USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 LEU N :NH3+ -117:sc= 0.0697 (180deg=-0.0738) USER MOD Single : A 5 THR OG1 : rot -68:sc= -0.362 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -1.01 K(o=0.19,f=-6.4!) USER MOD Single : A 14 TYR OH : rot -128:sc= 0.142 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0161) USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= 1.08 (180deg=0.853) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -71:sc= -0.197 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= 0.279 (180deg=-0.894) USER MOD Single : A 37 THR OG1 : rot -120:sc= 0 USER MOD Single : A 42 THR OG1 : rot 54:sc= 0.0774 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.117 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 48 THR OG1 : rot 7:sc= 0.917 USER MOD Single : A 50 GLN : amide:sc= -2.75! K(o=-2.7!,f=-0.93) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= -3.16! (180deg=-3.33!) USER MOD Single : A 55 HIS : no HD1:sc= 0.171 K(o=0.17,f=-1.2) USER MOD Single : A 58 SER OG : rot -99:sc= -1.1 USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= -0.009 (180deg=-0.0881) USER MOD Single : A 67 GLN : amide:sc= -9.84! C(o=-9.8!,f=-14!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -145:sc= -1.29 (180deg=-3.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -18.070 2.036 -3.005 1.00 0.00 N ATOM 2 CA LEU A 1 -16.724 2.446 -2.545 1.00 0.00 C ATOM 3 C LEU A 1 -16.199 3.607 -3.378 1.00 0.00 C ATOM 4 O LEU A 1 -16.681 3.857 -4.482 1.00 0.00 O ATOM 5 CB LEU A 1 -15.744 1.273 -2.629 1.00 0.00 C ATOM 6 CG LEU A 1 -16.003 0.136 -1.654 1.00 0.00 C ATOM 7 CD1 LEU A 1 -15.106 -1.053 -1.961 1.00 0.00 C ATOM 8 CD2 LEU A 1 -15.808 0.594 -0.216 1.00 0.00 C ATOM 0 H1 LEU A 1 -18.759 2.189 -2.241 1.00 0.00 H new ATOM 0 H2 LEU A 1 -18.341 2.602 -3.834 1.00 0.00 H new ATOM 0 H3 LEU A 1 -18.057 1.029 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 1 -16.810 2.765 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -15.769 0.873 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -14.736 1.651 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 1 -17.041 -0.176 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -15.309 -1.855 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -15.304 -1.406 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -14.062 -0.752 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -16.000 -0.239 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -14.784 0.943 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -16.500 1.407 0.004 1.00 0.00 H new ATOM 22 N PRO A 2 -15.210 4.339 -2.849 1.00 0.00 N ATOM 23 CA PRO A 2 -14.562 5.452 -3.556 1.00 0.00 C ATOM 24 C PRO A 2 -13.911 5.034 -4.873 1.00 0.00 C ATOM 25 O PRO A 2 -13.752 3.841 -5.151 1.00 0.00 O ATOM 26 CB PRO A 2 -13.494 5.923 -2.566 1.00 0.00 C ATOM 27 CG PRO A 2 -14.011 5.493 -1.239 1.00 0.00 C ATOM 28 CD PRO A 2 -14.664 4.168 -1.493 1.00 0.00 C ATOM 0 HA PRO A 2 -15.285 6.218 -3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.525 5.472 -2.781 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.359 7.004 -2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.205 5.404 -0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -14.723 6.215 -0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.949 3.347 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -15.446 3.954 -0.764 1.00 0.00 H new ATOM 36 N ARG A 3 -13.520 6.033 -5.653 1.00 0.00 N ATOM 37 CA ARG A 3 -13.028 5.856 -7.019 1.00 0.00 C ATOM 38 C ARG A 3 -12.012 4.720 -7.155 1.00 0.00 C ATOM 39 O ARG A 3 -12.153 3.862 -8.026 1.00 0.00 O ATOM 40 CB ARG A 3 -12.406 7.171 -7.498 1.00 0.00 C ATOM 41 CG ARG A 3 -11.824 7.117 -8.899 1.00 0.00 C ATOM 42 CD ARG A 3 -11.207 8.451 -9.275 1.00 0.00 C ATOM 43 NE ARG A 3 -10.571 8.424 -10.590 1.00 0.00 N ATOM 44 CZ ARG A 3 -9.526 9.181 -10.921 1.00 0.00 C ATOM 45 NH1 ARG A 3 -9.005 10.027 -10.036 1.00 0.00 N ATOM 46 NH2 ARG A 3 -9.003 9.097 -12.137 1.00 0.00 N ATOM 0 H ARG A 3 -13.535 7.007 -5.352 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.882 5.580 -7.638 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.166 7.952 -7.463 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.619 7.461 -6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.069 6.333 -8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.606 6.858 -9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.979 9.220 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.468 8.730 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.948 7.790 -11.294 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.406 10.097 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.205 10.605 -10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.401 8.452 -12.820 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.203 9.677 -12.389 1.00 0.00 H new ATOM 60 N ASP A 4 -11.001 4.705 -6.296 1.00 0.00 N ATOM 61 CA ASP A 4 -9.892 3.758 -6.450 1.00 0.00 C ATOM 62 C ASP A 4 -9.904 2.663 -5.395 1.00 0.00 C ATOM 63 O ASP A 4 -8.996 1.832 -5.351 1.00 0.00 O ATOM 64 CB ASP A 4 -8.546 4.479 -6.384 1.00 0.00 C ATOM 65 CG ASP A 4 -8.326 5.432 -7.540 1.00 0.00 C ATOM 66 OD1 ASP A 4 -8.039 4.962 -8.661 1.00 0.00 O ATOM 67 OD2 ASP A 4 -8.427 6.658 -7.331 1.00 0.00 O ATOM 0 H ASP A 4 -10.921 5.328 -5.492 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.027 3.296 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.483 5.033 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.745 3.740 -6.372 1.00 0.00 H new ATOM 72 N THR A 5 -10.917 2.644 -4.550 1.00 0.00 N ATOM 73 CA THR A 5 -10.945 1.698 -3.445 1.00 0.00 C ATOM 74 C THR A 5 -11.208 0.272 -3.925 1.00 0.00 C ATOM 75 O THR A 5 -10.549 -0.665 -3.478 1.00 0.00 O ATOM 76 CB THR A 5 -11.986 2.103 -2.393 1.00 0.00 C ATOM 77 OG1 THR A 5 -11.648 3.394 -1.875 1.00 0.00 O ATOM 78 CG2 THR A 5 -12.038 1.093 -1.257 1.00 0.00 C ATOM 0 H THR A 5 -11.725 3.265 -4.604 1.00 0.00 H new ATOM 0 HA THR A 5 -9.958 1.721 -2.984 1.00 0.00 H new ATOM 0 HB THR A 5 -12.968 2.132 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.824 3.330 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.784 1.405 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.306 0.113 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.061 1.035 -0.776 1.00 0.00 H new ATOM 86 N SER A 6 -12.141 0.113 -4.857 1.00 0.00 N ATOM 87 CA SER A 6 -12.481 -1.210 -5.365 1.00 0.00 C ATOM 88 C SER A 6 -11.304 -1.801 -6.136 1.00 0.00 C ATOM 89 O SER A 6 -11.154 -3.019 -6.230 1.00 0.00 O ATOM 90 CB SER A 6 -13.728 -1.136 -6.243 1.00 0.00 C ATOM 91 OG SER A 6 -14.172 -2.426 -6.629 1.00 0.00 O ATOM 0 H SER A 6 -12.672 0.878 -5.273 1.00 0.00 H new ATOM 0 HA SER A 6 -12.697 -1.866 -4.522 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.524 -0.623 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.513 -0.543 -7.132 1.00 0.00 H new ATOM 0 HG SER A 6 -14.972 -2.343 -7.189 1.00 0.00 H new ATOM 97 N ARG A 7 -10.470 -0.928 -6.684 1.00 0.00 N ATOM 98 CA ARG A 7 -9.231 -1.343 -7.322 1.00 0.00 C ATOM 99 C ARG A 7 -8.210 -1.730 -6.266 1.00 0.00 C ATOM 100 O ARG A 7 -7.630 -2.816 -6.304 1.00 0.00 O ATOM 101 CB ARG A 7 -8.676 -0.206 -8.192 1.00 0.00 C ATOM 102 CG ARG A 7 -7.278 -0.473 -8.741 1.00 0.00 C ATOM 103 CD ARG A 7 -6.235 0.465 -8.145 1.00 0.00 C ATOM 104 NE ARG A 7 -6.412 1.856 -8.563 1.00 0.00 N ATOM 105 CZ ARG A 7 -5.399 2.677 -8.859 1.00 0.00 C ATOM 106 NH1 ARG A 7 -4.151 2.219 -8.888 1.00 0.00 N ATOM 107 NH2 ARG A 7 -5.633 3.953 -9.141 1.00 0.00 N ATOM 0 H ARG A 7 -10.632 0.079 -6.699 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.434 -2.206 -7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.357 -0.035 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.655 0.711 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.998 -1.505 -8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.288 -0.360 -9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.283 0.409 -7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.241 0.127 -8.438 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.362 2.220 -8.633 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.963 1.237 -8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.382 2.849 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.588 4.310 -9.132 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.857 4.576 -9.366 1.00 0.00 H new ATOM 121 N CYS A 8 -8.025 -0.836 -5.308 1.00 0.00 N ATOM 122 CA CYS A 8 -6.982 -0.975 -4.311 1.00 0.00 C ATOM 123 C CYS A 8 -7.197 -2.197 -3.433 1.00 0.00 C ATOM 124 O CYS A 8 -6.253 -2.929 -3.157 1.00 0.00 O ATOM 125 CB CYS A 8 -6.936 0.257 -3.424 1.00 0.00 C ATOM 126 SG CYS A 8 -5.271 0.637 -2.795 1.00 0.00 S ATOM 0 H CYS A 8 -8.594 0.004 -5.202 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.041 -1.092 -4.848 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.308 1.114 -3.986 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.610 0.113 -2.580 1.00 0.00 H new ATOM 131 N VAL A 9 -8.446 -2.415 -3.020 1.00 0.00 N ATOM 132 CA VAL A 9 -8.783 -3.458 -2.050 1.00 0.00 C ATOM 133 C VAL A 9 -8.235 -4.827 -2.459 1.00 0.00 C ATOM 134 O VAL A 9 -7.862 -5.638 -1.607 1.00 0.00 O ATOM 135 CB VAL A 9 -10.312 -3.533 -1.829 1.00 0.00 C ATOM 136 CG1 VAL A 9 -11.033 -3.833 -3.131 1.00 0.00 C ATOM 137 CG2 VAL A 9 -10.661 -4.558 -0.758 1.00 0.00 C ATOM 0 H VAL A 9 -9.249 -1.877 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.305 -3.183 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.649 -2.558 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.107 -3.881 -2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.822 -3.045 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.689 -4.789 -3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.742 -4.590 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.305 -5.541 -1.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.186 -4.278 0.182 1.00 0.00 H new ATOM 147 N GLY A 10 -8.159 -5.071 -3.759 1.00 0.00 N ATOM 148 CA GLY A 10 -7.606 -6.317 -4.244 1.00 0.00 C ATOM 149 C GLY A 10 -6.096 -6.265 -4.373 1.00 0.00 C ATOM 150 O GLY A 10 -5.415 -7.276 -4.203 1.00 0.00 O ATOM 0 H GLY A 10 -8.471 -4.428 -4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.883 -7.123 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.043 -6.553 -5.214 1.00 0.00 H new ATOM 154 N TYR A 11 -5.566 -5.080 -4.652 1.00 0.00 N ATOM 155 CA TYR A 11 -4.144 -4.925 -4.901 1.00 0.00 C ATOM 156 C TYR A 11 -3.378 -4.587 -3.628 1.00 0.00 C ATOM 157 O TYR A 11 -2.660 -5.420 -3.083 1.00 0.00 O ATOM 158 CB TYR A 11 -3.906 -3.843 -5.951 1.00 0.00 C ATOM 159 CG TYR A 11 -4.365 -4.238 -7.329 1.00 0.00 C ATOM 160 CD1 TYR A 11 -3.969 -5.443 -7.883 1.00 0.00 C ATOM 161 CD2 TYR A 11 -5.191 -3.410 -8.074 1.00 0.00 C ATOM 162 CE1 TYR A 11 -4.382 -5.815 -9.141 1.00 0.00 C ATOM 163 CE2 TYR A 11 -5.611 -3.774 -9.337 1.00 0.00 C ATOM 164 CZ TYR A 11 -5.205 -4.979 -9.865 1.00 0.00 C ATOM 165 OH TYR A 11 -5.617 -5.351 -11.126 1.00 0.00 O ATOM 0 H TYR A 11 -6.102 -4.214 -4.711 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.772 -5.880 -5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.426 -2.934 -5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.843 -3.606 -5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.326 -6.102 -7.318 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.511 -2.465 -7.659 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.063 -6.758 -9.560 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.253 -3.119 -9.907 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.193 -4.653 -11.501 1.00 0.00 H new ATOM 175 N HIS A 12 -3.572 -3.368 -3.136 1.00 0.00 N ATOM 176 CA HIS A 12 -2.761 -2.851 -2.040 1.00 0.00 C ATOM 177 C HIS A 12 -3.573 -2.819 -0.752 1.00 0.00 C ATOM 178 O HIS A 12 -3.171 -2.195 0.227 1.00 0.00 O ATOM 179 CB HIS A 12 -2.237 -1.437 -2.350 1.00 0.00 C ATOM 180 CG HIS A 12 -2.020 -1.150 -3.806 1.00 0.00 C ATOM 181 ND1 HIS A 12 -2.665 -0.132 -4.465 1.00 0.00 N ATOM 182 CD2 HIS A 12 -1.222 -1.741 -4.726 1.00 0.00 C ATOM 183 CE1 HIS A 12 -2.283 -0.111 -5.726 1.00 0.00 C ATOM 184 NE2 HIS A 12 -1.398 -1.074 -5.915 1.00 0.00 N ATOM 0 H HIS A 12 -4.282 -2.721 -3.478 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.907 -3.518 -1.918 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -2.943 -0.708 -1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.295 -1.290 -1.821 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -0.567 -2.583 -4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.635 0.578 -6.479 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.926 -1.286 -6.794 1.00 0.00 H new ATOM 193 N GLY A 13 -4.714 -3.496 -0.763 1.00 0.00 N ATOM 194 CA GLY A 13 -5.529 -3.601 0.432 1.00 0.00 C ATOM 195 C GLY A 13 -6.690 -2.627 0.446 1.00 0.00 C ATOM 196 O GLY A 13 -6.865 -1.844 -0.482 1.00 0.00 O ATOM 0 H GLY A 13 -5.091 -3.976 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.914 -4.617 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.904 -3.425 1.308 1.00 0.00 H new ATOM 200 N TYR A 14 -7.482 -2.676 1.508 1.00 0.00 N ATOM 201 CA TYR A 14 -8.684 -1.856 1.610 1.00 0.00 C ATOM 202 C TYR A 14 -8.324 -0.437 2.026 1.00 0.00 C ATOM 203 O TYR A 14 -7.161 -0.127 2.232 1.00 0.00 O ATOM 204 CB TYR A 14 -9.672 -2.479 2.600 1.00 0.00 C ATOM 205 CG TYR A 14 -9.061 -2.832 3.935 1.00 0.00 C ATOM 206 CD1 TYR A 14 -8.833 -1.857 4.891 1.00 0.00 C ATOM 207 CD2 TYR A 14 -8.719 -4.143 4.239 1.00 0.00 C ATOM 208 CE1 TYR A 14 -8.281 -2.173 6.115 1.00 0.00 C ATOM 209 CE2 TYR A 14 -8.168 -4.467 5.461 1.00 0.00 C ATOM 210 CZ TYR A 14 -7.951 -3.479 6.395 1.00 0.00 C ATOM 211 OH TYR A 14 -7.405 -3.798 7.615 1.00 0.00 O ATOM 0 H TYR A 14 -7.314 -3.277 2.315 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.162 -1.814 0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.496 -1.784 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -10.096 -3.380 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.092 -0.831 4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.887 -4.920 3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.109 -1.400 6.849 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.908 -5.491 5.684 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.578 -4.307 7.480 1.00 0.00 H new ATOM 221 N CYS A 15 -9.311 0.423 2.166 1.00 0.00 N ATOM 222 CA CYS A 15 -9.031 1.828 2.401 1.00 0.00 C ATOM 223 C CYS A 15 -9.734 2.356 3.648 1.00 0.00 C ATOM 224 O CYS A 15 -10.889 2.778 3.592 1.00 0.00 O ATOM 225 CB CYS A 15 -9.455 2.643 1.188 1.00 0.00 C ATOM 226 SG CYS A 15 -8.812 2.029 -0.402 1.00 0.00 S ATOM 0 H CYS A 15 -10.301 0.181 2.122 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.958 1.927 2.564 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.544 2.661 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.125 3.673 1.325 1.00 0.00 H new ATOM 231 N ILE A 16 -9.028 2.345 4.768 1.00 0.00 N ATOM 232 CA ILE A 16 -9.568 2.870 6.013 1.00 0.00 C ATOM 233 C ILE A 16 -9.179 4.331 6.167 1.00 0.00 C ATOM 234 O ILE A 16 -8.523 4.885 5.293 1.00 0.00 O ATOM 235 CB ILE A 16 -9.102 2.070 7.247 1.00 0.00 C ATOM 236 CG1 ILE A 16 -7.572 2.065 7.353 1.00 0.00 C ATOM 237 CG2 ILE A 16 -9.656 0.657 7.195 1.00 0.00 C ATOM 238 CD1 ILE A 16 -7.040 1.187 8.468 1.00 0.00 C ATOM 0 H ILE A 16 -8.079 1.978 4.841 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.652 2.774 5.960 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.489 2.556 8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.152 1.727 6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.224 3.086 7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.320 0.102 8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.745 0.693 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.301 0.160 6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.951 1.235 8.480 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.430 1.537 9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.356 0.157 8.302 1.00 0.00 H new ATOM 250 N ARG A 17 -9.562 4.948 7.265 1.00 0.00 N ATOM 251 CA ARG A 17 -9.321 6.369 7.449 1.00 0.00 C ATOM 252 C ARG A 17 -7.839 6.676 7.659 1.00 0.00 C ATOM 253 O ARG A 17 -7.295 7.586 7.037 1.00 0.00 O ATOM 254 CB ARG A 17 -10.134 6.897 8.629 1.00 0.00 C ATOM 255 CG ARG A 17 -10.010 8.398 8.823 1.00 0.00 C ATOM 256 CD ARG A 17 -10.812 8.872 10.020 1.00 0.00 C ATOM 257 NE ARG A 17 -12.243 8.616 9.867 1.00 0.00 N ATOM 258 CZ ARG A 17 -13.090 8.511 10.890 1.00 0.00 C ATOM 259 NH1 ARG A 17 -12.639 8.587 12.136 1.00 0.00 N ATOM 260 NH2 ARG A 17 -14.383 8.327 10.668 1.00 0.00 N ATOM 0 H ARG A 17 -10.040 4.493 8.043 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.638 6.872 6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.183 6.643 8.480 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.810 6.392 9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.961 8.663 8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.355 8.912 7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.450 8.372 10.918 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.650 9.940 10.163 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.614 8.512 8.923 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.644 8.726 12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.288 8.507 12.919 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.733 8.265 9.712 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.029 8.247 11.453 1.00 0.00 H new ATOM 274 N SER A 18 -7.172 5.912 8.509 1.00 0.00 N ATOM 275 CA SER A 18 -5.829 6.271 8.922 1.00 0.00 C ATOM 276 C SER A 18 -4.900 5.066 8.900 1.00 0.00 C ATOM 277 O SER A 18 -5.276 3.980 8.468 1.00 0.00 O ATOM 278 CB SER A 18 -5.876 6.898 10.319 1.00 0.00 C ATOM 279 OG SER A 18 -4.630 7.470 10.680 1.00 0.00 O ATOM 0 H SER A 18 -7.534 5.052 8.920 1.00 0.00 H new ATOM 0 HA SER A 18 -5.429 6.998 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.650 7.665 10.348 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.153 6.138 11.050 1.00 0.00 H new ATOM 0 HG SER A 18 -4.697 7.862 11.576 1.00 0.00 H new ATOM 285 N LYS A 19 -3.688 5.280 9.387 1.00 0.00 N ATOM 286 CA LYS A 19 -2.631 4.283 9.351 1.00 0.00 C ATOM 287 C LYS A 19 -2.759 3.323 10.521 1.00 0.00 C ATOM 288 O LYS A 19 -1.817 2.606 10.864 1.00 0.00 O ATOM 289 CB LYS A 19 -1.273 4.978 9.394 1.00 0.00 C ATOM 290 CG LYS A 19 -1.216 6.229 8.538 1.00 0.00 C ATOM 291 CD LYS A 19 -1.468 7.489 9.356 1.00 0.00 C ATOM 292 CE LYS A 19 -1.672 8.710 8.471 1.00 0.00 C ATOM 293 NZ LYS A 19 -0.487 8.997 7.622 1.00 0.00 N ATOM 0 H LYS A 19 -3.408 6.159 9.822 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.719 3.711 8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.039 5.240 10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.504 4.281 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.239 6.297 8.059 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.958 6.158 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.348 7.344 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.625 7.662 10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.543 8.553 7.834 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.887 9.577 9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.647 9.875 7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.353 9.107 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.337 8.210 6.958 1.00 0.00 H new ATOM 307 N VAL A 20 -3.937 3.318 11.120 1.00 0.00 N ATOM 308 CA VAL A 20 -4.250 2.431 12.247 1.00 0.00 C ATOM 309 C VAL A 20 -4.475 0.989 11.765 1.00 0.00 C ATOM 310 O VAL A 20 -5.307 0.253 12.303 1.00 0.00 O ATOM 311 CB VAL A 20 -5.496 2.915 13.024 1.00 0.00 C ATOM 312 CG1 VAL A 20 -5.540 2.298 14.415 1.00 0.00 C ATOM 313 CG2 VAL A 20 -5.526 4.431 13.109 1.00 0.00 C ATOM 0 H VAL A 20 -4.709 3.925 10.845 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.392 2.455 12.919 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.381 2.588 12.478 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.425 2.653 14.943 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.579 1.212 14.330 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.647 2.586 14.969 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.412 4.747 13.660 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.633 4.784 13.624 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.555 4.851 12.104 1.00 0.00 H new ATOM 323 N CYS A 21 -3.751 0.612 10.724 1.00 0.00 N ATOM 324 CA CYS A 21 -3.866 -0.705 10.121 1.00 0.00 C ATOM 325 C CYS A 21 -3.601 -1.813 11.141 1.00 0.00 C ATOM 326 O CYS A 21 -2.650 -1.738 11.926 1.00 0.00 O ATOM 327 CB CYS A 21 -2.870 -0.809 8.971 1.00 0.00 C ATOM 328 SG CYS A 21 -2.974 0.574 7.792 1.00 0.00 S ATOM 0 H CYS A 21 -3.063 1.214 10.271 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.884 -0.833 9.752 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.860 -0.853 9.379 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.040 -1.744 8.437 1.00 0.00 H new ATOM 333 N PRO A 22 -4.461 -2.847 11.151 1.00 0.00 N ATOM 334 CA PRO A 22 -4.277 -4.035 11.991 1.00 0.00 C ATOM 335 C PRO A 22 -3.068 -4.849 11.541 1.00 0.00 C ATOM 336 O PRO A 22 -2.321 -4.427 10.667 1.00 0.00 O ATOM 337 CB PRO A 22 -5.573 -4.827 11.791 1.00 0.00 C ATOM 338 CG PRO A 22 -6.108 -4.366 10.483 1.00 0.00 C ATOM 339 CD PRO A 22 -5.688 -2.930 10.343 1.00 0.00 C ATOM 0 HA PRO A 22 -4.090 -3.783 13.035 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.382 -5.900 11.783 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.281 -4.635 12.597 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.712 -4.969 9.666 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.194 -4.459 10.451 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.501 -2.667 9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.457 -2.250 10.710 1.00 0.00 H new ATOM 347 N LYS A 23 -2.846 -5.994 12.159 1.00 0.00 N ATOM 348 CA LYS A 23 -1.693 -6.816 11.820 1.00 0.00 C ATOM 349 C LYS A 23 -2.127 -8.203 11.348 1.00 0.00 C ATOM 350 O LYS A 23 -3.058 -8.786 11.906 1.00 0.00 O ATOM 351 CB LYS A 23 -0.739 -6.935 13.020 1.00 0.00 C ATOM 352 CG LYS A 23 0.205 -5.746 13.198 1.00 0.00 C ATOM 353 CD LYS A 23 -0.540 -4.446 13.470 1.00 0.00 C ATOM 354 CE LYS A 23 0.402 -3.255 13.503 1.00 0.00 C ATOM 355 NZ LYS A 23 -0.333 -1.962 13.569 1.00 0.00 N ATOM 0 H LYS A 23 -3.442 -6.376 12.893 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.164 -6.327 11.002 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.330 -7.053 13.928 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.144 -7.841 12.907 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.888 -5.949 14.023 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.813 -5.632 12.301 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.295 -4.291 12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.066 -4.520 14.422 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.063 -3.340 14.365 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.033 -3.268 12.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.301 -1.187 13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.149 -1.993 12.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.665 -1.801 14.541 1.00 0.00 H new ATOM 369 N PRO A 24 -1.464 -8.749 10.310 1.00 0.00 N ATOM 370 CA PRO A 24 -0.426 -8.047 9.560 1.00 0.00 C ATOM 371 C PRO A 24 -0.999 -7.177 8.444 1.00 0.00 C ATOM 372 O PRO A 24 -1.414 -7.684 7.404 1.00 0.00 O ATOM 373 CB PRO A 24 0.385 -9.195 8.972 1.00 0.00 C ATOM 374 CG PRO A 24 -0.612 -10.278 8.735 1.00 0.00 C ATOM 375 CD PRO A 24 -1.700 -10.098 9.769 1.00 0.00 C ATOM 0 HA PRO A 24 0.146 -7.360 10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.876 -8.899 8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.167 -9.520 9.658 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.021 -10.214 7.727 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.147 -11.260 8.828 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.691 -10.180 9.323 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.638 -10.857 10.549 1.00 0.00 H new ATOM 383 N PHE A 25 -1.001 -5.876 8.646 1.00 0.00 N ATOM 384 CA PHE A 25 -1.446 -4.940 7.624 1.00 0.00 C ATOM 385 C PHE A 25 -0.569 -3.706 7.674 1.00 0.00 C ATOM 386 O PHE A 25 -0.083 -3.330 8.745 1.00 0.00 O ATOM 387 CB PHE A 25 -2.922 -4.543 7.820 1.00 0.00 C ATOM 388 CG PHE A 25 -3.906 -5.629 7.502 1.00 0.00 C ATOM 389 CD1 PHE A 25 -4.664 -5.565 6.349 1.00 0.00 C ATOM 390 CD2 PHE A 25 -4.070 -6.711 8.351 1.00 0.00 C ATOM 391 CE1 PHE A 25 -5.566 -6.562 6.046 1.00 0.00 C ATOM 392 CE2 PHE A 25 -4.969 -7.709 8.052 1.00 0.00 C ATOM 393 CZ PHE A 25 -5.719 -7.632 6.898 1.00 0.00 C ATOM 0 H PHE A 25 -0.698 -5.436 9.515 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.363 -5.424 6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.067 -4.231 8.854 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.139 -3.679 7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.549 -4.726 5.679 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.486 -6.772 9.257 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.152 -6.504 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.087 -8.550 8.719 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.428 -8.412 6.662 1.00 0.00 H new ATOM 403 N ALA A 26 -0.349 -3.085 6.531 1.00 0.00 N ATOM 404 CA ALA A 26 0.509 -1.912 6.479 1.00 0.00 C ATOM 405 C ALA A 26 -0.178 -0.752 5.784 1.00 0.00 C ATOM 406 O ALA A 26 -0.900 -0.943 4.799 1.00 0.00 O ATOM 407 CB ALA A 26 1.823 -2.233 5.786 1.00 0.00 C ATOM 0 H ALA A 26 -0.746 -3.367 5.635 1.00 0.00 H new ATOM 0 HA ALA A 26 0.718 -1.616 7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.448 -1.340 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.340 -3.021 6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.625 -2.568 4.768 1.00 0.00 H new ATOM 413 N ALA A 27 0.028 0.438 6.336 1.00 0.00 N ATOM 414 CA ALA A 27 -0.416 1.674 5.722 1.00 0.00 C ATOM 415 C ALA A 27 0.291 1.889 4.393 1.00 0.00 C ATOM 416 O ALA A 27 1.438 2.342 4.350 1.00 0.00 O ATOM 417 CB ALA A 27 -0.146 2.836 6.663 1.00 0.00 C ATOM 0 H ALA A 27 0.510 0.568 7.225 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.487 1.613 5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.480 3.764 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.686 2.681 7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.923 2.897 6.868 1.00 0.00 H new ATOM 423 N PHE A 28 -0.394 1.564 3.316 1.00 0.00 N ATOM 424 CA PHE A 28 0.174 1.659 1.993 1.00 0.00 C ATOM 425 C PHE A 28 -0.371 2.887 1.286 1.00 0.00 C ATOM 426 O PHE A 28 -1.361 2.818 0.557 1.00 0.00 O ATOM 427 CB PHE A 28 -0.145 0.387 1.202 1.00 0.00 C ATOM 428 CG PHE A 28 1.059 -0.421 0.852 1.00 0.00 C ATOM 429 CD1 PHE A 28 2.028 0.089 0.006 1.00 0.00 C ATOM 430 CD2 PHE A 28 1.216 -1.694 1.362 1.00 0.00 C ATOM 431 CE1 PHE A 28 3.139 -0.662 -0.322 1.00 0.00 C ATOM 432 CE2 PHE A 28 2.318 -2.451 1.039 1.00 0.00 C ATOM 433 CZ PHE A 28 3.283 -1.935 0.194 1.00 0.00 C ATOM 0 H PHE A 28 -1.357 1.228 3.336 1.00 0.00 H new ATOM 0 HA PHE A 28 1.257 1.758 2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.829 -0.230 1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.666 0.662 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.914 1.083 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.465 -2.101 2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.893 -0.255 -0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.429 -3.446 1.444 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.149 -2.527 -0.062 1.00 0.00 H new ATOM 443 N GLY A 29 0.304 4.006 1.513 1.00 0.00 N ATOM 444 CA GLY A 29 -0.057 5.262 0.889 1.00 0.00 C ATOM 445 C GLY A 29 -1.533 5.573 0.978 1.00 0.00 C ATOM 446 O GLY A 29 -2.172 5.363 2.010 1.00 0.00 O ATOM 0 H GLY A 29 1.112 4.064 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.506 6.068 1.360 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.239 5.237 -0.160 1.00 0.00 H new ATOM 450 N THR A 30 -2.066 6.062 -0.124 1.00 0.00 N ATOM 451 CA THR A 30 -3.471 6.386 -0.235 1.00 0.00 C ATOM 452 C THR A 30 -4.009 5.805 -1.538 1.00 0.00 C ATOM 453 O THR A 30 -3.303 5.782 -2.547 1.00 0.00 O ATOM 454 CB THR A 30 -3.674 7.916 -0.229 1.00 0.00 C ATOM 455 OG1 THR A 30 -2.972 8.504 -1.333 1.00 0.00 O ATOM 456 CG2 THR A 30 -3.163 8.527 1.067 1.00 0.00 C ATOM 0 H THR A 30 -1.531 6.246 -0.973 1.00 0.00 H new ATOM 0 HA THR A 30 -4.006 5.962 0.615 1.00 0.00 H new ATOM 0 HB THR A 30 -4.742 8.117 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.105 9.475 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.317 9.606 1.046 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.706 8.099 1.910 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.099 8.315 1.175 1.00 0.00 H new ATOM 464 N CYS A 31 -5.237 5.304 -1.518 1.00 0.00 N ATOM 465 CA CYS A 31 -5.804 4.688 -2.711 1.00 0.00 C ATOM 466 C CYS A 31 -6.573 5.694 -3.563 1.00 0.00 C ATOM 467 O CYS A 31 -6.131 6.062 -4.647 1.00 0.00 O ATOM 468 CB CYS A 31 -6.706 3.517 -2.336 1.00 0.00 C ATOM 469 SG CYS A 31 -8.047 3.939 -1.180 1.00 0.00 S ATOM 0 H CYS A 31 -5.851 5.311 -0.704 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.971 4.318 -3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.143 3.106 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.095 2.731 -1.893 1.00 0.00 H new ATOM 474 N SER A 32 -7.725 6.133 -3.072 1.00 0.00 N ATOM 475 CA SER A 32 -8.559 7.057 -3.817 1.00 0.00 C ATOM 476 C SER A 32 -8.392 8.457 -3.257 1.00 0.00 C ATOM 477 O SER A 32 -7.778 9.322 -3.882 1.00 0.00 O ATOM 478 CB SER A 32 -10.026 6.618 -3.732 1.00 0.00 C ATOM 479 OG SER A 32 -10.835 7.283 -4.683 1.00 0.00 O ATOM 0 H SER A 32 -8.099 5.863 -2.163 1.00 0.00 H new ATOM 0 HA SER A 32 -8.256 7.057 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.092 5.541 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.406 6.817 -2.730 1.00 0.00 H new ATOM 0 HG SER A 32 -10.933 8.224 -4.428 1.00 0.00 H new ATOM 485 N TRP A 33 -8.931 8.670 -2.068 1.00 0.00 N ATOM 486 CA TRP A 33 -8.770 9.932 -1.382 1.00 0.00 C ATOM 487 C TRP A 33 -7.541 9.845 -0.488 1.00 0.00 C ATOM 488 O TRP A 33 -7.236 8.783 0.054 1.00 0.00 O ATOM 489 CB TRP A 33 -10.013 10.258 -0.542 1.00 0.00 C ATOM 490 CG TRP A 33 -11.320 9.857 -1.173 1.00 0.00 C ATOM 491 CD1 TRP A 33 -12.366 9.245 -0.544 1.00 0.00 C ATOM 492 CD2 TRP A 33 -11.725 10.022 -2.544 1.00 0.00 C ATOM 493 NE1 TRP A 33 -13.389 9.026 -1.427 1.00 0.00 N ATOM 494 CE2 TRP A 33 -13.021 9.488 -2.660 1.00 0.00 C ATOM 495 CE3 TRP A 33 -11.122 10.567 -3.683 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -13.721 9.481 -3.860 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -11.822 10.559 -4.875 1.00 0.00 C ATOM 498 CH2 TRP A 33 -13.107 10.019 -4.954 1.00 0.00 C ATOM 0 H TRP A 33 -9.485 7.980 -1.560 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.644 10.729 -2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -9.923 9.760 0.424 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -10.033 11.330 -0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -12.384 8.973 0.501 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -14.282 8.588 -1.201 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -10.128 10.986 -3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -14.715 9.065 -3.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -11.367 10.978 -5.760 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -13.626 10.027 -5.901 1.00 0.00 H new ATOM 509 N ARG A 34 -6.841 10.956 -0.345 1.00 0.00 N ATOM 510 CA ARG A 34 -5.629 11.006 0.464 1.00 0.00 C ATOM 511 C ARG A 34 -5.972 10.896 1.946 1.00 0.00 C ATOM 512 O ARG A 34 -5.165 10.436 2.754 1.00 0.00 O ATOM 513 CB ARG A 34 -4.864 12.302 0.167 1.00 0.00 C ATOM 514 CG ARG A 34 -3.639 12.533 1.040 1.00 0.00 C ATOM 515 CD ARG A 34 -3.992 13.257 2.332 1.00 0.00 C ATOM 516 NE ARG A 34 -4.571 14.575 2.083 1.00 0.00 N ATOM 517 CZ ARG A 34 -5.502 15.142 2.851 1.00 0.00 C ATOM 518 NH1 ARG A 34 -5.948 14.517 3.937 1.00 0.00 N ATOM 519 NH2 ARG A 34 -5.976 16.343 2.539 1.00 0.00 N ATOM 0 H ARG A 34 -7.091 11.844 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.991 10.160 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.552 12.292 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.544 13.145 0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.175 11.575 1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.903 13.116 0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.697 12.654 2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.096 13.365 2.943 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.242 15.095 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.578 13.600 4.186 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.660 14.955 4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.628 16.830 1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.688 16.778 3.125 1.00 0.00 H new ATOM 533 N GLN A 35 -7.172 11.335 2.286 1.00 0.00 N ATOM 534 CA GLN A 35 -7.669 11.285 3.661 1.00 0.00 C ATOM 535 C GLN A 35 -7.761 9.855 4.202 1.00 0.00 C ATOM 536 O GLN A 35 -7.887 9.656 5.409 1.00 0.00 O ATOM 537 CB GLN A 35 -9.038 11.951 3.743 1.00 0.00 C ATOM 538 CG GLN A 35 -10.054 11.360 2.786 1.00 0.00 C ATOM 539 CD GLN A 35 -11.402 12.046 2.864 1.00 0.00 C ATOM 540 OE1 GLN A 35 -11.661 13.015 2.150 1.00 0.00 O ATOM 541 NE2 GLN A 35 -12.267 11.555 3.731 1.00 0.00 N ATOM 0 H GLN A 35 -7.833 11.737 1.621 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.951 11.822 4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.416 11.863 4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.929 13.015 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.673 11.433 1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.178 10.299 3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.014 10.750 4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.189 11.980 3.828 1.00 0.00 H new ATOM 550 N LYS A 36 -7.713 8.872 3.312 1.00 0.00 N ATOM 551 CA LYS A 36 -7.781 7.469 3.711 1.00 0.00 C ATOM 552 C LYS A 36 -6.529 6.712 3.274 1.00 0.00 C ATOM 553 O LYS A 36 -5.899 7.055 2.275 1.00 0.00 O ATOM 554 CB LYS A 36 -9.034 6.804 3.135 1.00 0.00 C ATOM 555 CG LYS A 36 -9.264 7.086 1.662 1.00 0.00 C ATOM 556 CD LYS A 36 -10.724 6.917 1.261 1.00 0.00 C ATOM 557 CE LYS A 36 -11.264 5.533 1.584 1.00 0.00 C ATOM 558 NZ LYS A 36 -11.839 5.442 2.955 1.00 0.00 N ATOM 0 H LYS A 36 -7.627 9.019 2.306 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.837 7.433 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.960 5.726 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.903 7.142 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.943 8.102 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.646 6.415 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.327 7.667 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.827 7.102 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.030 5.268 0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.462 4.802 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.322 4.724 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.755 6.364 3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.842 5.175 2.894 1.00 0.00 H new ATOM 572 N THR A 37 -6.197 5.675 4.024 1.00 0.00 N ATOM 573 CA THR A 37 -4.991 4.896 3.792 1.00 0.00 C ATOM 574 C THR A 37 -5.339 3.537 3.184 1.00 0.00 C ATOM 575 O THR A 37 -6.384 2.964 3.502 1.00 0.00 O ATOM 576 CB THR A 37 -4.238 4.690 5.121 1.00 0.00 C ATOM 577 OG1 THR A 37 -4.017 5.961 5.750 1.00 0.00 O ATOM 578 CG2 THR A 37 -2.906 3.992 4.901 1.00 0.00 C ATOM 0 H THR A 37 -6.756 5.348 4.812 1.00 0.00 H new ATOM 0 HA THR A 37 -4.355 5.441 3.094 1.00 0.00 H new ATOM 0 HB THR A 37 -4.850 4.057 5.764 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.054 6.108 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.401 3.862 5.858 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.077 3.016 4.446 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.283 4.596 4.241 1.00 0.00 H new ATOM 586 N CYS A 38 -4.481 3.033 2.304 1.00 0.00 N ATOM 587 CA CYS A 38 -4.694 1.726 1.701 1.00 0.00 C ATOM 588 C CYS A 38 -3.966 0.673 2.533 1.00 0.00 C ATOM 589 O CYS A 38 -2.754 0.705 2.646 1.00 0.00 O ATOM 590 CB CYS A 38 -4.181 1.737 0.257 1.00 0.00 C ATOM 591 SG CYS A 38 -4.705 0.321 -0.753 1.00 0.00 S ATOM 0 H CYS A 38 -3.634 3.509 1.994 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.757 1.487 1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.519 2.654 -0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.092 1.769 0.274 1.00 0.00 H new ATOM 596 N CYS A 39 -4.707 -0.234 3.140 1.00 0.00 N ATOM 597 CA CYS A 39 -4.124 -1.195 4.063 1.00 0.00 C ATOM 598 C CYS A 39 -4.300 -2.622 3.572 1.00 0.00 C ATOM 599 O CYS A 39 -5.418 -3.141 3.522 1.00 0.00 O ATOM 600 CB CYS A 39 -4.765 -1.041 5.438 1.00 0.00 C ATOM 601 SG CYS A 39 -4.444 0.571 6.226 1.00 0.00 S ATOM 0 H CYS A 39 -5.715 -0.327 3.012 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.055 -0.992 4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.842 -1.180 5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.397 -1.833 6.090 1.00 0.00 H new ATOM 606 N VAL A 40 -3.191 -3.258 3.222 1.00 0.00 N ATOM 607 CA VAL A 40 -3.224 -4.632 2.745 1.00 0.00 C ATOM 608 C VAL A 40 -2.668 -5.578 3.796 1.00 0.00 C ATOM 609 O VAL A 40 -1.831 -5.189 4.613 1.00 0.00 O ATOM 610 CB VAL A 40 -2.426 -4.805 1.430 1.00 0.00 C ATOM 611 CG1 VAL A 40 -0.934 -4.680 1.659 1.00 0.00 C ATOM 612 CG2 VAL A 40 -2.771 -6.127 0.758 1.00 0.00 C ATOM 0 H VAL A 40 -2.259 -2.845 3.259 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.268 -4.875 2.549 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.717 -3.997 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.409 -4.807 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.710 -3.695 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.608 -5.448 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.198 -6.227 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.526 -6.951 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.836 -6.151 0.528 1.00 0.00 H new ATOM 622 N ASP A 41 -3.181 -6.803 3.795 1.00 0.00 N ATOM 623 CA ASP A 41 -2.630 -7.876 4.607 1.00 0.00 C ATOM 624 C ASP A 41 -1.206 -8.147 4.150 1.00 0.00 C ATOM 625 O ASP A 41 -0.973 -8.835 3.158 1.00 0.00 O ATOM 626 CB ASP A 41 -3.506 -9.121 4.470 1.00 0.00 C ATOM 627 CG ASP A 41 -2.934 -10.363 5.135 1.00 0.00 C ATOM 628 OD1 ASP A 41 -2.130 -11.071 4.491 1.00 0.00 O ATOM 629 OD2 ASP A 41 -3.325 -10.667 6.284 1.00 0.00 O ATOM 0 H ASP A 41 -3.987 -7.077 3.233 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.613 -7.593 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.486 -8.911 4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.660 -9.328 3.411 1.00 0.00 H new ATOM 634 N THR A 42 -0.264 -7.566 4.861 1.00 0.00 N ATOM 635 CA THR A 42 1.112 -7.532 4.415 1.00 0.00 C ATOM 636 C THR A 42 1.923 -8.707 4.954 1.00 0.00 C ATOM 637 O THR A 42 2.607 -8.589 5.972 1.00 0.00 O ATOM 638 CB THR A 42 1.768 -6.206 4.863 1.00 0.00 C ATOM 639 OG1 THR A 42 1.400 -5.920 6.217 1.00 0.00 O ATOM 640 CG2 THR A 42 1.355 -5.048 3.963 1.00 0.00 C ATOM 0 H THR A 42 -0.428 -7.107 5.757 1.00 0.00 H new ATOM 0 HA THR A 42 1.107 -7.606 3.328 1.00 0.00 H new ATOM 0 HB THR A 42 2.849 -6.322 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.614 -6.690 6.784 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.834 -4.131 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.662 -5.256 2.938 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.272 -4.927 4.000 1.00 0.00 H new ATOM 648 N THR A 43 1.852 -9.839 4.264 1.00 0.00 N ATOM 649 CA THR A 43 2.713 -10.960 4.572 1.00 0.00 C ATOM 650 C THR A 43 3.656 -11.255 3.402 1.00 0.00 C ATOM 651 O THR A 43 4.874 -11.263 3.563 1.00 0.00 O ATOM 652 CB THR A 43 1.902 -12.220 4.978 1.00 0.00 C ATOM 653 OG1 THR A 43 2.775 -13.349 5.124 1.00 0.00 O ATOM 654 CG2 THR A 43 0.808 -12.549 3.971 1.00 0.00 C ATOM 0 H THR A 43 1.207 -9.999 3.490 1.00 0.00 H new ATOM 0 HA THR A 43 3.318 -10.683 5.435 1.00 0.00 H new ATOM 0 HB THR A 43 1.423 -11.998 5.931 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.251 -14.136 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.268 -13.438 4.298 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.116 -11.710 3.899 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.256 -12.735 2.995 1.00 0.00 H new ATOM 662 N SER A 44 3.078 -11.547 2.242 1.00 0.00 N ATOM 663 CA SER A 44 3.834 -11.869 1.042 1.00 0.00 C ATOM 664 C SER A 44 3.986 -10.672 0.095 1.00 0.00 C ATOM 665 O SER A 44 5.088 -10.193 -0.173 1.00 0.00 O ATOM 666 CB SER A 44 3.144 -13.026 0.341 1.00 0.00 C ATOM 667 OG SER A 44 1.774 -12.736 0.108 1.00 0.00 O ATOM 0 H SER A 44 2.067 -11.566 2.109 1.00 0.00 H new ATOM 0 HA SER A 44 4.846 -12.147 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.642 -13.231 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.230 -13.927 0.948 1.00 0.00 H new ATOM 0 HG SER A 44 1.352 -13.495 -0.346 1.00 0.00 H new ATOM 673 N ASP A 45 2.847 -10.202 -0.400 1.00 0.00 N ATOM 674 CA ASP A 45 2.781 -9.209 -1.472 1.00 0.00 C ATOM 675 C ASP A 45 3.125 -7.806 -0.977 1.00 0.00 C ATOM 676 O ASP A 45 3.242 -6.872 -1.766 1.00 0.00 O ATOM 677 CB ASP A 45 1.385 -9.226 -2.099 1.00 0.00 C ATOM 678 CG ASP A 45 1.317 -8.495 -3.425 1.00 0.00 C ATOM 679 OD1 ASP A 45 0.401 -7.666 -3.607 1.00 0.00 O ATOM 680 OD2 ASP A 45 2.170 -8.758 -4.302 1.00 0.00 O ATOM 0 H ASP A 45 1.931 -10.502 -0.066 1.00 0.00 H new ATOM 0 HA ASP A 45 3.525 -9.474 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.072 -10.260 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.677 -8.773 -1.405 1.00 0.00 H new ATOM 685 N PHE A 46 3.280 -7.681 0.338 1.00 0.00 N ATOM 686 CA PHE A 46 3.554 -6.401 1.010 1.00 0.00 C ATOM 687 C PHE A 46 4.723 -5.629 0.396 1.00 0.00 C ATOM 688 O PHE A 46 4.902 -4.443 0.647 1.00 0.00 O ATOM 689 CB PHE A 46 3.836 -6.655 2.473 1.00 0.00 C ATOM 690 CG PHE A 46 5.166 -7.266 2.733 1.00 0.00 C ATOM 691 CD1 PHE A 46 6.156 -6.554 3.360 1.00 0.00 C ATOM 692 CD2 PHE A 46 5.409 -8.554 2.347 1.00 0.00 C ATOM 693 CE1 PHE A 46 7.389 -7.125 3.604 1.00 0.00 C ATOM 694 CE2 PHE A 46 6.631 -9.145 2.578 1.00 0.00 C ATOM 695 CZ PHE A 46 7.629 -8.428 3.212 1.00 0.00 C ATOM 0 H PHE A 46 3.219 -8.471 0.980 1.00 0.00 H new ATOM 0 HA PHE A 46 2.666 -5.782 0.882 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.768 -5.712 3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.062 -7.309 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.969 -5.535 3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.631 -9.117 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.162 -6.556 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.809 -10.163 2.266 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.590 -8.884 3.400 1.00 0.00 H new ATOM 705 N HIS A 47 5.518 -6.323 -0.390 1.00 0.00 N ATOM 706 CA HIS A 47 6.622 -5.724 -1.138 1.00 0.00 C ATOM 707 C HIS A 47 6.151 -4.712 -2.184 1.00 0.00 C ATOM 708 O HIS A 47 6.965 -4.183 -2.924 1.00 0.00 O ATOM 709 CB HIS A 47 7.490 -6.796 -1.792 1.00 0.00 C ATOM 710 CG HIS A 47 8.537 -7.322 -0.870 1.00 0.00 C ATOM 711 ND1 HIS A 47 9.612 -6.568 -0.467 1.00 0.00 N ATOM 712 CD2 HIS A 47 8.653 -8.512 -0.236 1.00 0.00 C ATOM 713 CE1 HIS A 47 10.344 -7.264 0.376 1.00 0.00 C ATOM 714 NE2 HIS A 47 9.786 -8.450 0.535 1.00 0.00 N ATOM 0 H HIS A 47 5.422 -7.328 -0.535 1.00 0.00 H new ATOM 0 HA HIS A 47 7.222 -5.178 -0.410 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.857 -7.618 -2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.967 -6.381 -2.680 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.980 -9.352 -0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.249 -6.923 0.857 1.00 0.00 H new ATOM 0 HE2 HIS A 47 10.139 -9.197 1.133 1.00 0.00 H new ATOM 723 N THR A 48 4.841 -4.486 -2.248 1.00 0.00 N ATOM 724 CA THR A 48 4.174 -3.620 -3.238 1.00 0.00 C ATOM 725 C THR A 48 4.825 -2.227 -3.446 1.00 0.00 C ATOM 726 O THR A 48 4.415 -1.481 -4.333 1.00 0.00 O ATOM 727 CB THR A 48 2.724 -3.396 -2.772 1.00 0.00 C ATOM 728 OG1 THR A 48 2.072 -4.648 -2.541 1.00 0.00 O ATOM 729 CG2 THR A 48 1.915 -2.591 -3.773 1.00 0.00 C ATOM 0 H THR A 48 4.185 -4.912 -1.593 1.00 0.00 H new ATOM 0 HA THR A 48 4.254 -4.139 -4.193 1.00 0.00 H new ATOM 0 HB THR A 48 2.778 -2.827 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.723 -5.376 -2.625 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.900 -2.460 -3.399 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.379 -1.615 -3.914 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.885 -3.120 -4.726 1.00 0.00 H new ATOM 737 N CYS A 49 5.827 -1.880 -2.653 1.00 0.00 N ATOM 738 CA CYS A 49 6.442 -0.550 -2.707 1.00 0.00 C ATOM 739 C CYS A 49 6.710 -0.066 -4.147 1.00 0.00 C ATOM 740 O CYS A 49 6.349 1.057 -4.492 1.00 0.00 O ATOM 741 CB CYS A 49 7.734 -0.513 -1.882 1.00 0.00 C ATOM 742 SG CYS A 49 9.134 -1.456 -2.576 1.00 0.00 S ATOM 0 H CYS A 49 6.239 -2.502 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 49 5.719 0.140 -2.272 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.041 0.526 -1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.519 -0.896 -0.884 1.00 0.00 H new ATOM 747 N GLN A 50 7.291 -0.914 -5.000 1.00 0.00 N ATOM 748 CA GLN A 50 7.628 -0.511 -6.368 1.00 0.00 C ATOM 749 C GLN A 50 6.375 -0.169 -7.174 1.00 0.00 C ATOM 750 O GLN A 50 6.415 0.684 -8.060 1.00 0.00 O ATOM 751 CB GLN A 50 8.439 -1.598 -7.093 1.00 0.00 C ATOM 752 CG GLN A 50 7.646 -2.844 -7.477 1.00 0.00 C ATOM 753 CD GLN A 50 7.156 -3.635 -6.283 1.00 0.00 C ATOM 754 OE1 GLN A 50 6.067 -4.207 -6.312 1.00 0.00 O ATOM 755 NE2 GLN A 50 7.968 -3.713 -5.245 1.00 0.00 N ATOM 0 H GLN A 50 7.536 -1.877 -4.770 1.00 0.00 H new ATOM 0 HA GLN A 50 8.245 0.384 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.870 -1.167 -7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.270 -1.897 -6.454 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.790 -2.548 -8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.271 -3.486 -8.098 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.863 -3.224 -5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.700 -4.262 -4.428 1.00 0.00 H new ATOM 764 N ASP A 51 5.262 -0.820 -6.846 1.00 0.00 N ATOM 765 CA ASP A 51 3.991 -0.573 -7.527 1.00 0.00 C ATOM 766 C ASP A 51 3.475 0.809 -7.158 1.00 0.00 C ATOM 767 O ASP A 51 2.904 1.523 -7.981 1.00 0.00 O ATOM 768 CB ASP A 51 2.958 -1.637 -7.135 1.00 0.00 C ATOM 769 CG ASP A 51 1.641 -1.495 -7.877 1.00 0.00 C ATOM 770 OD1 ASP A 51 0.753 -0.756 -7.401 1.00 0.00 O ATOM 771 OD2 ASP A 51 1.474 -2.146 -8.930 1.00 0.00 O ATOM 0 H ASP A 51 5.213 -1.525 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 51 4.152 -0.625 -8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.373 -2.626 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.772 -1.576 -6.063 1.00 0.00 H new ATOM 776 N LYS A 52 3.714 1.180 -5.908 1.00 0.00 N ATOM 777 CA LYS A 52 3.305 2.475 -5.386 1.00 0.00 C ATOM 778 C LYS A 52 4.218 3.585 -5.893 1.00 0.00 C ATOM 779 O LYS A 52 3.851 4.759 -5.883 1.00 0.00 O ATOM 780 CB LYS A 52 3.344 2.456 -3.862 1.00 0.00 C ATOM 781 CG LYS A 52 2.240 1.636 -3.220 1.00 0.00 C ATOM 782 CD LYS A 52 0.874 2.281 -3.411 1.00 0.00 C ATOM 783 CE LYS A 52 0.866 3.731 -2.942 1.00 0.00 C ATOM 784 NZ LYS A 52 1.350 3.875 -1.546 1.00 0.00 N ATOM 0 H LYS A 52 4.196 0.592 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 52 2.290 2.670 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.308 2.062 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.280 3.481 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.233 0.635 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.443 1.523 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.595 2.237 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.124 1.715 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.492 4.328 -3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.146 4.129 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.488 4.883 -1.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.649 3.472 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.253 3.371 -1.438 1.00 0.00 H new ATOM 798 N GLY A 53 5.408 3.203 -6.327 1.00 0.00 N ATOM 799 CA GLY A 53 6.391 4.174 -6.759 1.00 0.00 C ATOM 800 C GLY A 53 7.653 4.089 -5.930 1.00 0.00 C ATOM 801 O GLY A 53 8.192 5.104 -5.487 1.00 0.00 O ATOM 0 H GLY A 53 5.713 2.231 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.632 4.008 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.971 5.177 -6.683 1.00 0.00 H new ATOM 805 N GLY A 54 8.116 2.867 -5.717 1.00 0.00 N ATOM 806 CA GLY A 54 9.273 2.639 -4.882 1.00 0.00 C ATOM 807 C GLY A 54 10.571 2.804 -5.634 1.00 0.00 C ATOM 808 O GLY A 54 10.790 2.173 -6.669 1.00 0.00 O ATOM 0 H GLY A 54 7.705 2.022 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.253 3.333 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.224 1.633 -4.465 1.00 0.00 H new ATOM 812 N HIS A 55 11.422 3.670 -5.119 1.00 0.00 N ATOM 813 CA HIS A 55 12.720 3.930 -5.717 1.00 0.00 C ATOM 814 C HIS A 55 13.805 3.189 -4.951 1.00 0.00 C ATOM 815 O HIS A 55 13.549 2.632 -3.887 1.00 0.00 O ATOM 816 CB HIS A 55 13.008 5.433 -5.723 1.00 0.00 C ATOM 817 CG HIS A 55 12.146 6.207 -6.672 1.00 0.00 C ATOM 818 ND1 HIS A 55 12.579 6.636 -7.908 1.00 0.00 N ATOM 819 CD2 HIS A 55 10.869 6.638 -6.556 1.00 0.00 C ATOM 820 CE1 HIS A 55 11.606 7.297 -8.507 1.00 0.00 C ATOM 821 NE2 HIS A 55 10.557 7.312 -7.707 1.00 0.00 N ATOM 0 H HIS A 55 11.235 4.213 -4.276 1.00 0.00 H new ATOM 0 HA HIS A 55 12.711 3.573 -6.747 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.867 5.825 -4.716 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.054 5.593 -5.984 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.215 6.480 -5.711 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.660 7.749 -9.486 1.00 0.00 H new ATOM 0 HE2 HIS A 55 9.661 7.753 -7.912 1.00 0.00 H new ATOM 830 N CYS A 56 15.015 3.201 -5.476 1.00 0.00 N ATOM 831 CA CYS A 56 16.129 2.529 -4.834 1.00 0.00 C ATOM 832 C CYS A 56 17.260 3.503 -4.609 1.00 0.00 C ATOM 833 O CYS A 56 17.833 4.037 -5.560 1.00 0.00 O ATOM 834 CB CYS A 56 16.612 1.346 -5.671 1.00 0.00 C ATOM 835 SG CYS A 56 15.522 -0.112 -5.571 1.00 0.00 S ATOM 0 H CYS A 56 15.253 3.671 -6.350 1.00 0.00 H new ATOM 0 HA CYS A 56 15.789 2.147 -3.872 1.00 0.00 H new ATOM 0 HB2 CYS A 56 16.693 1.658 -6.712 1.00 0.00 H new ATOM 0 HB3 CYS A 56 17.613 1.064 -5.343 1.00 0.00 H new ATOM 840 N VAL A 57 17.569 3.751 -3.352 1.00 0.00 N ATOM 841 CA VAL A 57 18.612 4.694 -3.014 1.00 0.00 C ATOM 842 C VAL A 57 19.727 4.011 -2.250 1.00 0.00 C ATOM 843 O VAL A 57 19.494 3.118 -1.425 1.00 0.00 O ATOM 844 CB VAL A 57 18.065 5.881 -2.198 1.00 0.00 C ATOM 845 CG1 VAL A 57 16.959 6.580 -2.963 1.00 0.00 C ATOM 846 CG2 VAL A 57 17.581 5.438 -0.825 1.00 0.00 C ATOM 0 H VAL A 57 17.113 3.313 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 57 19.010 5.083 -3.951 1.00 0.00 H new ATOM 0 HB VAL A 57 18.880 6.587 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 57 16.582 7.416 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 57 17.350 6.950 -3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.149 5.877 -3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 57 17.202 6.301 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.785 4.703 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 57 18.409 4.993 -0.273 1.00 0.00 H new ATOM 856 N SER A 58 20.936 4.420 -2.566 1.00 0.00 N ATOM 857 CA SER A 58 22.119 3.899 -1.946 1.00 0.00 C ATOM 858 C SER A 58 22.300 4.493 -0.557 1.00 0.00 C ATOM 859 O SER A 58 21.681 5.507 -0.224 1.00 0.00 O ATOM 860 CB SER A 58 23.300 4.228 -2.858 1.00 0.00 C ATOM 861 OG SER A 58 23.064 5.417 -3.588 1.00 0.00 O ATOM 0 H SER A 58 21.120 5.134 -3.271 1.00 0.00 H new ATOM 0 HA SER A 58 22.045 2.819 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 58 24.205 4.338 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 58 23.472 3.402 -3.548 1.00 0.00 H new ATOM 0 HG SER A 58 22.760 5.191 -4.492 1.00 0.00 H new ATOM 867 N PRO A 59 23.133 3.862 0.284 1.00 0.00 N ATOM 868 CA PRO A 59 23.435 4.368 1.626 1.00 0.00 C ATOM 869 C PRO A 59 23.996 5.791 1.591 1.00 0.00 C ATOM 870 O PRO A 59 23.970 6.506 2.593 1.00 0.00 O ATOM 871 CB PRO A 59 24.482 3.386 2.170 1.00 0.00 C ATOM 872 CG PRO A 59 24.955 2.601 0.990 1.00 0.00 C ATOM 873 CD PRO A 59 23.823 2.594 0.006 1.00 0.00 C ATOM 0 HA PRO A 59 22.540 4.426 2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 59 25.308 3.917 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 59 24.049 2.732 2.927 1.00 0.00 H new ATOM 0 HG2 PRO A 59 25.846 3.053 0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 59 25.223 1.585 1.281 1.00 0.00 H new ATOM 0 HD2 PRO A 59 24.183 2.547 -1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 59 23.166 1.737 0.153 1.00 0.00 H new ATOM 881 N LYS A 60 24.483 6.203 0.426 1.00 0.00 N ATOM 882 CA LYS A 60 25.048 7.535 0.253 1.00 0.00 C ATOM 883 C LYS A 60 23.965 8.567 -0.059 1.00 0.00 C ATOM 884 O LYS A 60 24.214 9.771 0.002 1.00 0.00 O ATOM 885 CB LYS A 60 26.089 7.530 -0.867 1.00 0.00 C ATOM 886 CG LYS A 60 27.290 6.636 -0.596 1.00 0.00 C ATOM 887 CD LYS A 60 28.032 7.043 0.670 1.00 0.00 C ATOM 888 CE LYS A 60 28.501 8.491 0.618 1.00 0.00 C ATOM 889 NZ LYS A 60 29.387 8.755 -0.545 1.00 0.00 N ATOM 0 H LYS A 60 24.497 5.629 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 60 25.525 7.813 1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 60 25.611 7.207 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 60 26.438 8.550 -1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 60 26.958 5.602 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 60 27.972 6.678 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 60 27.380 6.904 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 60 28.892 6.389 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 60 27.634 9.150 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 60 29.032 8.732 1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 29.775 9.717 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 30.166 8.067 -0.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 28.840 8.666 -1.425 1.00 0.00 H new ATOM 903 N ILE A 61 22.767 8.099 -0.384 1.00 0.00 N ATOM 904 CA ILE A 61 21.671 8.994 -0.718 1.00 0.00 C ATOM 905 C ILE A 61 21.021 9.506 0.550 1.00 0.00 C ATOM 906 O ILE A 61 20.933 8.786 1.548 1.00 0.00 O ATOM 907 CB ILE A 61 20.595 8.284 -1.567 1.00 0.00 C ATOM 908 CG1 ILE A 61 21.225 7.655 -2.803 1.00 0.00 C ATOM 909 CG2 ILE A 61 19.488 9.249 -1.968 1.00 0.00 C ATOM 910 CD1 ILE A 61 21.717 8.643 -3.832 1.00 0.00 C ATOM 0 H ILE A 61 22.532 7.107 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 61 22.088 9.819 -1.296 1.00 0.00 H new ATOM 0 HB ILE A 61 20.151 7.496 -0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.062 7.030 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 61 20.494 6.997 -3.272 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.744 8.722 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.015 9.652 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.911 10.065 -2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 61 22.149 8.105 -4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.883 9.252 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.475 9.287 -3.385 1.00 0.00 H new ATOM 922 N ARG A 62 20.579 10.743 0.515 1.00 0.00 N ATOM 923 CA ARG A 62 19.846 11.302 1.634 1.00 0.00 C ATOM 924 C ARG A 62 18.383 11.462 1.262 1.00 0.00 C ATOM 925 O ARG A 62 17.956 12.502 0.758 1.00 0.00 O ATOM 926 CB ARG A 62 20.440 12.638 2.092 1.00 0.00 C ATOM 927 CG ARG A 62 21.787 12.508 2.790 1.00 0.00 C ATOM 928 CD ARG A 62 22.932 12.340 1.802 1.00 0.00 C ATOM 929 NE ARG A 62 23.113 13.528 0.970 1.00 0.00 N ATOM 930 CZ ARG A 62 23.876 13.572 -0.120 1.00 0.00 C ATOM 931 NH1 ARG A 62 24.529 12.489 -0.528 1.00 0.00 N ATOM 932 NH2 ARG A 62 23.981 14.703 -0.806 1.00 0.00 N ATOM 0 H ARG A 62 20.712 11.380 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 62 19.928 10.611 2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 62 20.552 13.290 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 62 19.737 13.124 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 62 21.964 13.392 3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 62 21.763 11.653 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 62 23.854 12.134 2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 62 22.738 11.477 1.165 1.00 0.00 H new ATOM 0 HE ARG A 62 22.622 14.380 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 62 24.447 11.617 -0.005 1.00 0.00 H new ATOM 0 HH12 ARG A 62 25.112 12.530 -1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 62 23.478 15.535 -0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 62 24.565 14.740 -1.642 1.00 0.00 H new ATOM 946 N CYS A 63 17.631 10.407 1.505 1.00 0.00 N ATOM 947 CA CYS A 63 16.214 10.356 1.188 1.00 0.00 C ATOM 948 C CYS A 63 15.451 9.840 2.388 1.00 0.00 C ATOM 949 O CYS A 63 16.021 9.160 3.245 1.00 0.00 O ATOM 950 CB CYS A 63 15.991 9.442 -0.025 1.00 0.00 C ATOM 951 SG CYS A 63 14.246 9.218 -0.509 1.00 0.00 S ATOM 0 H CYS A 63 17.988 9.552 1.932 1.00 0.00 H new ATOM 0 HA CYS A 63 15.853 11.355 0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.539 9.850 -0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.421 8.464 0.192 1.00 0.00 H new ATOM 956 N LEU A 64 14.175 10.181 2.476 1.00 0.00 N ATOM 957 CA LEU A 64 13.330 9.581 3.484 1.00 0.00 C ATOM 958 C LEU A 64 12.935 8.207 2.978 1.00 0.00 C ATOM 959 O LEU A 64 11.867 8.017 2.392 1.00 0.00 O ATOM 960 CB LEU A 64 12.089 10.442 3.761 1.00 0.00 C ATOM 961 CG LEU A 64 12.340 11.789 4.460 1.00 0.00 C ATOM 962 CD1 LEU A 64 13.199 11.605 5.702 1.00 0.00 C ATOM 963 CD2 LEU A 64 12.977 12.794 3.511 1.00 0.00 C ATOM 0 H LEU A 64 13.712 10.859 1.871 1.00 0.00 H new ATOM 0 HA LEU A 64 13.868 9.504 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.588 10.636 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.399 9.862 4.373 1.00 0.00 H new ATOM 0 HG LEU A 64 11.373 12.186 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 64 13.362 12.572 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.692 10.938 6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 64 14.159 11.173 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 64 13.142 13.736 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.931 12.405 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.315 12.962 2.662 1.00 0.00 H new ATOM 975 N GLU A 65 13.816 7.262 3.233 1.00 0.00 N ATOM 976 CA GLU A 65 13.729 5.929 2.664 1.00 0.00 C ATOM 977 C GLU A 65 12.935 4.974 3.538 1.00 0.00 C ATOM 978 O GLU A 65 12.485 5.340 4.624 1.00 0.00 O ATOM 979 CB GLU A 65 15.126 5.361 2.340 1.00 0.00 C ATOM 980 CG GLU A 65 16.241 5.747 3.308 1.00 0.00 C ATOM 981 CD GLU A 65 16.049 5.213 4.709 1.00 0.00 C ATOM 982 OE1 GLU A 65 16.491 4.079 4.980 1.00 0.00 O ATOM 983 OE2 GLU A 65 15.484 5.936 5.552 1.00 0.00 O ATOM 0 H GLU A 65 14.620 7.397 3.846 1.00 0.00 H new ATOM 0 HA GLU A 65 13.181 6.027 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.057 4.274 2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.408 5.690 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.191 5.381 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.311 6.834 3.351 1.00 0.00 H new ATOM 990 N GLU A 66 12.711 3.778 2.987 1.00 0.00 N ATOM 991 CA GLU A 66 12.000 2.679 3.643 1.00 0.00 C ATOM 992 C GLU A 66 10.512 2.750 3.360 1.00 0.00 C ATOM 993 O GLU A 66 9.698 3.071 4.228 1.00 0.00 O ATOM 994 CB GLU A 66 12.279 2.607 5.147 1.00 0.00 C ATOM 995 CG GLU A 66 13.759 2.516 5.461 1.00 0.00 C ATOM 996 CD GLU A 66 14.035 2.103 6.890 1.00 0.00 C ATOM 997 OE1 GLU A 66 14.110 2.990 7.764 1.00 0.00 O ATOM 998 OE2 GLU A 66 14.180 0.889 7.150 1.00 0.00 O ATOM 0 H GLU A 66 13.028 3.542 2.047 1.00 0.00 H new ATOM 0 HA GLU A 66 12.386 1.754 3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.862 3.489 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.768 1.740 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.225 1.799 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.225 3.483 5.271 1.00 0.00 H new ATOM 1005 N GLN A 67 10.176 2.461 2.116 1.00 0.00 N ATOM 1006 CA GLN A 67 8.795 2.351 1.697 1.00 0.00 C ATOM 1007 C GLN A 67 8.231 1.034 2.201 1.00 0.00 C ATOM 1008 O GLN A 67 7.365 1.013 3.073 1.00 0.00 O ATOM 1009 CB GLN A 67 8.691 2.420 0.179 1.00 0.00 C ATOM 1010 CG GLN A 67 7.262 2.572 -0.296 1.00 0.00 C ATOM 1011 CD GLN A 67 7.169 3.008 -1.736 1.00 0.00 C ATOM 1012 OE1 GLN A 67 8.099 3.588 -2.283 1.00 0.00 O ATOM 1013 NE2 GLN A 67 6.022 2.798 -2.338 1.00 0.00 N ATOM 0 H GLN A 67 10.853 2.297 1.371 1.00 0.00 H new ATOM 0 HA GLN A 67 8.223 3.180 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.283 3.260 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.120 1.516 -0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.740 1.623 -0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 67 6.750 3.300 0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.271 2.311 -1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.881 3.122 -3.295 1.00 0.00 H new ATOM 1022 N LEU A 68 8.756 -0.060 1.657 1.00 0.00 N ATOM 1023 CA LEU A 68 8.397 -1.400 2.101 1.00 0.00 C ATOM 1024 C LEU A 68 9.287 -2.442 1.427 1.00 0.00 C ATOM 1025 O LEU A 68 8.843 -3.154 0.525 1.00 0.00 O ATOM 1026 CB LEU A 68 6.932 -1.720 1.777 1.00 0.00 C ATOM 1027 CG LEU A 68 6.140 -2.425 2.889 1.00 0.00 C ATOM 1028 CD1 LEU A 68 7.017 -3.388 3.678 1.00 0.00 C ATOM 1029 CD2 LEU A 68 5.494 -1.412 3.820 1.00 0.00 C ATOM 0 H LEU A 68 9.439 -0.042 0.900 1.00 0.00 H new ATOM 0 HA LEU A 68 8.539 -1.433 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.423 -0.789 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.905 -2.346 0.885 1.00 0.00 H new ATOM 0 HG LEU A 68 5.353 -3.007 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.422 -3.868 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.418 -4.148 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.839 -2.839 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.939 -1.935 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.267 -0.794 4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.812 -0.779 3.252 1.00 0.00 H new ATOM 1041 N GLY A 69 10.539 -2.531 1.846 1.00 0.00 N ATOM 1042 CA GLY A 69 11.406 -3.546 1.287 1.00 0.00 C ATOM 1043 C GLY A 69 12.839 -3.107 1.115 1.00 0.00 C ATOM 1044 O GLY A 69 13.157 -1.912 1.130 1.00 0.00 O ATOM 0 H GLY A 69 10.965 -1.930 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.382 -4.424 1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.012 -3.851 0.318 1.00 0.00 H new ATOM 1048 N LEU A 70 13.696 -4.098 0.959 1.00 0.00 N ATOM 1049 CA LEU A 70 15.111 -3.891 0.747 1.00 0.00 C ATOM 1050 C LEU A 70 15.421 -4.178 -0.723 1.00 0.00 C ATOM 1051 O LEU A 70 14.970 -5.184 -1.272 1.00 0.00 O ATOM 1052 CB LEU A 70 15.883 -4.826 1.688 1.00 0.00 C ATOM 1053 CG LEU A 70 17.340 -4.454 1.997 1.00 0.00 C ATOM 1054 CD1 LEU A 70 17.865 -5.316 3.131 1.00 0.00 C ATOM 1055 CD2 LEU A 70 18.231 -4.614 0.779 1.00 0.00 C ATOM 0 H LEU A 70 13.423 -5.081 0.977 1.00 0.00 H new ATOM 0 HA LEU A 70 15.409 -2.866 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.340 -4.881 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.873 -5.826 1.255 1.00 0.00 H new ATOM 0 HG LEU A 70 17.358 -3.405 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.899 -5.046 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.257 -5.156 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.816 -6.366 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 70 19.254 -4.341 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.206 -5.651 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.874 -3.965 -0.021 1.00 0.00 H new ATOM 1067 N CYS A 71 16.166 -3.282 -1.352 1.00 0.00 N ATOM 1068 CA CYS A 71 16.424 -3.355 -2.788 1.00 0.00 C ATOM 1069 C CYS A 71 17.424 -4.455 -3.140 1.00 0.00 C ATOM 1070 O CYS A 71 18.129 -4.947 -2.261 1.00 0.00 O ATOM 1071 CB CYS A 71 16.922 -2.003 -3.293 1.00 0.00 C ATOM 1072 SG CYS A 71 15.609 -0.751 -3.459 1.00 0.00 S ATOM 0 H CYS A 71 16.607 -2.488 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 71 15.485 -3.607 -3.281 1.00 0.00 H new ATOM 0 HB2 CYS A 71 17.684 -1.628 -2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 71 17.403 -2.142 -4.261 1.00 0.00 H new ATOM 1077 N PRO A 72 17.473 -4.880 -4.422 1.00 0.00 N ATOM 1078 CA PRO A 72 18.399 -5.925 -4.881 1.00 0.00 C ATOM 1079 C PRO A 72 19.817 -5.724 -4.353 1.00 0.00 C ATOM 1080 O PRO A 72 20.459 -6.668 -3.883 1.00 0.00 O ATOM 1081 CB PRO A 72 18.366 -5.771 -6.399 1.00 0.00 C ATOM 1082 CG PRO A 72 16.998 -5.262 -6.689 1.00 0.00 C ATOM 1083 CD PRO A 72 16.628 -4.378 -5.526 1.00 0.00 C ATOM 0 HA PRO A 72 18.108 -6.914 -4.528 1.00 0.00 H new ATOM 0 HB2 PRO A 72 19.131 -5.075 -6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.551 -6.722 -6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.980 -4.703 -7.625 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.290 -6.084 -6.795 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.831 -3.329 -5.740 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.568 -4.455 -5.286 1.00 0.00 H new ATOM 1091 N LEU A 73 20.296 -4.488 -4.420 1.00 0.00 N ATOM 1092 CA LEU A 73 21.596 -4.154 -3.868 1.00 0.00 C ATOM 1093 C LEU A 73 21.546 -4.211 -2.352 1.00 0.00 C ATOM 1094 O LEU A 73 20.666 -3.631 -1.717 1.00 0.00 O ATOM 1095 CB LEU A 73 22.053 -2.786 -4.353 1.00 0.00 C ATOM 1096 CG LEU A 73 22.292 -2.712 -5.853 1.00 0.00 C ATOM 1097 CD1 LEU A 73 22.430 -1.278 -6.315 1.00 0.00 C ATOM 1098 CD2 LEU A 73 23.529 -3.502 -6.237 1.00 0.00 C ATOM 0 H LEU A 73 19.803 -3.705 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 73 22.325 -4.886 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.303 -2.045 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 73 22.973 -2.516 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 73 21.425 -3.150 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 73 22.600 -1.257 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.517 -0.731 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 73 23.273 -0.811 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 73 23.683 -3.437 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.397 -3.092 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.397 -4.546 -5.952 1.00 0.00 H new ATOM 1110 N LYS A 74 22.526 -4.892 -1.798 1.00 0.00 N ATOM 1111 CA LYS A 74 22.514 -5.310 -0.390 1.00 0.00 C ATOM 1112 C LYS A 74 22.379 -4.144 0.591 1.00 0.00 C ATOM 1113 O LYS A 74 21.801 -4.295 1.668 1.00 0.00 O ATOM 1114 CB LYS A 74 23.783 -6.104 -0.072 1.00 0.00 C ATOM 1115 CG LYS A 74 23.923 -7.418 -0.837 1.00 0.00 C ATOM 1116 CD LYS A 74 23.034 -8.523 -0.271 1.00 0.00 C ATOM 1117 CE LYS A 74 21.651 -8.547 -0.910 1.00 0.00 C ATOM 1118 NZ LYS A 74 20.789 -9.605 -0.321 1.00 0.00 N ATOM 0 H LYS A 74 23.364 -5.179 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 74 21.629 -5.933 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.650 -5.479 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 74 23.803 -6.318 0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 74 23.670 -7.253 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 74 24.963 -7.742 -0.808 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.518 -9.488 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.931 -8.386 0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.174 -7.576 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.749 -8.713 -1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.857 -9.590 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.232 -10.535 -0.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.674 -9.432 0.698 1.00 0.00 H new ATOM 1132 N ARG A 75 22.898 -2.987 0.224 1.00 0.00 N ATOM 1133 CA ARG A 75 22.896 -1.843 1.129 1.00 0.00 C ATOM 1134 C ARG A 75 21.916 -0.774 0.672 1.00 0.00 C ATOM 1135 O ARG A 75 21.921 0.344 1.183 1.00 0.00 O ATOM 1136 CB ARG A 75 24.302 -1.238 1.270 1.00 0.00 C ATOM 1137 CG ARG A 75 25.081 -1.127 -0.035 1.00 0.00 C ATOM 1138 CD ARG A 75 25.817 -2.419 -0.353 1.00 0.00 C ATOM 1139 NE ARG A 75 26.460 -2.389 -1.664 1.00 0.00 N ATOM 1140 CZ ARG A 75 27.527 -3.121 -1.979 1.00 0.00 C ATOM 1141 NH1 ARG A 75 28.069 -3.928 -1.073 1.00 0.00 N ATOM 1142 NH2 ARG A 75 28.051 -3.048 -3.197 1.00 0.00 N ATOM 0 H ARG A 75 23.324 -2.811 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 75 22.577 -2.210 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 75 24.213 -0.245 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 75 24.876 -1.846 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 75 24.398 -0.886 -0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 75 25.796 -0.307 0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 75 26.570 -2.602 0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 75 25.115 -3.252 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 75 26.070 -1.773 -2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 75 27.668 -3.986 -0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 75 28.886 -4.489 -1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 75 27.636 -2.430 -3.894 1.00 0.00 H new ATOM 0 HH22 ARG A 75 28.868 -3.610 -3.435 1.00 0.00 H new ATOM 1156 N TRP A 76 21.072 -1.114 -0.286 1.00 0.00 N ATOM 1157 CA TRP A 76 20.129 -0.153 -0.832 1.00 0.00 C ATOM 1158 C TRP A 76 18.749 -0.323 -0.232 1.00 0.00 C ATOM 1159 O TRP A 76 18.348 -1.424 0.150 1.00 0.00 O ATOM 1160 CB TRP A 76 20.066 -0.275 -2.346 1.00 0.00 C ATOM 1161 CG TRP A 76 21.316 0.208 -2.995 1.00 0.00 C ATOM 1162 CD1 TRP A 76 22.583 -0.190 -2.709 1.00 0.00 C ATOM 1163 CD2 TRP A 76 21.425 1.200 -4.008 1.00 0.00 C ATOM 1164 NE1 TRP A 76 23.475 0.467 -3.502 1.00 0.00 N ATOM 1165 CE2 TRP A 76 22.791 1.336 -4.305 1.00 0.00 C ATOM 1166 CE3 TRP A 76 20.500 1.980 -4.698 1.00 0.00 C ATOM 1167 CZ2 TRP A 76 23.255 2.225 -5.259 1.00 0.00 C ATOM 1168 CZ3 TRP A 76 20.960 2.873 -5.638 1.00 0.00 C ATOM 1169 CH2 TRP A 76 22.328 2.989 -5.912 1.00 0.00 C ATOM 0 H TRP A 76 21.020 -2.044 -0.701 1.00 0.00 H new ATOM 0 HA TRP A 76 20.484 0.844 -0.571 1.00 0.00 H new ATOM 0 HB2 TRP A 76 19.894 -1.316 -2.619 1.00 0.00 H new ATOM 0 HB3 TRP A 76 19.218 0.297 -2.721 1.00 0.00 H new ATOM 0 HD1 TRP A 76 22.846 -0.922 -1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 76 24.486 0.333 -3.497 1.00 0.00 H new ATOM 0 HE3 TRP A 76 19.443 1.886 -4.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 24.309 2.312 -5.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 20.256 3.493 -6.172 1.00 0.00 H new ATOM 0 HH2 TRP A 76 22.659 3.698 -6.656 1.00 0.00 H new ATOM 1180 N THR A 77 18.028 0.774 -0.157 1.00 0.00 N ATOM 1181 CA THR A 77 16.720 0.783 0.463 1.00 0.00 C ATOM 1182 C THR A 77 15.646 1.221 -0.529 1.00 0.00 C ATOM 1183 O THR A 77 15.848 2.167 -1.295 1.00 0.00 O ATOM 1184 CB THR A 77 16.709 1.732 1.673 1.00 0.00 C ATOM 1185 OG1 THR A 77 17.838 1.461 2.518 1.00 0.00 O ATOM 1186 CG2 THR A 77 15.428 1.575 2.474 1.00 0.00 C ATOM 0 H THR A 77 18.328 1.678 -0.521 1.00 0.00 H new ATOM 0 HA THR A 77 16.502 -0.233 0.793 1.00 0.00 H new ATOM 0 HB THR A 77 16.765 2.756 1.303 1.00 0.00 H new ATOM 0 HG1 THR A 77 17.826 2.070 3.286 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.445 2.257 3.324 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.572 1.806 1.840 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.347 0.549 2.833 1.00 0.00 H new ATOM 1194 N CYS A 78 14.518 0.517 -0.518 1.00 0.00 N ATOM 1195 CA CYS A 78 13.367 0.905 -1.318 1.00 0.00 C ATOM 1196 C CYS A 78 12.749 2.150 -0.695 1.00 0.00 C ATOM 1197 O CYS A 78 12.164 2.089 0.384 1.00 0.00 O ATOM 1198 CB CYS A 78 12.351 -0.246 -1.378 1.00 0.00 C ATOM 1199 SG CYS A 78 10.895 0.061 -2.434 1.00 0.00 S ATOM 0 H CYS A 78 14.379 -0.327 0.038 1.00 0.00 H new ATOM 0 HA CYS A 78 13.673 1.126 -2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 78 12.859 -1.140 -1.738 1.00 0.00 H new ATOM 0 HB3 CYS A 78 12.008 -0.460 -0.366 1.00 0.00 H new ATOM 1204 N CYS A 79 12.921 3.283 -1.353 1.00 0.00 N ATOM 1205 CA CYS A 79 12.502 4.560 -0.800 1.00 0.00 C ATOM 1206 C CYS A 79 11.236 5.052 -1.462 1.00 0.00 C ATOM 1207 O CYS A 79 11.058 4.910 -2.674 1.00 0.00 O ATOM 1208 CB CYS A 79 13.615 5.592 -0.956 1.00 0.00 C ATOM 1209 SG CYS A 79 13.160 7.293 -0.484 1.00 0.00 S ATOM 0 H CYS A 79 13.350 3.345 -2.276 1.00 0.00 H new ATOM 0 HA CYS A 79 12.295 4.418 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 79 14.467 5.279 -0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 79 13.944 5.595 -1.995 1.00 0.00 H new ATOM 1214 N LYS A 80 10.365 5.638 -0.662 1.00 0.00 N ATOM 1215 CA LYS A 80 9.097 6.119 -1.161 1.00 0.00 C ATOM 1216 C LYS A 80 9.240 7.554 -1.634 1.00 0.00 C ATOM 1217 O LYS A 80 9.124 8.490 -0.841 1.00 0.00 O ATOM 1218 CB LYS A 80 8.035 6.025 -0.065 1.00 0.00 C ATOM 1219 CG LYS A 80 6.618 5.961 -0.605 1.00 0.00 C ATOM 1220 CD LYS A 80 5.597 5.640 0.476 1.00 0.00 C ATOM 1221 CE LYS A 80 5.236 6.854 1.309 1.00 0.00 C ATOM 1222 NZ LYS A 80 6.376 7.357 2.125 1.00 0.00 N ATOM 0 H LYS A 80 10.515 5.791 0.335 1.00 0.00 H new ATOM 0 HA LYS A 80 8.786 5.501 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.226 5.139 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.126 6.888 0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.365 6.915 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.564 5.204 -1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.695 5.239 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.994 4.861 1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.888 7.650 0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.406 6.602 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.020 7.721 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.045 6.581 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.860 8.121 1.611 1.00 0.00 H new ATOM 1236 N GLU A 81 9.462 7.699 -2.935 1.00 0.00 N ATOM 1237 CA GLU A 81 9.642 8.998 -3.579 1.00 0.00 C ATOM 1238 C GLU A 81 10.832 9.769 -3.026 1.00 0.00 C ATOM 1239 O GLU A 81 10.887 10.136 -1.852 1.00 0.00 O ATOM 1240 CB GLU A 81 8.376 9.837 -3.494 1.00 0.00 C ATOM 1241 CG GLU A 81 7.313 9.390 -4.473 1.00 0.00 C ATOM 1242 CD GLU A 81 7.790 9.444 -5.909 1.00 0.00 C ATOM 1243 OE1 GLU A 81 7.654 10.511 -6.545 1.00 0.00 O ATOM 1244 OE2 GLU A 81 8.303 8.426 -6.415 1.00 0.00 O ATOM 0 H GLU A 81 9.523 6.911 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 81 9.854 8.792 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.977 9.784 -2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.624 10.881 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.007 8.372 -4.233 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.432 10.022 -4.362 1.00 0.00 H new ATOM 1251 N ILE A 82 11.771 10.026 -3.905 1.00 0.00 N ATOM 1252 CA ILE A 82 12.982 10.751 -3.558 1.00 0.00 C ATOM 1253 C ILE A 82 12.733 12.249 -3.650 1.00 0.00 C ATOM 1254 O ILE A 82 12.942 12.960 -2.644 1.00 0.00 O ATOM 1255 CB ILE A 82 14.152 10.371 -4.489 1.00 0.00 C ATOM 1256 CG1 ILE A 82 14.347 8.852 -4.502 1.00 0.00 C ATOM 1257 CG2 ILE A 82 15.433 11.071 -4.048 1.00 0.00 C ATOM 1258 CD1 ILE A 82 15.372 8.379 -5.509 1.00 0.00 C ATOM 1259 OXT ILE A 82 12.290 12.709 -4.723 1.00 0.00 O ATOM 0 H ILE A 82 11.722 9.741 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 82 13.252 10.480 -2.537 1.00 0.00 H new ATOM 0 HB ILE A 82 13.913 10.699 -5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 82 14.650 8.525 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 82 13.391 8.374 -4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 82 16.248 10.792 -4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 82 15.288 12.151 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 82 15.679 10.771 -3.029 1.00 0.00 H new ATOM 0 HD11 ILE A 82 15.456 7.293 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 82 15.061 8.674 -6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 82 16.339 8.828 -5.282 1.00 0.00 H new TER 1271 ILE A 82