 C ATOM 176 CG1 VAL A 13 -5.508 -5.837 -3.203 1.00 0.00 C ATOM 177 CG2 VAL A 13 -6.083 -6.969 -5.362 1.00 0.00 C ATOM 0 H VAL A 13 -4.022 -5.809 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.256 -7.143 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.706 -7.936 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.572 -5.681 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.995 -5.965 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.097 -4.972 -3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.138 -6.796 -5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.689 -6.137 -5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.974 -7.893 -5.929 1.00 0.00 H new ATOM 187 N THR A 14 -3.742 -9.692 -3.791 1.00 0.00 N ATOM 188 CA THR A 14 -3.575 -11.116 -4.063 1.00 0.00 C ATOM 189 C THR A 14 -2.211 -11.398 -4.686 1.00 0.00 C ATOM 190 O THR A 14 -1.364 -10.510 -4.778 1.00 0.00 O ATOM 191 CB THR A 14 -4.686 -11.618 -4.987 1.00 0.00 C ATOM 192 OG1 THR A 14 -4.436 -11.238 -6.328 1.00 0.00 O ATOM 193 CG2 THR A 14 -6.058 -11.100 -4.612 1.00 0.00 C ATOM 0 H THR A 14 -3.959 -9.472 -2.819 1.00 0.00 H new ATOM 0 HA THR A 14 -3.636 -11.648 -3.114 1.00 0.00 H new ATOM 0 HB THR A 14 -4.682 -12.702 -4.877 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.759 -10.530 -6.347 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.799 -11.495 -5.308 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.304 -11.421 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.061 -10.011 -4.658 1.00 0.00 H new ATOM 201 N CYS A 15 -2.007 -12.641 -5.110 1.00 0.00 N ATOM 202 CA CYS A 15 -0.746 -13.043 -5.723 1.00 0.00 C ATOM 203 C CYS A 15 -0.976 -13.583 -7.135 1.00 0.00 C ATOM 204 O CYS A 15 -1.854 -14.420 -7.349 1.00 0.00 O ATOM 205 CB CYS A 15 -0.062 -14.106 -4.862 1.00 0.00 C ATOM 206 SG CYS A 15 1.526 -14.679 -5.510 1.00 0.00 S ATOM 0 H CYS A 15 -2.699 -13.387 -5.040 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.102 -12.166 -5.791 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.091 -13.703 -3.861 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.730 -14.961 -4.762 1.00 0.00 H new ATOM 211 N PRO A 16 -0.194 -13.109 -8.123 1.00 0.00 N ATOM 212 CA PRO A 16 -0.329 -13.552 -9.516 1.00 0.00 C ATOM 213 C PRO A 16 -0.208 -15.065 -9.665 1.00 0.00 C ATOM 214 O PRO A 16 -0.787 -15.657 -10.575 1.00 0.00 O ATOM 215 CB PRO A 16 0.834 -12.856 -10.231 1.00 0.00 C ATOM 216 CG PRO A 16 1.160 -11.681 -9.377 1.00 0.00 C ATOM 217 CD PRO A 16 0.875 -12.106 -7.965 1.00 0.00 C ATOM 0 HA PRO A 16 -1.310 -13.303 -9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.691 -13.522 -10.331 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.551 -12.547 -11.237 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.204 -11.391 -9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.556 -10.817 -9.654 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.758 -12.531 -7.487 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.551 -11.267 -7.350 1.00 0.00 H new ATOM 225 N ASN A 17 0.552 -15.685 -8.769 1.00 0.00 N ATOM 226 CA ASN A 17 0.752 -17.130 -8.806 1.00 0.00 C ATOM 227 C ASN A 17 0.070 -17.825 -7.627 1.00 0.00 C ATOM 228 O ASN A 17 0.006 -19.054 -7.578 1.00 0.00 O ATOM 229 CB ASN A 17 2.248 -17.460 -8.809 1.00 0.00 C ATOM 230 CG ASN A 17 3.023 -16.652 -7.787 1.00 0.00 C ATOM 231 OD1 ASN A 17 3.087 -15.425 -7.867 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.620 -17.337 -6.820 1.00 0.00 N ATOM 0 H ASN A 17 1.039 -15.211 -8.009 1.00 0.00 H new ATOM 0 HA ASN A 17 0.297 -17.500 -9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.383 -18.522 -8.605 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.656 -17.271 -9.802 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.158 -16.847 -6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.541 -18.354 -6.792 1.00 0.00 H new ATOM 239 N HIS A 18 -0.437 -17.040 -6.680 1.00 0.00 N ATOM 240 CA HIS A 18 -1.110 -17.598 -5.512 1.00 0.00 C ATOM 241 C HIS A 18 -2.424 -16.867 -5.238 1.00 0.00 C ATOM 242 O HIS A 18 -2.540 -16.121 -4.267 1.00 0.00 O ATOM 243 CB HIS A 18 -0.203 -17.517 -4.282 1.00 0.00 C ATOM 244 CG HIS A 18 1.049 -18.327 -4.404 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.288 -17.756 -4.228 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.196 -19.647 -4.672 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.156 -18.743 -4.389 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.540 -19.904 -4.661 1.00 0.00 N ATOM 0 H HIS A 18 -0.395 -16.021 -6.698 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.332 -18.644 -5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.065 -16.475 -4.107 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.760 -17.854 -3.408 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.405 -20.359 -4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.227 -18.628 -4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.988 -20.805 -4.828 1.00 0.00 H new ATOM 256 N PRO A 19 -3.438 -17.078 -6.095 1.00 0.00 N ATOM 257 CA PRO A 19 -4.747 -16.438 -5.938 1.00 0.00 C ATOM 258 C PRO A 19 -5.389 -16.768 -4.596 1.00 0.00 C ATOM 259 O PRO A 19 -5.810 -15.876 -3.860 1.00 0.00 O ATOM 260 CB PRO A 19 -5.582 -17.024 -7.082 1.00 0.00 C ATOM 261 CG PRO A 19 -4.590 -17.531 -8.071 1.00 0.00 C ATOM 262 CD PRO A 19 -3.388 -17.956 -7.276 1.00 0.00 C ATOM 0 HA PRO A 19 -4.671 -15.351 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.229 -17.826 -6.726 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.228 -16.267 -7.526 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.998 -18.368 -8.638 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.327 -16.756 -8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.441 -19.009 -6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.465 -17.821 -7.839 1.00 0.00 H new ATOM 270 N ASP A 20 -5.458 -18.059 -4.286 1.00 0.00 N ATOM 271 CA ASP A 20 -6.047 -18.516 -3.032 1.00 0.00 C ATOM 272 C ASP A 20 -5.370 -17.851 -1.834 1.00 0.00 C ATOM 273 O ASP A 20 -6.037 -17.416 -0.896 1.00 0.00 O ATOM 274 CB ASP A 20 -5.937 -20.038 -2.918 1.00 0.00 C ATOM 275 CG ASP A 20 -7.264 -20.691 -2.589 1.00 0.00 C ATOM 276 OD1 ASP A 20 -8.314 -20.120 -2.955 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.257 -21.773 -1.966 1.00 0.00 O ATOM 0 H ASP A 20 -5.113 -18.808 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.100 -18.234 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.559 -20.443 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.210 -20.290 -2.146 1.00 0.00 H new ATOM 282 N ALA A 21 -4.044 -17.776 -1.876 1.00 0.00 N ATOM 283 CA ALA A 21 -3.279 -17.163 -0.796 1.00 0.00 C ATOM 284 C ALA A 21 -3.084 -15.670 -1.043 1.00 0.00 C ATOM 285 O ALA A 21 -2.337 -15.272 -1.936 1.00 0.00 O ATOM 286 CB ALA A 21 -1.933 -17.857 -0.642 1.00 0.00 C ATOM 0 H ALA A 21 -3.477 -18.132 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.842 -17.281 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.373 -17.389 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.091 -18.911 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.370 -17.769 -1.571 1.00 0.00 H new ATOM 292 N ILE A 22 -3.764 -14.851 -0.248 1.00 0.00 N ATOM 293 CA ILE A 22 -3.672 -13.407 -0.381 1.00 0.00 C ATOM 294 C ILE A 22 -2.426 -12.859 0.308 1.00 0.00 C ATOM 295 O ILE A 22 -2.065 -13.293 1.401 1.00 0.00 O ATOM 296 CB ILE A 22 -4.914 -12.718 0.211 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.223 -13.268 1.607 1.00 0.00 C ATOM 298 CG2 ILE A 22 -6.110 -12.896 -0.712 1.00 0.00 C ATOM 299 CD1 ILE A 22 -5.423 -12.190 2.650 1.00 0.00 C ATOM 0 H ILE A 22 -4.386 -15.167 0.496 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.610 -13.192 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.705 -11.652 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.121 -13.884 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.407 -13.919 1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.980 -12.403 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.889 -12.454 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.319 -13.959 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.638 -12.652 3.614 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.518 -11.588 2.730 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.258 -11.552 2.359 1.00 0.00 H new ATOM 311 N LEU A 23 -1.777 -11.897 -0.341 1.00 0.00 N ATOM 312 CA LEU A 23 -0.574 -11.277 0.204 1.00 0.00 C ATOM 313 C LEU A 23 -0.878 -10.584 1.530 1.00 0.00 C ATOM 314 O LEU A 23 -1.553 -9.555 1.560 1.00 0.00 O ATOM 315 CB LEU A 23 -0.012 -10.262 -0.795 1.00 0.00 C ATOM 316 CG LEU A 23 1.238 -10.718 -1.547 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.856 -11.532 -2.773 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.086 -9.519 -1.943 1.00 0.00 C ATOM 0 H LEU A 23 -2.065 -11.529 -1.248 1.00 0.00 H new ATOM 0 HA LEU A 23 0.166 -12.057 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.788 -10.023 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.220 -9.340 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 23 1.827 -11.353 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.759 -11.848 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.289 -12.410 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.246 -10.922 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.972 -9.861 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.505 -8.860 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.389 -8.976 -1.048 1.00 0.00 H new ATOM 330 N VAL A 24 -0.375 -11.150 2.623 1.00 0.00 N ATOM 331 CA VAL A 24 -0.592 -10.579 3.951 1.00 0.00 C ATOM 332 C VAL A 24 -0.305 -9.080 3.953 1.00 0.00 C ATOM 333 O VAL A 24 0.356 -8.567 3.052 1.00 0.00 O ATOM 334 CB VAL A 24 0.297 -11.263 5.009 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.092 -10.812 6.410 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.206 -12.777 4.886 1.00 0.00 C ATOM 0 H VAL A 24 0.185 -12.002 2.617 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.639 -10.749 4.204 1.00 0.00 H new ATOM 0 HB VAL A 24 1.331 -10.967 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.547 -11.306 7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.030 -9.732 6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.133 -11.075 6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.840 -13.242 5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.827 -13.093 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.539 -13.082 3.894 1.00 0.00 H new ATOM 346 N GLU A 25 -0.811 -8.379 4.963 1.00 0.00 N ATOM 347 CA GLU A 25 -0.608 -6.938 5.066 1.00 0.00 C ATOM 348 C GLU A 25 0.258 -6.589 6.274 1.00 0.00 C ATOM 349 O GLU A 25 -0.215 -6.591 7.410 1.00 0.00 O ATOM 350 CB GLU A 25 -1.956 -6.219 5.161 1.00 0.00 C ATOM 351 CG GLU A 25 -2.355 -5.505 3.881 1.00 0.00 C ATOM 352 CD GLU A 25 -3.854 -5.311 3.764 1.00 0.00 C ATOM 353 OE1 GLU A 25 -4.536 -6.237 3.278 1.00 0.00 O ATOM 354 OE2 GLU A 25 -4.345 -4.233 4.160 1.00 0.00 O ATOM 0 H GLU A 25 -1.363 -8.784 5.719 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.088 -6.606 4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.728 -6.944 5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.915 -5.494 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.863 -4.533 3.843 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.998 -6.077 3.024 1.00 0.00 H new ATOM 361 N ASP A 26 1.527 -6.286 6.018 1.00 0.00 N ATOM 362 CA ASP A 26 2.457 -5.927 7.083 1.00 0.00 C ATOM 363 C ASP A 26 2.698 -7.104 8.022 1.00 0.00 C ATOM 364 O ASP A 26 1.815 -7.935 8.234 1.00 0.00 O ATOM 365 CB ASP A 26 1.929 -4.727 7.872 1.00 0.00 C ATOM 366 CG ASP A 26 2.933 -3.593 7.942 1.00 0.00 C ATOM 367 OD1 ASP A 26 4.143 -3.879 8.067 1.00 0.00 O ATOM 368 OD2 ASP A 26 2.511 -2.419 7.871 1.00 0.00 O ATOM 0 H ASP A 26 1.935 -6.282 5.083 1.00 0.00 H new ATOM 0 HA ASP A 26 3.407 -5.658 6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.010 -4.367 7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.673 -5.045 8.883 1.00 0.00 H new ATOM 373 N TYR A 27 3.902 -7.166 8.578 1.00 0.00 N ATOM 374 CA TYR A 27 4.272 -8.236 9.499 1.00 0.00 C ATOM 375 C TYR A 27 5.715 -8.064 9.963 1.00 0.00 C ATOM 376 O TYR A 27 6.654 -8.309 9.205 1.00 0.00 O ATOM 377 CB TYR A 27 4.095 -9.601 8.829 1.00 0.00 C ATOM 378 CG TYR A 27 3.335 -10.595 9.677 1.00 0.00 C ATOM 379 CD1 TYR A 27 3.880 -11.092 10.855 1.00 0.00 C ATOM 380 CD2 TYR A 27 2.073 -11.038 9.301 1.00 0.00 C ATOM 381 CE1 TYR A 27 3.189 -12.002 11.633 1.00 0.00 C ATOM 382 CE2 TYR A 27 1.376 -11.947 10.074 1.00 0.00 C ATOM 383 CZ TYR A 27 1.938 -12.426 11.238 1.00 0.00 C ATOM 384 OH TYR A 27 1.247 -13.330 12.010 1.00 0.00 O ATOM 0 H TYR A 27 4.642 -6.485 8.407 1.00 0.00 H new ATOM 0 HA TYR A 27 3.616 -8.184 10.368 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.571 -9.467 7.883 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.077 -10.012 8.594 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.860 -10.762 11.168 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.629 -10.666 8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.627 -12.379 12.546 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.396 -12.281 9.768 1.00 0.00 H new ATOM 0 HH TYR A 27 0.382 -13.523 11.592 1.00 0.00 H new ATOM 394 N ARG A 28 5.884 -7.635 11.210 1.00 0.00 N ATOM 395 CA ARG A 28 7.217 -7.423 11.770 1.00 0.00 C ATOM 396 C ARG A 28 7.931 -6.286 11.054 1.00 0.00 C ATOM 397 O ARG A 28 9.159 -6.195 11.067 1.00 0.00 O ATOM 398 CB ARG A 28 8.041 -8.699 11.659 1.00 0.00 C ATOM 399 CG ARG A 28 8.667 -9.139 12.972 1.00 0.00 C ATOM 400 CD ARG A 28 7.606 -9.494 14.002 1.00 0.00 C ATOM 401 NE ARG A 28 8.166 -9.606 15.347 1.00 0.00 N ATOM 402 CZ ARG A 28 7.432 -9.616 16.458 1.00 0.00 C ATOM 403 NH1 ARG A 28 6.109 -9.520 16.388 1.00 0.00 N ATOM 404 NH2 ARG A 28 8.021 -9.721 17.640 1.00 0.00 N ATOM 0 H ARG A 28 5.118 -7.428 11.851 1.00 0.00 H new ATOM 0 HA ARG A 28 7.106 -7.156 12.821 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.404 -9.500 11.284 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.831 -8.548 10.923 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.311 -10.001 12.799 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.300 -8.341 13.360 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.826 -8.733 13.996 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.134 -10.437 13.726 1.00 0.00 H new ATOM 0 HE ARG A 28 9.179 -9.681 15.440 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.651 -9.438 15.480 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.551 -9.528 17.242 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.037 -9.794 17.699 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.459 -9.729 18.491 1.00 0.00 H new ATOM 418 N ALA A 29 7.145 -5.427 10.431 1.00 0.00 N ATOM 419 CA ALA A 29 7.669 -4.280 9.694 1.00 0.00 C ATOM 420 C ALA A 29 8.238 -4.712 8.347 1.00 0.00 C ATOM 421 O ALA A 29 9.260 -4.193 7.898 1.00 0.00 O ATOM 422 CB ALA A 29 8.728 -3.552 10.510 1.00 0.00 C ATOM 0 H ALA A 29 6.128 -5.500 10.418 1.00 0.00 H new ATOM 0 HA ALA A 29 6.843 -3.593 9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.104 -2.701 9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.289 -3.199 11.443 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.550 -4.233 10.730 1.00 0.00 H new ATOM 428 N GLY A 30 7.569 -5.666 7.707 1.00 0.00 N ATOM 429 CA GLY A 30 8.022 -6.153 6.417 1.00 0.00 C ATOM 430 C GLY A 30 7.007 -5.926 5.312 1.00 0.00 C ATOM 431 O GLY A 30 7.075 -6.563 4.261 1.00 0.00 O ATOM 0 H GLY A 30 6.721 -6.111 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.956 -5.656 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.238 -7.219 6.492 1.00 0.00 H new ATOM 435 N ASP A 31 6.063 -5.016 5.544 1.00 0.00 N ATOM 436 CA ASP A 31 5.035 -4.714 4.553 1.00 0.00 C ATOM 437 C ASP A 31 4.247 -5.973 4.188 1.00 0.00 C ATOM 438 O ASP A 31 4.182 -6.920 4.970 1.00 0.00 O ATOM 439 CB ASP A 31 5.679 -4.104 3.304 1.00 0.00 C ATOM 440 CG ASP A 31 4.911 -2.905 2.785 1.00 0.00 C ATOM 441 OD1 ASP A 31 3.772 -3.091 2.305 1.00 0.00 O ATOM 442 OD2 ASP A 31 5.446 -1.780 2.859 1.00 0.00 O ATOM 0 H ASP A 31 5.990 -4.477 6.407 1.00 0.00 H new ATOM 0 HA ASP A 31 4.339 -3.993 4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.701 -3.805 3.535 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.737 -4.861 2.522 1.00 0.00 H new ATOM 447 N MET A 32 3.647 -5.979 3.000 1.00 0.00 N ATOM 448 CA MET A 32 2.871 -7.126 2.547 1.00 0.00 C ATOM 449 C MET A 32 3.779 -8.324 2.290 1.00 0.00 C ATOM 450 O MET A 32 4.953 -8.160 1.957 1.00 0.00 O ATOM 451 CB MET A 32 2.094 -6.777 1.277 1.00 0.00 C ATOM 452 CG MET A 32 1.072 -5.670 1.475 1.00 0.00 C ATOM 453 SD MET A 32 -0.413 -5.910 0.480 1.00 0.00 S ATOM 454 CE MET A 32 0.086 -5.144 -1.061 1.00 0.00 C ATOM 0 H MET A 32 3.684 -5.205 2.337 1.00 0.00 H new ATOM 0 HA MET A 32 2.163 -7.389 3.333 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.798 -6.476 0.501 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.585 -7.670 0.916 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.795 -5.621 2.528 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.525 -4.712 1.219 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.520 -4.256 -1.239 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.137 -4.861 -1.003 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.055 -5.849 -1.880 1.00 0.00 H new ATOM 464 N ILE A 33 3.235 -9.526 2.451 1.00 0.00 N ATOM 465 CA ILE A 33 4.007 -10.744 2.239 1.00 0.00 C ATOM 466 C ILE A 33 3.098 -11.924 1.896 1.00 0.00 C ATOM 467 O ILE A 33 2.101 -12.164 2.574 1.00 0.00 O ATOM 468 CB ILE A 33 4.851 -11.089 3.486 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.811 -12.249 3.192 1.00 0.00 C ATOM 470 CG2 ILE A 33 3.950 -11.412 4.670 1.00 0.00 C ATOM 471 CD1 ILE A 33 5.146 -13.610 3.128 1.00 0.00 C ATOM 0 H ILE A 33 2.265 -9.682 2.727 1.00 0.00 H new ATOM 0 HA ILE A 33 4.675 -10.560 1.398 1.00 0.00 H new ATOM 0 HB ILE A 33 5.451 -10.217 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.313 -12.058 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.582 -12.271 3.962 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.563 -11.652 5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.323 -10.550 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.318 -12.266 4.424 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.896 -14.372 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.668 -13.827 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.395 -13.611 2.338 1.00 0.00 H new ATOM 483 N CYS A 34 3.447 -12.662 0.843 1.00 0.00 N ATOM 484 CA CYS A 34 2.653 -13.814 0.425 1.00 0.00 C ATOM 485 C CYS A 34 3.145 -15.089 1.109 1.00 0.00 C ATOM 486 O CYS A 34 4.250 -15.557 0.840 1.00 0.00 O ATOM 487 CB CYS A 34 2.721 -13.975 -1.092 1.00 0.00 C ATOM 488 SG CYS A 34 1.761 -15.359 -1.750 1.00 0.00 S ATOM 0 H CYS A 34 4.270 -12.483 0.267 1.00 0.00 H new ATOM 0 HA CYS A 34 1.618 -13.642 0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.370 -13.054 -1.557 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.763 -14.103 -1.384 1.00 0.00 H new ATOM 493 N PRO A 35 2.330 -15.670 2.008 1.00 0.00 N ATOM 494 CA PRO A 35 2.697 -16.893 2.731 1.00 0.00 C ATOM 495 C PRO A 35 3.150 -18.018 1.804 1.00 0.00 C ATOM 496 O PRO A 35 3.837 -18.944 2.232 1.00 0.00 O ATOM 497 CB PRO A 35 1.404 -17.284 3.451 1.00 0.00 C ATOM 498 CG PRO A 35 0.655 -16.007 3.604 1.00 0.00 C ATOM 499 CD PRO A 35 0.992 -15.182 2.393 1.00 0.00 C ATOM 0 HA PRO A 35 3.542 -16.725 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.833 -18.011 2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.612 -17.739 4.419 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.418 -16.189 3.666 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.945 -15.492 4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.266 -15.327 1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.004 -14.117 2.623 1.00 0.00 H new ATOM 507 N GLU A 36 2.756 -17.941 0.535 1.00 0.00 N ATOM 508 CA GLU A 36 3.121 -18.966 -0.436 1.00 0.00 C ATOM 509 C GLU A 36 4.530 -18.734 -0.989 1.00 0.00 C ATOM 510 O GLU A 36 5.494 -19.320 -0.497 1.00 0.00 O ATOM 511 CB GLU A 36 2.099 -19.007 -1.571 1.00 0.00 C ATOM 512 CG GLU A 36 0.714 -19.447 -1.126 1.00 0.00 C ATOM 513 CD GLU A 36 0.527 -20.949 -1.206 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.177 -21.671 -0.420 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.271 -21.403 -2.052 1.00 0.00 O ATOM 0 H GLU A 36 2.187 -17.183 0.158 1.00 0.00 H new ATOM 0 HA GLU A 36 3.120 -19.929 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.029 -18.017 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.456 -19.686 -2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.544 -19.117 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.036 -18.957 -1.747 1.00 0.00 H new ATOM 522 N CYS A 37 4.652 -17.885 -2.011 1.00 0.00 N ATOM 523 CA CYS A 37 5.960 -17.606 -2.603 1.00 0.00 C ATOM 524 C CYS A 37 6.861 -16.878 -1.614 1.00 0.00 C ATOM 525 O CYS A 37 8.084 -17.003 -1.666 1.00 0.00 O ATOM 526 CB CYS A 37 5.835 -16.773 -3.885 1.00 0.00 C ATOM 527 SG CYS A 37 4.850 -15.270 -3.722 1.00 0.00 S ATOM 0 H CYS A 37 3.873 -17.386 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 37 6.405 -18.568 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.835 -16.500 -4.222 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.395 -17.396 -4.664 1.00 0.00 H new ATOM 532 N GLY A 38 6.250 -16.112 -0.718 1.00 0.00 N ATOM 533 CA GLY A 38 7.019 -15.371 0.262 1.00 0.00 C ATOM 534 C GLY A 38 7.627 -14.115 -0.323 1.00 0.00 C ATOM 535 O GLY A 38 8.827 -13.875 -0.182 1.00 0.00 O ATOM 0 H GLY A 38 5.239 -15.991 -0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.376 -15.105 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.811 -16.007 0.657 1.00 0.00 H new ATOM 539 N LEU A 39 6.801 -13.310 -0.984 1.00 0.00 N ATOM 540 CA LEU A 39 7.272 -12.071 -1.590 1.00 0.00 C ATOM 541 C LEU A 39 6.958 -10.886 -0.688 1.00 0.00 C ATOM 542 O LEU A 39 6.234 -11.027 0.293 1.00 0.00 O ATOM 543 CB LEU A 39 6.645 -11.881 -2.977 1.00 0.00 C ATOM 544 CG LEU A 39 5.246 -11.252 -2.995 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.289 -9.879 -3.649 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.260 -12.155 -3.720 1.00 0.00 C ATOM 0 H LEU A 39 5.806 -13.493 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 39 8.354 -12.131 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.311 -11.258 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.592 -12.853 -3.468 1.00 0.00 H new ATOM 0 HG LEU A 39 4.910 -11.135 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.288 -9.447 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.962 -9.230 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.647 -9.975 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.274 -11.690 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.592 -12.305 -4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.207 -13.118 -3.212 1.00 0.00 H new ATOM 558 N VAL A 40 7.507 -9.724 -1.018 1.00 0.00 N ATOM 559 CA VAL A 40 7.276 -8.526 -0.220 1.00 0.00 C ATOM 560 C VAL A 40 6.901 -7.338 -1.098 1.00 0.00 C ATOM 561 O VAL A 40 7.707 -6.861 -1.896 1.00 0.00 O ATOM 562 CB VAL A 40 8.516 -8.158 0.616 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.190 -7.037 1.589 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.043 -9.379 1.354 1.00 0.00 C ATOM 0 H VAL A 40 8.112 -9.585 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 40 6.447 -8.753 0.451 1.00 0.00 H new ATOM 0 HB VAL A 40 9.296 -7.806 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.078 -6.791 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.864 -6.157 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.394 -7.358 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.919 -9.100 1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.270 -9.764 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.318 -10.149 0.633 1.00 0.00 H new ATOM 574 N VAL A 41 5.671 -6.862 -0.939 1.00 0.00 N ATOM 575 CA VAL A 41 5.184 -5.725 -1.711 1.00 0.00 C ATOM 576 C VAL A 41 5.093 -4.473 -0.844 1.00 0.00 C ATOM 577 O VAL A 41 4.571 -4.514 0.270 1.00 0.00 O ATOM 578 CB VAL A 41 3.801 -6.008 -2.326 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.389 -4.882 -3.263 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.805 -7.342 -3.054 1.00 0.00 C ATOM 0 H VAL A 41 4.992 -7.246 -0.282 1.00 0.00 H new ATOM 0 HA VAL A 41 5.902 -5.561 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 41 3.070 -6.061 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.409 -5.102 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.343 -3.945 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.120 -4.792 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.820 -7.526 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.549 -7.319 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.050 -8.139 -2.352 1.00 0.00 H new ATOM 590 N GLY A 42 5.604 -3.362 -1.365 1.00 0.00 N ATOM 591 CA GLY A 42 5.569 -2.113 -0.626 1.00 0.00 C ATOM 592 C GLY A 42 6.830 -1.881 0.182 1.00 0.00 C ATOM 593 O GLY A 42 7.739 -2.711 0.180 1.00 0.00 O ATOM 0 H GLY A 42 6.041 -3.304 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.431 -1.286 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.708 -2.114 0.043 1.00 0.00 H new ATOM 597 N ASP A 43 6.885 -0.748 0.876 1.00 0.00 N ATOM 598 CA ASP A 43 8.045 -0.408 1.693 1.00 0.00 C ATOM 599 C ASP A 43 7.765 0.822 2.551 1.00 0.00 C ATOM 600 O ASP A 43 6.626 1.280 2.645 1.00 0.00 O ATOM 601 CB ASP A 43 9.266 -0.159 0.805 1.00 0.00 C ATOM 602 CG ASP A 43 10.538 -0.729 1.401 1.00 0.00 C ATOM 603 OD1 ASP A 43 10.692 -1.968 1.400 1.00 0.00 O ATOM 604 OD2 ASP A 43 11.382 0.065 1.868 1.00 0.00 O ATOM 0 H ASP A 43 6.141 -0.051 0.889 1.00 0.00 H new ATOM 0 HA ASP A 43 8.252 -1.250 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.096 -0.604 -0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.388 0.913 0.652 1.00 0.00 H new ATOM 609 N ARG A 44 8.813 1.353 3.173 1.00 0.00 N ATOM 610 CA ARG A 44 8.683 2.531 4.022 1.00 0.00 C ATOM 611 C ARG A 44 8.276 3.752 3.202 1.00 0.00 C ATOM 612 O ARG A 44 9.043 4.239 2.374 1.00 0.00 O ATOM 613 CB ARG A 44 10.000 2.806 4.752 1.00 0.00 C ATOM 614 CG ARG A 44 10.026 2.281 6.178 1.00 0.00 C ATOM 615 CD ARG A 44 11.008 3.059 7.041 1.00 0.00 C ATOM 616 NE ARG A 44 10.656 3.000 8.458 1.00 0.00 N ATOM 617 CZ ARG A 44 11.459 3.405 9.438 1.00 0.00 C ATOM 618 NH1 ARG A 44 12.660 3.899 9.162 1.00 0.00 N ATOM 619 NH2 ARG A 44 11.061 3.317 10.700 1.00 0.00 N ATOM 0 H ARG A 44 9.762 0.986 3.105 1.00 0.00 H new ATOM 0 HA ARG A 44 7.902 2.335 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.818 2.353 4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.180 3.881 4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.028 2.349 6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.300 1.226 6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.012 2.658 6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.031 4.099 6.716 1.00 0.00 H new ATOM 0 HE ARG A 44 9.741 2.626 8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.972 3.970 8.193 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.271 4.208 9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.139 2.939 10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.677 3.627 11.452 1.00 0.00 H new ATOM 633 N VAL A 45 7.062 4.240 3.440 1.00 0.00 N ATOM 634 CA VAL A 45 6.553 5.403 2.724 1.00 0.00 C ATOM 635 C VAL A 45 5.267 5.921 3.363 1.00 0.00 C ATOM 636 O VAL A 45 4.292 5.186 3.504 1.00 0.00 O ATOM 637 CB VAL A 45 6.286 5.077 1.240 1.00 0.00 C ATOM 638 CG1 VAL A 45 5.229 3.990 1.110 1.00 0.00 C ATOM 639 CG2 VAL A 45 5.872 6.329 0.482 1.00 0.00 C ATOM 0 H VAL A 45 6.414 3.848 4.123 1.00 0.00 H new ATOM 0 HA VAL A 45 7.320 6.175 2.784 1.00 0.00 H new ATOM 0 HB VAL A 45 7.211 4.704 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.056 3.775 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.573 3.086 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.300 4.329 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.688 6.078 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.962 6.737 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.668 7.071 0.542 1.00 0.00 H new ATOM 649 N ILE A 46 5.276 7.194 3.749 1.00 0.00 N ATOM 650 CA ILE A 46 4.112 7.811 4.374 1.00 0.00 C ATOM 651 C ILE A 46 3.029 8.113 3.343 1.00 0.00 C ATOM 652 O ILE A 46 3.292 8.741 2.318 1.00 0.00 O ATOM 653 CB ILE A 46 4.489 9.116 5.101 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.710 8.894 5.995 1.00 0.00 C ATOM 655 CG2 ILE A 46 3.312 9.625 5.917 1.00 0.00 C ATOM 656 CD1 ILE A 46 5.484 7.863 7.081 1.00 0.00 C ATOM 0 H ILE A 46 6.076 7.817 3.640 1.00 0.00 H new ATOM 0 HA ILE A 46 3.729 7.096 5.102 1.00 0.00 H new ATOM 0 HB ILE A 46 4.742 9.870 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.551 8.580 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.989 9.841 6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.593 10.547 6.425 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.467 9.818 5.256 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.030 8.875 6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.391 7.757 7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.664 8.185 7.723 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.234 6.904 6.626 1.00 0.00 H new ATOM 668 N ASP A 47 1.810 7.662 3.623 1.00 0.00 N ATOM 669 CA ASP A 47 0.687 7.886 2.720 1.00 0.00 C ATOM 670 C ASP A 47 -0.161 9.064 3.188 1.00 0.00 C ATOM 671 O ASP A 47 -1.154 8.885 3.895 1.00 0.00 O ATOM 672 CB ASP A 47 -0.177 6.627 2.624 1.00 0.00 C ATOM 673 CG ASP A 47 -1.134 6.671 1.449 1.00 0.00 C ATOM 674 OD1 ASP A 47 -0.794 7.311 0.431 1.00 0.00 O ATOM 675 OD2 ASP A 47 -2.222 6.067 1.546 1.00 0.00 O ATOM 0 H ASP A 47 1.575 7.140 4.467 1.00 0.00 H new ATOM 0 HA ASP A 47 1.088 8.119 1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.468 5.753 2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.744 6.508 3.547 1.00 0.00 H new ATOM 680 N VAL A 48 0.235 10.268 2.790 1.00 0.00 N ATOM 681 CA VAL A 48 -0.489 11.475 3.169 1.00 0.00 C ATOM 682 C VAL A 48 -0.574 12.455 2.003 1.00 0.00 C ATOM 683 O VAL A 48 0.424 12.729 1.335 1.00 0.00 O ATOM 684 CB VAL A 48 0.174 12.174 4.372 1.00 0.00 C ATOM 685 CG1 VAL A 48 1.592 12.603 4.030 1.00 0.00 C ATOM 686 CG2 VAL A 48 -0.658 13.364 4.826 1.00 0.00 C ATOM 0 H VAL A 48 1.054 10.434 2.205 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.495 11.166 3.451 1.00 0.00 H new ATOM 0 HB VAL A 48 0.226 11.462 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.042 13.094 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.183 11.727 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.570 13.296 3.189 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.173 13.844 5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.747 14.079 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.651 13.023 5.120 1.00 0.00 H new ATOM 696 N GLY A 49 -1.771 12.979 1.764 1.00 0.00 N ATOM 697 CA GLY A 49 -1.967 13.922 0.679 1.00 0.00 C ATOM 698 C GLY A 49 -3.426 14.062 0.292 1.00 0.00 C ATOM 699 O GLY A 49 -3.884 15.155 -0.044 1.00 0.00 O ATOM 0 H GLY A 49 -2.610 12.767 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.577 14.896 0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.393 13.597 -0.189 1.00 0.00 H new ATOM 703 N SER A 50 -4.156 12.953 0.339 1.00 0.00 N ATOM 704 CA SER A 50 -5.573 12.955 -0.008 1.00 0.00 C ATOM 705 C SER A 50 -6.439 12.957 1.247 1.00 0.00 C ATOM 706 O SER A 50 -7.233 13.873 1.464 1.00 0.00 O ATOM 707 CB SER A 50 -5.909 11.738 -0.874 1.00 0.00 C ATOM 708 OG SER A 50 -5.855 12.062 -2.252 1.00 0.00 O ATOM 0 H SER A 50 -3.790 12.041 0.614 1.00 0.00 H new ATOM 0 HA SER A 50 -5.783 13.863 -0.574 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.209 10.931 -0.659 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.904 11.372 -0.622 1.00 0.00 H new ATOM 0 HG SER A 50 -6.072 11.268 -2.784 1.00 0.00 H new ATOM 714 N GLU A 51 -6.281 11.926 2.071 1.00 0.00 N ATOM 715 CA GLU A 51 -7.049 11.806 3.306 1.00 0.00 C ATOM 716 C GLU A 51 -8.538 11.659 3.009 1.00 0.00 C ATOM 717 O GLU A 51 -9.372 12.340 3.605 1.00 0.00 O ATOM 718 CB GLU A 51 -6.811 13.026 4.200 1.00 0.00 C ATOM 719 CG GLU A 51 -7.147 12.783 5.663 1.00 0.00 C ATOM 720 CD GLU A 51 -7.648 14.032 6.361 1.00 0.00 C ATOM 721 OE1 GLU A 51 -8.429 14.786 5.741 1.00 0.00 O ATOM 722 OE2 GLU A 51 -7.261 14.257 7.526 1.00 0.00 O ATOM 0 H GLU A 51 -5.627 11.161 1.906 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.712 10.911 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.766 13.326 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.410 13.859 3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.905 12.003 5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.261 12.413 6.179 1.00 0.00 H new ATOM 729 N TRP A 52 -8.864 10.763 2.083 1.00 0.00 N ATOM 730 CA TRP A 52 -10.254 10.524 1.705 1.00 0.00 C ATOM 731 C TRP A 52 -10.944 9.608 2.710 1.00 0.00 C ATOM 732 O TRP A 52 -10.326 9.139 3.665 1.00 0.00 O ATOM 733 CB TRP A 52 -10.336 9.913 0.302 1.00 0.00 C ATOM 734 CG TRP A 52 -9.318 8.841 0.052 1.00 0.00 C ATOM 735 CD1 TRP A 52 -8.209 8.935 -0.740 1.00 0.00 C ATOM 736 CD2 TRP A 52 -9.313 7.515 0.594 1.00 0.00 C ATOM 737 NE1 TRP A 52 -7.515 7.749 -0.723 1.00 0.00 N ATOM 738 CE2 TRP A 52 -8.172 6.862 0.089 1.00 0.00 C ATOM 739 CE3 TRP A 52 -10.162 6.817 1.458 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -7.860 5.547 0.420 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -9.850 5.511 1.786 1.00 0.00 C ATOM 742 CH2 TRP A 52 -8.707 4.888 1.269 1.00 0.00 C ATOM 0 H TRP A 52 -8.186 10.190 1.580 1.00 0.00 H new ATOM 0 HA TRP A 52 -10.767 11.486 1.702 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -11.333 9.497 0.154 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -10.207 10.704 -0.437 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -7.920 9.813 -1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -6.652 7.560 -1.232 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -11.045 7.289 1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -6.981 5.064 0.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.499 4.962 2.452 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -8.490 3.867 1.546 1.00 0.00 H new ATOM 753 N ARG A 53 -12.231 9.358 2.487 1.00 0.00 N ATOM 754 CA ARG A 53 -13.009 8.498 3.371 1.00 0.00 C ATOM 755 C ARG A 53 -13.647 7.353 2.589 1.00 0.00 C ATOM 756 O ARG A 53 -13.408 7.196 1.392 1.00 0.00 O ATOM 757 CB ARG A 53 -14.094 9.311 4.082 1.00 0.00 C ATOM 758 CG ARG A 53 -13.693 9.776 5.473 1.00 0.00 C ATOM 759 CD ARG A 53 -14.907 10.178 6.295 1.00 0.00 C ATOM 760 NE ARG A 53 -15.423 9.066 7.090 1.00 0.00 N ATOM 761 CZ ARG A 53 -16.648 9.032 7.608 1.00 0.00 C ATOM 762 NH1 ARG A 53 -17.486 10.044 7.420 1.00 0.00 N ATOM 763 NH2 ARG A 53 -17.037 7.981 8.320 1.00 0.00 N ATOM 0 H ARG A 53 -12.757 9.740 1.701 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.334 8.076 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.341 10.181 3.474 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.998 8.707 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.154 8.978 5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.010 10.622 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.640 11.003 6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.690 10.542 5.630 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.808 8.269 7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.192 10.855 6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.424 10.011 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.397 7.201 8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.976 7.954 8.718 1.00 0.00 H new ATOM 777 N THR A 54 -14.462 6.558 3.275 1.00 0.00 N ATOM 778 CA THR A 54 -15.139 5.429 2.647 1.00 0.00 C ATOM 779 C THR A 54 -16.652 5.601 2.711 1.00 0.00 C ATOM 780 O THR A 54 -17.160 6.440 3.456 1.00 0.00 O ATOM 781 CB THR A 54 -14.733 4.120 3.326 1.00 0.00 C ATOM 782 OG1 THR A 54 -15.325 3.012 2.673 1.00 0.00 O ATOM 783 CG2 THR A 54 -15.127 4.056 4.786 1.00 0.00 C ATOM 0 H THR A 54 -14.670 6.675 4.267 1.00 0.00 H new ATOM 0 HA THR A 54 -14.838 5.393 1.600 1.00 0.00 H new ATOM 0 HB THR A 54 -13.646 4.084 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.052 2.184 3.121 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.810 3.102 5.207 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.646 4.870 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.209 4.150 4.875 1.00 0.00 H new ATOM 791 N PHE A 55 -17.370 4.802 1.929 1.00 0.00 N ATOM 792 CA PHE A 55 -18.825 4.868 1.901 1.00 0.00 C ATOM 793 C PHE A 55 -19.421 4.250 3.161 1.00 0.00 C ATOM 794 O PHE A 55 -19.285 3.050 3.400 1.00 0.00 O ATOM 795 CB PHE A 55 -19.366 4.150 0.663 1.00 0.00 C ATOM 796 CG PHE A 55 -19.497 5.043 -0.539 1.00 0.00 C ATOM 797 CD1 PHE A 55 -18.429 5.818 -0.960 1.00 0.00 C ATOM 798 CD2 PHE A 55 -20.687 5.105 -1.245 1.00 0.00 C ATOM 799 CE1 PHE A 55 -18.546 6.640 -2.065 1.00 0.00 C ATOM 800 CE2 PHE A 55 -20.809 5.926 -2.351 1.00 0.00 C ATOM 801 CZ PHE A 55 -19.738 6.694 -2.762 1.00 0.00 C ATOM 0 H PHE A 55 -16.967 4.101 1.306 1.00 0.00 H new ATOM 0 HA PHE A 55 -19.115 5.918 1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -18.706 3.318 0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -20.342 3.724 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -17.495 5.780 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -21.528 4.506 -0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -17.706 7.240 -2.384 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -21.742 5.966 -2.893 1.00 0.00 H new ATOM 0 HZ PHE A 55 -19.831 7.335 -3.626 1.00 0.00 H new ATOM 811 N SER A 56 -20.079 5.078 3.966 1.00 0.00 N ATOM 812 CA SER A 56 -20.692 4.611 5.204 1.00 0.00 C ATOM 813 C SER A 56 -21.937 5.427 5.539 1.00 0.00 C ATOM 814 O SER A 56 -22.986 4.871 5.863 1.00 0.00 O ATOM 815 CB SER A 56 -19.690 4.694 6.357 1.00 0.00 C ATOM 816 OG SER A 56 -19.782 3.556 7.196 1.00 0.00 O ATOM 0 H SER A 56 -20.201 6.074 3.784 1.00 0.00 H new ATOM 0 HA SER A 56 -20.988 3.572 5.062 1.00 0.00 H new ATOM 0 HB2 SER A 56 -18.679 4.775 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.876 5.596 6.940 1.00 0.00 H new ATOM 0 HG SER A 56 -19.130 3.633 7.924 1.00 0.00 H new ATOM 822 N ASN A 57 -21.812 6.749 5.458 1.00 0.00 N ATOM 823 CA ASN A 57 -22.925 7.648 5.753 1.00 0.00 C ATOM 824 C ASN A 57 -23.270 7.619 7.238 1.00 0.00 C ATOM 825 O ASN A 57 -23.055 8.598 7.954 1.00 0.00 O ATOM 826 CB ASN A 57 -24.155 7.270 4.922 1.00 0.00 C ATOM 827 CG ASN A 57 -23.825 7.084 3.454 1.00 0.00 C ATOM 828 OD1 ASN A 57 -23.112 6.153 3.079 1.00 0.00 O ATOM 829 ND2 ASN A 57 -24.344 7.972 2.614 1.00 0.00 N ATOM 0 H ASN A 57 -20.949 7.223 5.190 1.00 0.00 H new ATOM 0 HA ASN A 57 -22.618 8.660 5.489 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -24.586 6.349 5.314 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -24.913 8.046 5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -24.157 7.898 1.614 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -24.930 8.728 2.969 1.00 0.00 H new ATOM 836 N ASP A 58 -23.805 6.491 7.697 1.00 0.00 N ATOM 837 CA ASP A 58 -24.178 6.336 9.099 1.00 0.00 C ATOM 838 C ASP A 58 -24.589 4.898 9.396 1.00 0.00 C ATOM 839 O ASP A 58 -23.848 4.148 10.031 1.00 0.00 O ATOM 840 CB ASP A 58 -25.321 7.291 9.454 1.00 0.00 C ATOM 841 CG ASP A 58 -24.823 8.599 10.037 1.00 0.00 C ATOM 842 OD1 ASP A 58 -24.107 8.559 11.059 1.00 0.00 O ATOM 843 OD2 ASP A 58 -25.150 9.663 9.471 1.00 0.00 O ATOM 0 H ASP A 58 -23.990 5.671 7.119 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.309 6.580 9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -25.910 7.496 8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -25.986 6.807 10.170 1.00 0.00 H new ATOM 848 N LYS A 59 -25.777 4.520 8.934 1.00 0.00 N ATOM 849 CA LYS A 59 -26.287 3.170 9.150 1.00 0.00 C ATOM 850 C LYS A 59 -26.456 2.885 10.638 1.00 0.00 C ATOM 851 O LYS A 59 -26.314 1.745 11.082 1.00 0.00 O ATOM 852 CB LYS A 59 -25.346 2.139 8.524 1.00 0.00 C ATOM 853 CG LYS A 59 -25.946 0.745 8.432 1.00 0.00 C ATOM 854 CD LYS A 59 -24.903 -0.329 8.700 1.00 0.00 C ATOM 855 CE LYS A 59 -25.549 -1.684 8.939 1.00 0.00 C ATOM 856 NZ LYS A 59 -24.751 -2.521 9.878 1.00 0.00 N ATOM 857 OXT LYS A 59 -26.784 3.954 11.529 1.00 0.00 O ATOM 0 H LYS A 59 -26.404 5.129 8.408 1.00 0.00 H new ATOM 0 HA LYS A 59 -27.263 3.096 8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.068 2.473 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -24.429 2.093 9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -26.760 0.650 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -26.376 0.597 7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -24.220 -0.394 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.307 -0.050 9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.552 -1.542 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.658 -2.207 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.225 -3.437 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.802 -2.678 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.668 -2.034 10.793 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.616 -15.813 -3.829 1.00 0.00 ZN