USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=8 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 -28:sc= 0.865 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 1.180 9.804 -12.966 1.00 0.00 N ATOM 2 CA ALA A 2 2.084 8.987 -13.815 1.00 0.00 C ATOM 3 C ALA A 2 1.552 8.886 -15.240 1.00 0.00 C ATOM 4 O ALA A 2 2.322 8.780 -16.195 1.00 0.00 O ATOM 5 CB ALA A 2 2.257 7.598 -13.218 1.00 0.00 C ATOM 0 HA ALA A 2 3.055 9.481 -13.849 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.922 7.010 -13.851 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.686 7.682 -12.220 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.287 7.105 -13.155 1.00 0.00 H new ATOM 13 N SER A 3 0.230 8.919 -15.377 1.00 0.00 N ATOM 14 CA SER A 3 -0.404 8.833 -16.687 1.00 0.00 C ATOM 15 C SER A 3 -0.264 10.147 -17.448 1.00 0.00 C ATOM 16 O SER A 3 -1.112 11.032 -17.338 1.00 0.00 O ATOM 17 CB SER A 3 -1.884 8.471 -16.536 1.00 0.00 C ATOM 18 OG SER A 3 -2.050 7.082 -16.312 1.00 0.00 O ATOM 0 H SER A 3 -0.422 9.005 -14.597 1.00 0.00 H new ATOM 0 HA SER A 3 0.099 8.051 -17.256 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.315 9.030 -15.706 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.427 8.765 -17.434 1.00 0.00 H new ATOM 0 HG SER A 3 -3.004 6.878 -16.218 1.00 0.00 H new ATOM 24 N THR A 4 0.811 10.266 -18.221 1.00 0.00 N ATOM 25 CA THR A 4 1.062 11.473 -19.001 1.00 0.00 C ATOM 26 C THR A 4 1.625 11.123 -20.375 1.00 0.00 C ATOM 27 O THR A 4 1.167 11.641 -21.394 1.00 0.00 O ATOM 28 CB THR A 4 2.031 12.394 -18.258 1.00 0.00 C ATOM 29 OG1 THR A 4 2.264 13.578 -18.998 1.00 0.00 O ATOM 30 CG2 THR A 4 3.373 11.752 -17.983 1.00 0.00 C ATOM 0 H THR A 4 1.522 9.542 -18.324 1.00 0.00 H new ATOM 0 HA THR A 4 0.113 11.992 -19.138 1.00 0.00 H new ATOM 0 HB THR A 4 1.549 12.613 -17.305 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.885 14.155 -18.506 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.013 12.458 -17.454 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.232 10.861 -17.371 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.843 11.473 -18.926 1.00 0.00 H new ATOM 38 N SER A 5 2.618 10.241 -20.396 1.00 0.00 N ATOM 39 CA SER A 5 3.242 9.822 -21.645 1.00 0.00 C ATOM 40 C SER A 5 3.376 8.304 -21.703 1.00 0.00 C ATOM 41 O SER A 5 2.803 7.653 -22.576 1.00 0.00 O ATOM 42 CB SER A 5 4.617 10.473 -21.797 1.00 0.00 C ATOM 43 OG SER A 5 4.513 11.886 -21.822 1.00 0.00 O ATOM 0 H SER A 5 3.008 9.802 -19.562 1.00 0.00 H new ATOM 0 HA SER A 5 2.603 10.144 -22.467 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.261 10.167 -20.972 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.089 10.124 -22.716 1.00 0.00 H new ATOM 0 HG SER A 5 5.406 12.278 -21.918 1.00 0.00 H new ATOM 49 N ARG A 6 4.135 7.747 -20.766 1.00 0.00 N ATOM 50 CA ARG A 6 4.344 6.305 -20.709 1.00 0.00 C ATOM 51 C ARG A 6 4.702 5.862 -19.294 1.00 0.00 C ATOM 52 O ARG A 6 4.974 6.690 -18.424 1.00 0.00 O ATOM 53 CB ARG A 6 5.450 5.890 -21.680 1.00 0.00 C ATOM 54 CG ARG A 6 5.265 4.491 -22.251 1.00 0.00 C ATOM 55 CD ARG A 6 5.306 4.494 -23.771 1.00 0.00 C ATOM 56 NE ARG A 6 6.588 4.016 -24.284 1.00 0.00 N ATOM 57 CZ ARG A 6 6.924 2.731 -24.359 1.00 0.00 C ATOM 58 NH1 ARG A 6 6.075 1.791 -23.958 1.00 0.00 N ATOM 59 NH2 ARG A 6 8.110 2.382 -24.838 1.00 0.00 N ATOM 0 H ARG A 6 4.616 8.272 -20.036 1.00 0.00 H new ATOM 0 HA ARG A 6 3.413 5.817 -20.999 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.489 6.606 -22.501 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.410 5.940 -21.167 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.046 3.835 -21.867 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.312 4.083 -21.913 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.504 3.865 -24.157 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.123 5.504 -24.137 1.00 0.00 H new ATOM 0 HE ARG A 6 7.265 4.709 -24.603 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.160 2.053 -23.590 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.338 0.807 -24.018 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.765 3.099 -25.149 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.367 1.397 -24.895 1.00 0.00 H new ATOM 73 N LEU A 7 4.699 4.552 -19.070 1.00 0.00 N ATOM 74 CA LEU A 7 5.024 3.999 -17.761 1.00 0.00 C ATOM 75 C LEU A 7 4.044 4.493 -16.702 1.00 0.00 C ATOM 76 O LEU A 7 4.212 5.579 -16.145 1.00 0.00 O ATOM 77 CB LEU A 7 6.454 4.376 -17.366 1.00 0.00 C ATOM 78 CG LEU A 7 7.227 3.288 -16.618 1.00 0.00 C ATOM 79 CD1 LEU A 7 6.446 2.820 -15.400 1.00 0.00 C ATOM 80 CD2 LEU A 7 7.529 2.119 -17.543 1.00 0.00 C ATOM 0 H LEU A 7 4.475 3.854 -19.779 1.00 0.00 H new ATOM 0 HA LEU A 7 4.946 2.914 -17.823 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.007 4.638 -18.268 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.419 5.269 -16.743 1.00 0.00 H new ATOM 0 HG LEU A 7 8.173 3.709 -16.277 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.011 2.046 -14.881 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.281 3.662 -14.728 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.485 2.416 -15.717 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.079 1.354 -16.995 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.595 1.698 -17.914 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.130 2.466 -18.384 1.00 0.00 H new ATOM 92 N ASP A 8 3.021 3.691 -16.427 1.00 0.00 N ATOM 93 CA ASP A 8 2.014 4.045 -15.435 1.00 0.00 C ATOM 94 C ASP A 8 1.967 3.013 -14.314 1.00 0.00 C ATOM 95 O ASP A 8 2.339 1.855 -14.507 1.00 0.00 O ATOM 96 CB ASP A 8 0.638 4.161 -16.093 1.00 0.00 C ATOM 97 CG ASP A 8 0.611 5.196 -17.200 1.00 0.00 C ATOM 98 OD1 ASP A 8 1.495 6.079 -17.208 1.00 0.00 O ATOM 99 OD2 ASP A 8 -0.292 5.123 -18.059 1.00 0.00 O ATOM 0 H ASP A 8 2.868 2.789 -16.879 1.00 0.00 H new ATOM 0 HA ASP A 8 2.287 5.009 -15.006 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.350 3.191 -16.499 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.102 4.423 -15.337 1.00 0.00 H new ATOM 104 N ALA A 9 1.511 3.440 -13.141 1.00 0.00 N ATOM 105 CA ALA A 9 1.418 2.551 -11.989 1.00 0.00 C ATOM 106 C ALA A 9 0.115 1.760 -12.012 1.00 0.00 C ATOM 107 O ALA A 9 -0.933 2.279 -12.399 1.00 0.00 O ATOM 108 CB ALA A 9 1.532 3.348 -10.698 1.00 0.00 C ATOM 0 H ALA A 9 1.200 4.395 -12.963 1.00 0.00 H new ATOM 0 HA ALA A 9 2.244 1.842 -12.039 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.461 2.672 -9.846 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.492 3.864 -10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.725 4.079 -10.649 1.00 0.00 H new ATOM 114 N LEU A 10 0.187 0.501 -11.594 1.00 0.00 N ATOM 115 CA LEU A 10 -0.986 -0.364 -11.565 1.00 0.00 C ATOM 116 C LEU A 10 -0.888 -1.377 -10.424 1.00 0.00 C ATOM 117 O LEU A 10 -0.188 -2.383 -10.539 1.00 0.00 O ATOM 118 CB LEU A 10 -1.138 -1.095 -12.900 1.00 0.00 C ATOM 119 CG LEU A 10 -1.777 -0.271 -14.020 1.00 0.00 C ATOM 120 CD1 LEU A 10 -1.410 -0.844 -15.380 1.00 0.00 C ATOM 121 CD2 LEU A 10 -3.289 -0.224 -13.849 1.00 0.00 C ATOM 0 H LEU A 10 1.046 0.057 -11.270 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.864 0.260 -11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.153 -1.426 -13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.739 -1.990 -12.740 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.392 0.747 -13.962 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.873 -0.245 -16.164 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.327 -0.826 -15.502 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.766 -1.872 -15.450 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.728 0.366 -14.654 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.690 -1.237 -13.881 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.533 0.233 -12.890 1.00 0.00 H new ATOM 133 N PRO A 11 -1.588 -1.125 -9.303 1.00 0.00 N ATOM 134 CA PRO A 11 -1.570 -2.024 -8.144 1.00 0.00 C ATOM 135 C PRO A 11 -1.827 -3.478 -8.530 1.00 0.00 C ATOM 136 O PRO A 11 -2.609 -3.761 -9.437 1.00 0.00 O ATOM 137 CB PRO A 11 -2.706 -1.494 -7.268 1.00 0.00 C ATOM 138 CG PRO A 11 -2.808 -0.050 -7.618 1.00 0.00 C ATOM 139 CD PRO A 11 -2.451 0.052 -9.076 1.00 0.00 C ATOM 0 HA PRO A 11 -0.599 -2.031 -7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.640 -2.018 -7.470 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.487 -1.631 -6.209 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.815 0.325 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.131 0.548 -7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.338 0.027 -9.709 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.927 0.982 -9.297 1.00 0.00 H new ATOM 147 N ARG A 12 -1.161 -4.394 -7.835 1.00 0.00 N ATOM 148 CA ARG A 12 -1.314 -5.819 -8.103 1.00 0.00 C ATOM 149 C ARG A 12 -2.085 -6.504 -6.980 1.00 0.00 C ATOM 150 O ARG A 12 -1.532 -6.788 -5.917 1.00 0.00 O ATOM 151 CB ARG A 12 0.057 -6.483 -8.276 1.00 0.00 C ATOM 152 CG ARG A 12 1.174 -5.813 -7.489 1.00 0.00 C ATOM 153 CD ARG A 12 2.520 -6.467 -7.761 1.00 0.00 C ATOM 154 NE ARG A 12 3.463 -5.541 -8.386 1.00 0.00 N ATOM 155 CZ ARG A 12 4.569 -5.924 -9.019 1.00 0.00 C ATOM 156 NH1 ARG A 12 4.876 -7.212 -9.115 1.00 0.00 N ATOM 157 NH2 ARG A 12 5.372 -5.017 -9.558 1.00 0.00 N ATOM 0 H ARG A 12 -0.510 -4.175 -7.081 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.880 -5.928 -9.028 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.015 -7.526 -7.968 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.320 -6.480 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.222 -4.756 -7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.952 -5.866 -6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.940 -6.835 -6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.378 -7.332 -8.409 1.00 0.00 H new ATOM 0 HE ARG A 12 3.261 -4.543 -8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.263 -7.915 -8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.725 -7.499 -9.602 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.142 -4.026 -9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.220 -5.310 -10.043 1.00 0.00 H new ATOM 171 N VAL A 13 -3.365 -6.764 -7.222 1.00 0.00 N ATOM 172 CA VAL A 13 -4.215 -7.413 -6.238 1.00 0.00 C ATOM 173 C VAL A 13 -3.868 -8.891 -6.095 1.00 0.00 C ATOM 174 O VAL A 13 -3.706 -9.600 -7.089 1.00 0.00 O ATOM 175 CB VAL A 13 -5.700 -7.280 -6.616 1.00 0.00 C ATOM 176 CG1 VAL A 13 -6.197 -5.868 -6.348 1.00 0.00 C ATOM 177 CG2 VAL A 13 -5.918 -7.664 -8.073 1.00 0.00 C ATOM 0 H VAL A 13 -3.836 -6.533 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.039 -6.912 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.276 -7.965 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.249 -5.795 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.081 -5.636 -5.289 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.618 -5.160 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.975 -7.564 -8.322 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.330 -7.007 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.605 -8.697 -8.228 1.00 0.00 H new ATOM 187 N THR A 14 -3.758 -9.350 -4.853 1.00 0.00 N ATOM 188 CA THR A 14 -3.433 -10.746 -4.574 1.00 0.00 C ATOM 189 C THR A 14 -2.130 -11.154 -5.254 1.00 0.00 C ATOM 190 O THR A 14 -1.401 -10.311 -5.778 1.00 0.00 O ATOM 191 CB THR A 14 -4.570 -11.661 -5.036 1.00 0.00 C ATOM 192 OG1 THR A 14 -4.523 -11.851 -6.438 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.946 -11.131 -4.691 1.00 0.00 C ATOM 0 H THR A 14 -3.889 -8.775 -4.021 1.00 0.00 H new ATOM 0 HA THR A 14 -3.306 -10.850 -3.497 1.00 0.00 H new ATOM 0 HB THR A 14 -4.417 -12.600 -4.504 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.106 -11.071 -6.860 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.704 -11.828 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.033 -11.021 -3.610 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.092 -10.161 -5.167 1.00 0.00 H new ATOM 201 N CYS A 15 -1.844 -12.451 -5.239 1.00 0.00 N ATOM 202 CA CYS A 15 -0.631 -12.975 -5.852 1.00 0.00 C ATOM 203 C CYS A 15 -0.915 -13.507 -7.257 1.00 0.00 C ATOM 204 O CYS A 15 -1.923 -14.180 -7.478 1.00 0.00 O ATOM 205 CB CYS A 15 -0.040 -14.086 -4.984 1.00 0.00 C ATOM 206 SG CYS A 15 1.569 -14.690 -5.549 1.00 0.00 S ATOM 0 H CYS A 15 -2.438 -13.160 -4.808 1.00 0.00 H new ATOM 0 HA CYS A 15 0.089 -12.160 -5.931 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.060 -13.719 -3.962 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.740 -14.921 -4.956 1.00 0.00 H new ATOM 211 N PRO A 16 -0.033 -13.213 -8.231 1.00 0.00 N ATOM 212 CA PRO A 16 -0.205 -13.668 -9.616 1.00 0.00 C ATOM 213 C PRO A 16 -0.188 -15.188 -9.738 1.00 0.00 C ATOM 214 O PRO A 16 -0.779 -15.751 -10.661 1.00 0.00 O ATOM 215 CB PRO A 16 0.997 -13.064 -10.356 1.00 0.00 C ATOM 216 CG PRO A 16 1.503 -11.980 -9.468 1.00 0.00 C ATOM 217 CD PRO A 16 1.194 -12.415 -8.066 1.00 0.00 C ATOM 0 HA PRO A 16 -1.169 -13.358 -10.020 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.766 -13.815 -10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.702 -12.670 -11.329 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.575 -11.833 -9.604 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.019 -11.030 -9.697 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.005 -13.005 -7.638 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.036 -11.563 -7.404 1.00 0.00 H new ATOM 225 N ASN A 17 0.499 -15.847 -8.811 1.00 0.00 N ATOM 226 CA ASN A 17 0.597 -17.304 -8.826 1.00 0.00 C ATOM 227 C ASN A 17 -0.106 -17.930 -7.620 1.00 0.00 C ATOM 228 O ASN A 17 -0.296 -19.145 -7.569 1.00 0.00 O ATOM 229 CB ASN A 17 2.065 -17.735 -8.852 1.00 0.00 C ATOM 230 CG ASN A 17 2.569 -17.989 -10.259 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.293 -19.033 -10.851 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.310 -17.031 -10.804 1.00 0.00 N ATOM 0 H ASN A 17 0.995 -15.398 -8.041 1.00 0.00 H new ATOM 0 HA ASN A 17 0.098 -17.658 -9.728 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.676 -16.963 -8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.185 -18.640 -8.257 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.675 -17.144 -11.750 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.514 -16.182 -10.277 1.00 0.00 H new ATOM 239 N HIS A 18 -0.490 -17.101 -6.653 1.00 0.00 N ATOM 240 CA HIS A 18 -1.169 -17.591 -5.458 1.00 0.00 C ATOM 241 C HIS A 18 -2.473 -16.833 -5.220 1.00 0.00 C ATOM 242 O HIS A 18 -2.565 -16.006 -4.313 1.00 0.00 O ATOM 243 CB HIS A 18 -0.256 -17.461 -4.236 1.00 0.00 C ATOM 244 CG HIS A 18 0.988 -18.287 -4.325 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.232 -17.726 -4.153 1.00 0.00 N ATOM 246 CD2 HIS A 18 1.123 -19.613 -4.564 1.00 0.00 C ATOM 247 CE1 HIS A 18 3.091 -18.725 -4.286 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.465 -19.885 -4.537 1.00 0.00 N ATOM 0 H HIS A 18 -0.343 -16.092 -6.673 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.407 -18.643 -5.613 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.021 -16.414 -4.110 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.812 -17.752 -3.345 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.326 -20.320 -4.742 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.163 -18.619 -4.203 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.904 -20.794 -4.680 1.00 0.00 H new ATOM 256 N PRO A 19 -3.507 -17.110 -6.035 1.00 0.00 N ATOM 257 CA PRO A 19 -4.811 -16.452 -5.909 1.00 0.00 C ATOM 258 C PRO A 19 -5.428 -16.656 -4.529 1.00 0.00 C ATOM 259 O PRO A 19 -5.747 -15.693 -3.831 1.00 0.00 O ATOM 260 CB PRO A 19 -5.669 -17.133 -6.981 1.00 0.00 C ATOM 261 CG PRO A 19 -4.693 -17.706 -7.948 1.00 0.00 C ATOM 262 CD PRO A 19 -3.486 -18.084 -7.141 1.00 0.00 C ATOM 0 HA PRO A 19 -4.732 -15.372 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.298 -17.910 -6.548 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.334 -16.419 -7.467 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.111 -18.575 -8.456 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.435 -16.980 -8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.549 -19.109 -6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.570 -18.010 -7.727 1.00 0.00 H new ATOM 270 N ASP A 20 -5.594 -17.917 -4.143 1.00 0.00 N ATOM 271 CA ASP A 20 -6.173 -18.249 -2.846 1.00 0.00 C ATOM 272 C ASP A 20 -5.317 -17.697 -1.711 1.00 0.00 C ATOM 273 O ASP A 20 -5.839 -17.176 -0.724 1.00 0.00 O ATOM 274 CB ASP A 20 -6.317 -19.765 -2.702 1.00 0.00 C ATOM 275 CG ASP A 20 -7.254 -20.358 -3.735 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.843 -20.480 -4.908 1.00 0.00 O ATOM 277 OD2 ASP A 20 -8.399 -20.702 -3.371 1.00 0.00 O ATOM 0 H ASP A 20 -5.336 -18.725 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.160 -17.790 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.336 -20.231 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.687 -19.999 -1.704 1.00 0.00 H new ATOM 282 N ALA A 21 -4.001 -17.814 -1.857 1.00 0.00 N ATOM 283 CA ALA A 21 -3.074 -17.325 -0.844 1.00 0.00 C ATOM 284 C ALA A 21 -2.732 -15.857 -1.076 1.00 0.00 C ATOM 285 O ALA A 21 -1.651 -15.530 -1.565 1.00 0.00 O ATOM 286 CB ALA A 21 -1.810 -18.171 -0.834 1.00 0.00 C ATOM 0 H ALA A 21 -3.553 -18.243 -2.667 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.559 -17.407 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.126 -17.795 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.067 -19.207 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.329 -18.119 -1.811 1.00 0.00 H new ATOM 292 N ILE A 22 -3.662 -14.977 -0.721 1.00 0.00 N ATOM 293 CA ILE A 22 -3.463 -13.543 -0.890 1.00 0.00 C ATOM 294 C ILE A 22 -2.437 -13.012 0.107 1.00 0.00 C ATOM 295 O ILE A 22 -2.397 -13.445 1.260 1.00 0.00 O ATOM 296 CB ILE A 22 -4.786 -12.770 -0.709 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.890 -13.393 -1.565 1.00 0.00 C ATOM 298 CG2 ILE A 22 -4.600 -11.302 -1.064 1.00 0.00 C ATOM 299 CD1 ILE A 22 -7.218 -13.505 -0.849 1.00 0.00 C ATOM 0 H ILE A 22 -4.562 -15.232 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.095 -13.389 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.083 -12.835 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.022 -12.794 -2.466 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.574 -14.386 -1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.544 -10.773 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.843 -10.864 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.280 -11.217 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.954 -13.955 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.102 -14.128 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.556 -12.512 -0.553 1.00 0.00 H new ATOM 311 N LEU A 23 -1.613 -12.065 -0.340 1.00 0.00 N ATOM 312 CA LEU A 23 -0.590 -11.469 0.518 1.00 0.00 C ATOM 313 C LEU A 23 -1.186 -11.063 1.865 1.00 0.00 C ATOM 314 O LEU A 23 -2.405 -11.073 2.043 1.00 0.00 O ATOM 315 CB LEU A 23 0.027 -10.249 -0.167 1.00 0.00 C ATOM 316 CG LEU A 23 1.171 -10.557 -1.135 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.659 -11.331 -2.340 1.00 0.00 C ATOM 318 CD2 LEU A 23 1.854 -9.271 -1.578 1.00 0.00 C ATOM 0 H LEU A 23 -1.634 -11.694 -1.290 1.00 0.00 H new ATOM 0 HA LEU A 23 0.188 -12.213 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.757 -9.722 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.395 -9.568 0.601 1.00 0.00 H new ATOM 0 HG LEU A 23 1.903 -11.176 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.487 -11.540 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.215 -12.270 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.093 -10.738 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.665 -9.508 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.130 -8.628 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.257 -8.754 -0.707 1.00 0.00 H new ATOM 330 N VAL A 24 -0.324 -10.709 2.813 1.00 0.00 N ATOM 331 CA VAL A 24 -0.775 -10.304 4.138 1.00 0.00 C ATOM 332 C VAL A 24 0.002 -9.093 4.640 1.00 0.00 C ATOM 333 O VAL A 24 1.101 -8.808 4.166 1.00 0.00 O ATOM 334 CB VAL A 24 -0.630 -11.450 5.157 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.360 -11.115 6.447 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.142 -12.757 4.571 1.00 0.00 C ATOM 0 H VAL A 24 0.688 -10.695 2.688 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.829 -10.042 4.044 1.00 0.00 H new ATOM 0 HB VAL A 24 0.428 -11.572 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.246 -11.937 7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.940 -10.206 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.419 -10.962 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.031 -13.554 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.194 -12.650 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.568 -13.005 3.678 1.00 0.00 H new ATOM 346 N GLU A 25 -0.579 -8.381 5.600 1.00 0.00 N ATOM 347 CA GLU A 25 0.056 -7.197 6.165 1.00 0.00 C ATOM 348 C GLU A 25 1.084 -7.579 7.226 1.00 0.00 C ATOM 349 O GLU A 25 0.863 -8.495 8.017 1.00 0.00 O ATOM 350 CB GLU A 25 -0.998 -6.269 6.774 1.00 0.00 C ATOM 351 CG GLU A 25 -1.937 -6.969 7.742 1.00 0.00 C ATOM 352 CD GLU A 25 -2.136 -6.189 9.027 1.00 0.00 C ATOM 353 OE1 GLU A 25 -2.290 -4.951 8.952 1.00 0.00 O ATOM 354 OE2 GLU A 25 -2.139 -6.815 10.107 1.00 0.00 O ATOM 0 H GLU A 25 -1.489 -8.604 6.003 1.00 0.00 H new ATOM 0 HA GLU A 25 0.571 -6.675 5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.495 -5.453 7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.584 -5.822 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.903 -7.121 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.540 -7.956 7.978 1.00 0.00 H new ATOM 361 N ASP A 26 2.209 -6.871 7.235 1.00 0.00 N ATOM 362 CA ASP A 26 3.271 -7.134 8.198 1.00 0.00 C ATOM 363 C ASP A 26 2.966 -6.474 9.541 1.00 0.00 C ATOM 364 O ASP A 26 3.072 -7.105 10.592 1.00 0.00 O ATOM 365 CB ASP A 26 4.613 -6.633 7.661 1.00 0.00 C ATOM 366 CG ASP A 26 5.487 -7.760 7.148 1.00 0.00 C ATOM 367 OD1 ASP A 26 5.373 -8.888 7.675 1.00 0.00 O ATOM 368 OD2 ASP A 26 6.286 -7.518 6.219 1.00 0.00 O ATOM 0 H ASP A 26 2.408 -6.110 6.585 1.00 0.00 H new ATOM 0 HA ASP A 26 3.330 -8.212 8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.436 -5.919 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.141 -6.098 8.451 1.00 0.00 H new ATOM 373 N TYR A 27 2.588 -5.199 9.497 1.00 0.00 N ATOM 374 CA TYR A 27 2.269 -4.455 10.713 1.00 0.00 C ATOM 375 C TYR A 27 1.874 -3.015 10.391 1.00 0.00 C ATOM 376 O TYR A 27 1.014 -2.436 11.054 1.00 0.00 O ATOM 377 CB TYR A 27 3.462 -4.465 11.673 1.00 0.00 C ATOM 378 CG TYR A 27 3.330 -5.472 12.792 1.00 0.00 C ATOM 379 CD1 TYR A 27 2.254 -5.426 13.669 1.00 0.00 C ATOM 380 CD2 TYR A 27 4.282 -6.467 12.971 1.00 0.00 C ATOM 381 CE1 TYR A 27 2.130 -6.345 14.695 1.00 0.00 C ATOM 382 CE2 TYR A 27 4.166 -7.389 13.994 1.00 0.00 C ATOM 383 CZ TYR A 27 3.089 -7.324 14.853 1.00 0.00 C ATOM 384 OH TYR A 27 2.969 -8.240 15.873 1.00 0.00 O ATOM 0 H TYR A 27 2.495 -4.661 8.636 1.00 0.00 H new ATOM 0 HA TYR A 27 1.421 -4.945 11.191 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.370 -4.678 11.109 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.580 -3.470 12.103 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.502 -4.660 13.548 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.127 -6.521 12.300 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.287 -6.297 15.369 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.915 -8.157 14.120 1.00 0.00 H new ATOM 0 HH TYR A 27 3.726 -8.862 15.845 1.00 0.00 H new ATOM 394 N ARG A 28 2.511 -2.440 9.375 1.00 0.00 N ATOM 395 CA ARG A 28 2.226 -1.065 8.975 1.00 0.00 C ATOM 396 C ARG A 28 1.193 -1.010 7.858 1.00 0.00 C ATOM 397 O ARG A 28 1.073 -0.009 7.150 1.00 0.00 O ATOM 398 CB ARG A 28 3.508 -0.377 8.524 1.00 0.00 C ATOM 399 CG ARG A 28 3.718 0.995 9.144 1.00 0.00 C ATOM 400 CD ARG A 28 4.911 1.709 8.527 1.00 0.00 C ATOM 401 NE ARG A 28 6.171 1.307 9.147 1.00 0.00 N ATOM 402 CZ ARG A 28 6.606 1.778 10.314 1.00 0.00 C ATOM 403 NH1 ARG A 28 5.889 2.668 10.988 1.00 0.00 N ATOM 404 NH2 ARG A 28 7.763 1.358 10.807 1.00 0.00 N ATOM 0 H ARG A 28 3.226 -2.903 8.815 1.00 0.00 H new ATOM 0 HA ARG A 28 1.816 -0.545 9.841 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.358 -1.012 8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.493 -0.277 7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.821 1.599 9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.871 0.890 10.218 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.948 1.495 7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.783 2.786 8.632 1.00 0.00 H new ATOM 0 HE ARG A 28 6.751 0.626 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.999 2.995 10.613 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.228 3.025 11.881 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.319 0.675 10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.097 1.718 11.701 1.00 0.00 H new ATOM 418 N ALA A 29 0.450 -2.089 7.714 1.00 0.00 N ATOM 419 CA ALA A 29 -0.586 -2.189 6.691 1.00 0.00 C ATOM 420 C ALA A 29 -0.049 -1.800 5.316 1.00 0.00 C ATOM 421 O ALA A 29 -0.791 -1.309 4.465 1.00 0.00 O ATOM 422 CB ALA A 29 -1.775 -1.314 7.059 1.00 0.00 C ATOM 0 H ALA A 29 0.542 -2.921 8.297 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.910 -3.229 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.541 -1.398 6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.185 -1.641 8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.452 -0.276 7.139 1.00 0.00 H new ATOM 428 N GLY A 30 1.244 -2.024 5.106 1.00 0.00 N ATOM 429 CA GLY A 30 1.856 -1.691 3.833 1.00 0.00 C ATOM 430 C GLY A 30 2.678 -2.834 3.271 1.00 0.00 C ATOM 431 O GLY A 30 2.570 -3.163 2.090 1.00 0.00 O ATOM 0 H GLY A 30 1.878 -2.430 5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.078 -1.421 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.493 -0.815 3.957 1.00 0.00 H new ATOM 435 N ASP A 31 3.501 -3.439 4.120 1.00 0.00 N ATOM 436 CA ASP A 31 4.345 -4.551 3.702 1.00 0.00 C ATOM 437 C ASP A 31 3.508 -5.798 3.433 1.00 0.00 C ATOM 438 O ASP A 31 3.166 -6.540 4.355 1.00 0.00 O ATOM 439 CB ASP A 31 5.399 -4.848 4.772 1.00 0.00 C ATOM 440 CG ASP A 31 6.749 -4.245 4.434 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.784 -3.078 3.991 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.771 -4.941 4.612 1.00 0.00 O ATOM 0 H ASP A 31 3.601 -3.178 5.101 1.00 0.00 H new ATOM 0 HA ASP A 31 4.847 -4.267 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.059 -4.458 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.504 -5.927 4.886 1.00 0.00 H new ATOM 447 N MET A 32 3.179 -6.021 2.164 1.00 0.00 N ATOM 448 CA MET A 32 2.383 -7.178 1.771 1.00 0.00 C ATOM 449 C MET A 32 3.273 -8.395 1.541 1.00 0.00 C ATOM 450 O MET A 32 4.121 -8.396 0.649 1.00 0.00 O ATOM 451 CB MET A 32 1.585 -6.866 0.503 1.00 0.00 C ATOM 452 CG MET A 32 0.766 -5.589 0.597 1.00 0.00 C ATOM 453 SD MET A 32 -0.148 -5.237 -0.916 1.00 0.00 S ATOM 454 CE MET A 32 -1.090 -3.798 -0.416 1.00 0.00 C ATOM 0 H MET A 32 3.452 -5.415 1.390 1.00 0.00 H new ATOM 0 HA MET A 32 1.690 -7.405 2.581 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.273 -6.785 -0.338 1.00 0.00 H new ATOM 0 HB3 MET A 32 0.917 -7.701 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.066 -5.671 1.429 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.429 -4.753 0.819 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.708 -3.460 -1.248 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.729 -4.057 0.429 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.408 -3.000 -0.124 1.00 0.00 H new ATOM 464 N ILE A 33 3.080 -9.427 2.356 1.00 0.00 N ATOM 465 CA ILE A 33 3.870 -10.648 2.243 1.00 0.00 C ATOM 466 C ILE A 33 2.986 -11.846 1.898 1.00 0.00 C ATOM 467 O ILE A 33 1.964 -12.077 2.543 1.00 0.00 O ATOM 468 CB ILE A 33 4.641 -10.930 3.554 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.722 -11.996 3.333 1.00 0.00 C ATOM 470 CG2 ILE A 33 3.688 -11.348 4.666 1.00 0.00 C ATOM 471 CD1 ILE A 33 5.177 -13.382 3.060 1.00 0.00 C ATOM 0 H ILE A 33 2.384 -9.442 3.101 1.00 0.00 H new ATOM 0 HA ILE A 33 4.587 -10.499 1.436 1.00 0.00 H new ATOM 0 HB ILE A 33 5.133 -10.007 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.350 -11.693 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.363 -12.036 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.254 -11.541 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.969 -10.550 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.158 -12.253 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.005 -14.076 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.573 -13.709 3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.560 -13.360 2.161 1.00 0.00 H new ATOM 483 N CYS A 34 3.383 -12.610 0.882 1.00 0.00 N ATOM 484 CA CYS A 34 2.618 -13.779 0.467 1.00 0.00 C ATOM 485 C CYS A 34 3.093 -15.025 1.215 1.00 0.00 C ATOM 486 O CYS A 34 4.260 -15.403 1.119 1.00 0.00 O ATOM 487 CB CYS A 34 2.755 -13.978 -1.041 1.00 0.00 C ATOM 488 SG CYS A 34 1.693 -15.264 -1.740 1.00 0.00 S ATOM 0 H CYS A 34 4.227 -12.440 0.334 1.00 0.00 H new ATOM 0 HA CYS A 34 1.568 -13.617 0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.533 -13.034 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.793 -14.222 -1.268 1.00 0.00 H new ATOM 493 N PRO A 35 2.200 -15.677 1.982 1.00 0.00 N ATOM 494 CA PRO A 35 2.548 -16.875 2.755 1.00 0.00 C ATOM 495 C PRO A 35 3.012 -18.039 1.882 1.00 0.00 C ATOM 496 O PRO A 35 3.570 -19.014 2.384 1.00 0.00 O ATOM 497 CB PRO A 35 1.245 -17.238 3.476 1.00 0.00 C ATOM 498 CG PRO A 35 0.170 -16.554 2.704 1.00 0.00 C ATOM 499 CD PRO A 35 0.789 -15.298 2.167 1.00 0.00 C ATOM 0 HA PRO A 35 3.385 -16.680 3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.092 -18.317 3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.261 -16.901 4.513 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.194 -17.187 1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.685 -16.327 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.328 -14.990 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.682 -14.466 2.863 1.00 0.00 H new ATOM 507 N GLU A 36 2.779 -17.940 0.576 1.00 0.00 N ATOM 508 CA GLU A 36 3.177 -18.997 -0.346 1.00 0.00 C ATOM 509 C GLU A 36 4.574 -18.743 -0.913 1.00 0.00 C ATOM 510 O GLU A 36 5.554 -19.310 -0.433 1.00 0.00 O ATOM 511 CB GLU A 36 2.158 -19.127 -1.476 1.00 0.00 C ATOM 512 CG GLU A 36 0.796 -19.617 -1.013 1.00 0.00 C ATOM 513 CD GLU A 36 0.802 -21.087 -0.642 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.248 -21.908 -1.472 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.360 -21.419 0.478 1.00 0.00 O ATOM 0 H GLU A 36 2.319 -17.143 0.135 1.00 0.00 H new ATOM 0 HA GLU A 36 3.208 -19.934 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.041 -18.158 -1.961 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.546 -19.815 -2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.476 -19.030 -0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.065 -19.448 -1.804 1.00 0.00 H new ATOM 522 N CYS A 37 4.666 -17.893 -1.937 1.00 0.00 N ATOM 523 CA CYS A 37 5.957 -17.588 -2.547 1.00 0.00 C ATOM 524 C CYS A 37 6.860 -16.845 -1.571 1.00 0.00 C ATOM 525 O CYS A 37 8.085 -16.929 -1.659 1.00 0.00 O ATOM 526 CB CYS A 37 5.792 -16.754 -3.824 1.00 0.00 C ATOM 527 SG CYS A 37 4.814 -15.254 -3.625 1.00 0.00 S ATOM 0 H CYS A 37 3.871 -17.410 -2.356 1.00 0.00 H new ATOM 0 HA CYS A 37 6.419 -18.540 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.781 -16.480 -4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.327 -17.375 -4.589 1.00 0.00 H new ATOM 532 N GLY A 38 6.251 -16.111 -0.647 1.00 0.00 N ATOM 533 CA GLY A 38 7.024 -15.359 0.322 1.00 0.00 C ATOM 534 C GLY A 38 7.588 -14.086 -0.270 1.00 0.00 C ATOM 535 O GLY A 38 8.772 -13.790 -0.107 1.00 0.00 O ATOM 0 H GLY A 38 5.239 -16.024 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.394 -15.113 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.840 -15.978 0.695 1.00 0.00 H new ATOM 539 N LEU A 39 6.740 -13.328 -0.958 1.00 0.00 N ATOM 540 CA LEU A 39 7.168 -12.079 -1.574 1.00 0.00 C ATOM 541 C LEU A 39 6.894 -10.905 -0.642 1.00 0.00 C ATOM 542 O LEU A 39 6.256 -11.069 0.396 1.00 0.00 O ATOM 543 CB LEU A 39 6.464 -11.875 -2.922 1.00 0.00 C ATOM 544 CG LEU A 39 5.070 -11.240 -2.850 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.113 -9.798 -3.329 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.072 -12.045 -3.670 1.00 0.00 C ATOM 0 H LEU A 39 5.756 -13.556 -1.102 1.00 0.00 H new ATOM 0 HA LEU A 39 8.242 -12.132 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.097 -11.249 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.378 -12.842 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 39 4.745 -11.247 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.114 -9.365 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.794 -9.226 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.461 -9.768 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.089 -11.579 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.394 -12.072 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.017 -13.062 -3.281 1.00 0.00 H new ATOM 558 N VAL A 40 7.378 -9.728 -1.017 1.00 0.00 N ATOM 559 CA VAL A 40 7.182 -8.532 -0.207 1.00 0.00 C ATOM 560 C VAL A 40 6.979 -7.301 -1.082 1.00 0.00 C ATOM 561 O VAL A 40 7.909 -6.838 -1.743 1.00 0.00 O ATOM 562 CB VAL A 40 8.380 -8.290 0.729 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.088 -7.144 1.687 1.00 0.00 C ATOM 564 CG2 VAL A 40 8.725 -9.558 1.494 1.00 0.00 C ATOM 0 H VAL A 40 7.908 -9.576 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 40 6.287 -8.698 0.392 1.00 0.00 H new ATOM 0 HB VAL A 40 9.241 -8.014 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.946 -6.988 2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.895 -6.234 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.213 -7.387 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.574 -9.367 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.867 -9.867 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.981 -10.349 0.790 1.00 0.00 H new ATOM 574 N VAL A 41 5.760 -6.774 -1.082 1.00 0.00 N ATOM 575 CA VAL A 41 5.438 -5.594 -1.876 1.00 0.00 C ATOM 576 C VAL A 41 5.473 -4.332 -1.022 1.00 0.00 C ATOM 577 O VAL A 41 4.828 -4.259 0.023 1.00 0.00 O ATOM 578 CB VAL A 41 4.051 -5.719 -2.534 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.810 -4.567 -3.498 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.919 -7.056 -3.247 1.00 0.00 C ATOM 0 H VAL A 41 4.979 -7.145 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 41 6.195 -5.522 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 41 3.293 -5.672 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.825 -4.673 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.860 -3.623 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.572 -4.579 -4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.933 -7.128 -3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.685 -7.134 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.044 -7.866 -2.528 1.00 0.00 H new ATOM 590 N GLY A 42 6.232 -3.339 -1.475 1.00 0.00 N ATOM 591 CA GLY A 42 6.339 -2.092 -0.741 1.00 0.00 C ATOM 592 C GLY A 42 7.085 -2.250 0.569 1.00 0.00 C ATOM 593 O GLY A 42 6.522 -2.030 1.642 1.00 0.00 O ATOM 0 H GLY A 42 6.775 -3.376 -2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.850 -1.353 -1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.340 -1.705 -0.542 1.00 0.00 H new ATOM 597 N ASP A 43 8.355 -2.633 0.484 1.00 0.00 N ATOM 598 CA ASP A 43 9.178 -2.820 1.672 1.00 0.00 C ATOM 599 C ASP A 43 9.532 -1.477 2.305 1.00 0.00 C ATOM 600 O ASP A 43 10.297 -0.696 1.742 1.00 0.00 O ATOM 601 CB ASP A 43 10.456 -3.586 1.318 1.00 0.00 C ATOM 602 CG ASP A 43 10.689 -4.773 2.231 1.00 0.00 C ATOM 603 OD1 ASP A 43 10.326 -4.688 3.422 1.00 0.00 O ATOM 604 OD2 ASP A 43 11.237 -5.790 1.754 1.00 0.00 O ATOM 0 H ASP A 43 8.836 -2.820 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 43 8.604 -3.401 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.395 -3.931 0.286 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.310 -2.911 1.379 1.00 0.00 H new ATOM 609 N ARG A 44 8.966 -1.217 3.479 1.00 0.00 N ATOM 610 CA ARG A 44 9.220 0.032 4.189 1.00 0.00 C ATOM 611 C ARG A 44 8.799 1.232 3.346 1.00 0.00 C ATOM 612 O ARG A 44 9.637 2.014 2.894 1.00 0.00 O ATOM 613 CB ARG A 44 10.702 0.143 4.556 1.00 0.00 C ATOM 614 CG ARG A 44 11.267 -1.117 5.191 1.00 0.00 C ATOM 615 CD ARG A 44 12.768 -1.227 4.971 1.00 0.00 C ATOM 616 NE ARG A 44 13.089 -1.996 3.771 1.00 0.00 N ATOM 617 CZ ARG A 44 14.311 -2.438 3.479 1.00 0.00 C ATOM 618 NH1 ARG A 44 15.327 -2.190 4.296 1.00 0.00 N ATOM 619 NH2 ARG A 44 14.515 -3.130 2.366 1.00 0.00 N ATOM 0 H ARG A 44 8.329 -1.853 3.959 1.00 0.00 H new ATOM 0 HA ARG A 44 8.627 0.029 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.274 0.375 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.836 0.978 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 44 11.054 -1.114 6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.771 -1.992 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.197 -0.228 4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.228 -1.700 5.839 1.00 0.00 H new ATOM 0 HE ARG A 44 12.333 -2.207 3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.174 -1.658 5.153 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.261 -2.531 4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 44 13.737 -3.323 1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.450 -3.469 2.141 1.00 0.00 H new ATOM 633 N VAL A 45 7.494 1.371 3.136 1.00 0.00 N ATOM 634 CA VAL A 45 6.959 2.474 2.347 1.00 0.00 C ATOM 635 C VAL A 45 5.577 2.883 2.844 1.00 0.00 C ATOM 636 O VAL A 45 4.560 2.394 2.353 1.00 0.00 O ATOM 637 CB VAL A 45 6.865 2.106 0.856 1.00 0.00 C ATOM 638 CG1 VAL A 45 6.494 3.323 0.024 1.00 0.00 C ATOM 639 CG2 VAL A 45 8.174 1.500 0.373 1.00 0.00 C ATOM 0 H VAL A 45 6.787 0.733 3.502 1.00 0.00 H new ATOM 0 HA VAL A 45 7.649 3.310 2.464 1.00 0.00 H new ATOM 0 HB VAL A 45 6.078 1.361 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.433 3.040 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.529 3.708 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.254 4.094 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.089 1.246 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.981 2.220 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.391 0.599 0.947 1.00 0.00 H new ATOM 649 N ILE A 46 5.548 3.782 3.823 1.00 0.00 N ATOM 650 CA ILE A 46 4.290 4.256 4.386 1.00 0.00 C ATOM 651 C ILE A 46 3.655 5.319 3.494 1.00 0.00 C ATOM 652 O ILE A 46 4.128 6.453 3.428 1.00 0.00 O ATOM 653 CB ILE A 46 4.493 4.832 5.803 1.00 0.00 C ATOM 654 CG1 ILE A 46 3.150 5.240 6.413 1.00 0.00 C ATOM 655 CG2 ILE A 46 5.449 6.015 5.768 1.00 0.00 C ATOM 656 CD1 ILE A 46 3.254 5.697 7.852 1.00 0.00 C ATOM 0 H ILE A 46 6.381 4.196 4.242 1.00 0.00 H new ATOM 0 HA ILE A 46 3.622 3.397 4.447 1.00 0.00 H new ATOM 0 HB ILE A 46 4.933 4.057 6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.718 6.043 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.463 4.396 6.357 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.579 6.407 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.414 5.692 5.377 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.040 6.795 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.265 5.971 8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.657 4.889 8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.915 6.561 7.912 1.00 0.00 H new ATOM 668 N ASP A 47 2.580 4.943 2.809 1.00 0.00 N ATOM 669 CA ASP A 47 1.880 5.864 1.921 1.00 0.00 C ATOM 670 C ASP A 47 0.711 6.528 2.640 1.00 0.00 C ATOM 671 O ASP A 47 -0.288 5.880 2.952 1.00 0.00 O ATOM 672 CB ASP A 47 1.381 5.125 0.677 1.00 0.00 C ATOM 673 CG ASP A 47 2.244 5.396 -0.541 1.00 0.00 C ATOM 674 OD1 ASP A 47 3.464 5.140 -0.473 1.00 0.00 O ATOM 675 OD2 ASP A 47 1.699 5.866 -1.561 1.00 0.00 O ATOM 0 H ASP A 47 2.175 4.008 2.852 1.00 0.00 H new ATOM 0 HA ASP A 47 2.581 6.641 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.365 4.053 0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.355 5.426 0.466 1.00 0.00 H new ATOM 680 N VAL A 48 0.842 7.824 2.900 1.00 0.00 N ATOM 681 CA VAL A 48 -0.203 8.577 3.582 1.00 0.00 C ATOM 682 C VAL A 48 -0.270 10.013 3.065 1.00 0.00 C ATOM 683 O VAL A 48 -0.040 10.966 3.811 1.00 0.00 O ATOM 684 CB VAL A 48 0.025 8.595 5.108 1.00 0.00 C ATOM 685 CG1 VAL A 48 1.356 9.253 5.443 1.00 0.00 C ATOM 686 CG2 VAL A 48 -1.124 9.302 5.815 1.00 0.00 C ATOM 0 H VAL A 48 1.663 8.375 2.648 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.148 8.076 3.372 1.00 0.00 H new ATOM 0 HB VAL A 48 0.057 7.565 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.499 9.256 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.166 8.696 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.358 10.279 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.944 9.304 6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.194 10.329 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.057 8.780 5.604 1.00 0.00 H new ATOM 696 N GLY A 49 -0.589 10.159 1.784 1.00 0.00 N ATOM 697 CA GLY A 49 -0.682 11.480 1.190 1.00 0.00 C ATOM 698 C GLY A 49 -0.778 11.431 -0.322 1.00 0.00 C ATOM 699 O GLY A 49 -0.066 10.664 -0.971 1.00 0.00 O ATOM 0 H GLY A 49 -0.785 9.387 1.147 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.556 11.994 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.191 12.066 1.477 1.00 0.00 H new ATOM 703 N SER A 50 -1.658 12.251 -0.884 1.00 0.00 N ATOM 704 CA SER A 50 -1.844 12.299 -2.330 1.00 0.00 C ATOM 705 C SER A 50 -2.333 13.674 -2.771 1.00 0.00 C ATOM 706 O SER A 50 -2.693 14.511 -1.942 1.00 0.00 O ATOM 707 CB SER A 50 -2.837 11.224 -2.772 1.00 0.00 C ATOM 708 OG SER A 50 -2.455 10.656 -4.013 1.00 0.00 O ATOM 0 H SER A 50 -2.254 12.892 -0.361 1.00 0.00 H new ATOM 0 HA SER A 50 -0.880 12.109 -2.802 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.894 10.443 -2.013 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.833 11.658 -2.858 1.00 0.00 H new ATOM 0 HG SER A 50 -3.105 9.970 -4.273 1.00 0.00 H new ATOM 714 N GLU A 51 -2.343 13.902 -4.079 1.00 0.00 N ATOM 715 CA GLU A 51 -2.788 15.176 -4.630 1.00 0.00 C ATOM 716 C GLU A 51 -3.216 15.020 -6.086 1.00 0.00 C ATOM 717 O GLU A 51 -2.381 15.004 -6.990 1.00 0.00 O ATOM 718 CB GLU A 51 -1.673 16.218 -4.524 1.00 0.00 C ATOM 719 CG GLU A 51 -0.311 15.697 -4.954 1.00 0.00 C ATOM 720 CD GLU A 51 0.724 16.798 -5.069 1.00 0.00 C ATOM 721 OE1 GLU A 51 0.345 17.936 -5.419 1.00 0.00 O ATOM 722 OE2 GLU A 51 1.916 16.523 -4.811 1.00 0.00 O ATOM 0 H GLU A 51 -2.048 13.221 -4.778 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.648 15.513 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.933 17.080 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.610 16.568 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.033 14.954 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.406 15.191 -5.915 1.00 0.00 H new ATOM 729 N TRP A 52 -4.522 14.906 -6.305 1.00 0.00 N ATOM 730 CA TRP A 52 -5.061 14.751 -7.651 1.00 0.00 C ATOM 731 C TRP A 52 -5.387 16.108 -8.264 1.00 0.00 C ATOM 732 O TRP A 52 -5.993 16.963 -7.618 1.00 0.00 O ATOM 733 CB TRP A 52 -6.314 13.874 -7.624 1.00 0.00 C ATOM 734 CG TRP A 52 -6.895 13.622 -8.982 1.00 0.00 C ATOM 735 CD1 TRP A 52 -8.155 13.932 -9.404 1.00 0.00 C ATOM 736 CD2 TRP A 52 -6.236 13.008 -10.096 1.00 0.00 C ATOM 737 NE1 TRP A 52 -8.322 13.546 -10.713 1.00 0.00 N ATOM 738 CE2 TRP A 52 -7.158 12.978 -11.160 1.00 0.00 C ATOM 739 CE3 TRP A 52 -4.957 12.480 -10.298 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -6.841 12.440 -12.405 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -4.644 11.948 -11.535 1.00 0.00 C ATOM 742 CH2 TRP A 52 -5.582 11.932 -12.573 1.00 0.00 C ATOM 0 H TRP A 52 -5.227 14.918 -5.568 1.00 0.00 H new ATOM 0 HA TRP A 52 -4.303 14.267 -8.267 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.070 12.919 -7.159 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.068 14.350 -6.997 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -8.910 14.411 -8.798 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -9.174 13.663 -11.262 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.227 12.488 -9.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.563 12.424 -13.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.659 11.538 -11.703 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -5.306 11.509 -13.528 1.00 0.00 H new ATOM 753 N ARG A 53 -4.982 16.300 -9.515 1.00 0.00 N ATOM 754 CA ARG A 53 -5.231 17.553 -10.216 1.00 0.00 C ATOM 755 C ARG A 53 -6.650 17.591 -10.775 1.00 0.00 C ATOM 756 O ARG A 53 -7.347 16.577 -10.793 1.00 0.00 O ATOM 757 CB ARG A 53 -4.219 17.737 -11.349 1.00 0.00 C ATOM 758 CG ARG A 53 -2.773 17.602 -10.899 1.00 0.00 C ATOM 759 CD ARG A 53 -1.856 18.534 -11.676 1.00 0.00 C ATOM 760 NE ARG A 53 -0.991 19.313 -10.793 1.00 0.00 N ATOM 761 CZ ARG A 53 0.125 19.919 -11.194 1.00 0.00 C ATOM 762 NH1 ARG A 53 0.513 19.841 -12.460 1.00 0.00 N ATOM 763 NH2 ARG A 53 0.854 20.607 -10.325 1.00 0.00 N ATOM 0 H ARG A 53 -4.479 15.603 -10.064 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.119 18.369 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.419 17.001 -12.127 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.362 18.721 -11.797 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.700 17.823 -9.834 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.444 16.572 -11.033 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.242 17.950 -12.362 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.457 19.210 -12.284 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.257 19.398 -9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.044 19.315 -13.133 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.369 20.307 -12.761 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.560 20.672 -9.351 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.709 21.071 -10.631 1.00 0.00 H new ATOM 777 N THR A 54 -7.070 18.768 -11.228 1.00 0.00 N ATOM 778 CA THR A 54 -8.406 18.936 -11.787 1.00 0.00 C ATOM 779 C THR A 54 -8.461 18.435 -13.225 1.00 0.00 C ATOM 780 O THR A 54 -7.429 18.261 -13.873 1.00 0.00 O ATOM 781 CB THR A 54 -8.823 20.406 -11.731 1.00 0.00 C ATOM 782 OG1 THR A 54 -8.584 20.947 -10.444 1.00 0.00 O ATOM 783 CG2 THR A 54 -10.285 20.626 -12.057 1.00 0.00 C ATOM 0 H THR A 54 -6.506 19.618 -11.219 1.00 0.00 H new ATOM 0 HA THR A 54 -9.100 18.345 -11.189 1.00 0.00 H new ATOM 0 HB THR A 54 -8.219 20.906 -12.488 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.856 21.888 -10.429 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.515 21.690 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.492 20.264 -13.064 1.00 0.00 H new ATOM 0 HG23 THR A 54 -10.903 20.082 -11.342 1.00 0.00 H new ATOM 791 N PHE A 55 -9.672 18.205 -13.720 1.00 0.00 N ATOM 792 CA PHE A 55 -9.861 17.725 -15.084 1.00 0.00 C ATOM 793 C PHE A 55 -9.972 18.891 -16.059 1.00 0.00 C ATOM 794 O PHE A 55 -9.350 18.888 -17.121 1.00 0.00 O ATOM 795 CB PHE A 55 -11.112 16.846 -15.168 1.00 0.00 C ATOM 796 CG PHE A 55 -10.808 15.378 -15.260 1.00 0.00 C ATOM 797 CD1 PHE A 55 -10.561 14.634 -14.117 1.00 0.00 C ATOM 798 CD2 PHE A 55 -10.769 14.742 -16.491 1.00 0.00 C ATOM 799 CE1 PHE A 55 -10.281 13.284 -14.199 1.00 0.00 C ATOM 800 CE2 PHE A 55 -10.489 13.391 -16.579 1.00 0.00 C ATOM 801 CZ PHE A 55 -10.245 12.662 -15.432 1.00 0.00 C ATOM 0 H PHE A 55 -10.537 18.343 -13.198 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.991 17.129 -15.360 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -11.732 17.026 -14.290 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.697 17.143 -16.038 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -10.588 15.116 -13.151 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.959 15.308 -17.391 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.091 12.716 -13.301 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -10.461 12.906 -17.544 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.026 11.607 -15.499 1.00 0.00 H new ATOM 811 N SER A 56 -10.770 19.889 -15.691 1.00 0.00 N ATOM 812 CA SER A 56 -10.962 21.063 -16.533 1.00 0.00 C ATOM 813 C SER A 56 -11.578 20.676 -17.875 1.00 0.00 C ATOM 814 O SER A 56 -11.526 19.515 -18.280 1.00 0.00 O ATOM 815 CB SER A 56 -9.628 21.782 -16.756 1.00 0.00 C ATOM 816 OG SER A 56 -9.727 23.156 -16.424 1.00 0.00 O ATOM 0 H SER A 56 -11.293 19.907 -14.816 1.00 0.00 H new ATOM 0 HA SER A 56 -11.648 21.738 -16.021 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.853 21.313 -16.150 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.325 21.677 -17.798 1.00 0.00 H new ATOM 0 HG SER A 56 -8.862 23.592 -16.573 1.00 0.00 H new ATOM 822 N ASN A 57 -12.161 21.654 -18.558 1.00 0.00 N ATOM 823 CA ASN A 57 -12.786 21.415 -19.853 1.00 0.00 C ATOM 824 C ASN A 57 -11.850 21.814 -20.991 1.00 0.00 C ATOM 825 O ASN A 57 -12.297 22.225 -22.061 1.00 0.00 O ATOM 826 CB ASN A 57 -14.101 22.193 -19.956 1.00 0.00 C ATOM 827 CG ASN A 57 -15.312 21.280 -19.958 1.00 0.00 C ATOM 828 OD1 ASN A 57 -16.016 21.164 -20.961 1.00 0.00 O ATOM 829 ND2 ASN A 57 -15.563 20.627 -18.828 1.00 0.00 N ATOM 0 H ASN A 57 -12.214 22.620 -18.236 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.995 20.349 -19.939 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.175 22.889 -19.120 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.097 22.789 -20.868 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -16.366 20.000 -18.769 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.953 20.753 -18.020 1.00 0.00 H new ATOM 836 N ASP A 58 -10.549 21.688 -20.751 1.00 0.00 N ATOM 837 CA ASP A 58 -9.549 22.034 -21.756 1.00 0.00 C ATOM 838 C ASP A 58 -8.159 21.581 -21.319 1.00 0.00 C ATOM 839 O ASP A 58 -7.578 22.138 -20.387 1.00 0.00 O ATOM 840 CB ASP A 58 -9.553 23.544 -22.009 1.00 0.00 C ATOM 841 CG ASP A 58 -10.306 23.916 -23.271 1.00 0.00 C ATOM 842 OD1 ASP A 58 -9.715 23.814 -24.366 1.00 0.00 O ATOM 843 OD2 ASP A 58 -11.488 24.308 -23.165 1.00 0.00 O ATOM 0 H ASP A 58 -10.162 21.349 -19.870 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.804 21.517 -22.681 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.005 24.051 -21.157 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.525 23.900 -22.084 1.00 0.00 H new ATOM 848 N LYS A 59 -7.632 20.568 -21.999 1.00 0.00 N ATOM 849 CA LYS A 59 -6.310 20.041 -21.682 1.00 0.00 C ATOM 850 C LYS A 59 -5.219 20.877 -22.342 1.00 0.00 C ATOM 851 O LYS A 59 -5.318 22.102 -22.411 1.00 0.00 O ATOM 852 CB LYS A 59 -6.197 18.584 -22.137 1.00 0.00 C ATOM 853 CG LYS A 59 -5.164 17.783 -21.361 1.00 0.00 C ATOM 854 CD LYS A 59 -5.698 17.352 -20.004 1.00 0.00 C ATOM 855 CE LYS A 59 -6.075 15.879 -19.996 1.00 0.00 C ATOM 856 NZ LYS A 59 -7.376 15.634 -20.680 1.00 0.00 N ATOM 857 OXT LYS A 59 -4.066 20.230 -22.886 1.00 0.00 O ATOM 0 H LYS A 59 -8.100 20.096 -22.773 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.176 20.089 -20.601 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.170 18.103 -22.034 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.941 18.562 -23.196 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.877 16.903 -21.937 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.264 18.383 -21.225 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.945 17.540 -19.239 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.570 17.953 -19.747 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.292 15.301 -20.488 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.134 15.525 -18.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.597 14.618 -20.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.128 16.165 -20.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.313 15.948 -21.669 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.580 -15.780 -3.792 1.00 0.00 ZN