USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 372 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 2 HIS : no HD1:sc= -10.1! C(o=-10!,f=-8.3!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -90:sc= -0.378 USER MOD Single : A 9 ASN : amide:sc= -2.78! C(o=-2.8!,f=-7.2!) USER MOD Single : A 15 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.08) USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= -0.213 (180deg=-0.79) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -6.84! C(o=-6.8!,f=-7.9!) USER MOD Single : A 35 ASN : amide:sc= -2.52 X(o=-2.5,f=-2.2) USER MOD Single : A 36 MET CE :methyl -160:sc= -1.6 (180deg=-2.71!) USER MOD Single : A 43 HIS : no HE2:sc= -18! C(o=-18!,f=-16!) USER MOD Single : A 49 TYR OH : rot 123:sc= -4.76! USER MOD Single : A 50 SER OG : rot 56:sc= 0.183 USER MOD Single : A 51 ASN : amide:sc= -0.484 K(o=-0.48,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 2 6.722 -1.596 -6.376 1.00 0.00 N ATOM 14 CA HIS A 2 7.556 -1.947 -5.242 1.00 0.00 C ATOM 15 C HIS A 2 7.304 -3.373 -4.792 1.00 0.00 C ATOM 16 O HIS A 2 6.925 -4.240 -5.580 1.00 0.00 O ATOM 17 CB HIS A 2 7.340 -0.963 -4.094 1.00 0.00 C ATOM 18 CG HIS A 2 8.580 -0.761 -3.273 1.00 0.00 C ATOM 19 ND1 HIS A 2 9.849 -0.752 -3.816 1.00 0.00 N ATOM 20 CD2 HIS A 2 8.743 -0.583 -1.941 1.00 0.00 C ATOM 21 CE1 HIS A 2 10.737 -0.581 -2.853 1.00 0.00 C ATOM 22 NE2 HIS A 2 10.091 -0.475 -1.707 1.00 0.00 N ATOM 0 HA HIS A 2 8.598 -1.883 -5.557 1.00 0.00 H new ATOM 0 HB2 HIS A 2 7.014 -0.004 -4.497 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.538 -1.328 -3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 2 7.958 -0.535 -1.200 1.00 0.00 H new ATOM 0 HE1 HIS A 2 11.808 -0.536 -2.982 1.00 0.00 H new ATOM 0 HE2 HIS A 2 10.524 -0.335 -0.794 1.00 0.00 H new ATOM 31 N MET A 3 7.554 -3.597 -3.529 1.00 0.00 N ATOM 32 CA MET A 3 7.406 -4.919 -2.922 1.00 0.00 C ATOM 33 C MET A 3 5.937 -5.346 -2.843 1.00 0.00 C ATOM 34 O MET A 3 5.100 -4.839 -3.588 1.00 0.00 O ATOM 35 CB MET A 3 8.035 -4.919 -1.525 1.00 0.00 C ATOM 36 CG MET A 3 8.944 -6.110 -1.267 1.00 0.00 C ATOM 37 SD MET A 3 10.300 -6.218 -2.451 1.00 0.00 S ATOM 38 CE MET A 3 11.711 -6.230 -1.348 1.00 0.00 C ATOM 0 H MET A 3 7.867 -2.875 -2.880 1.00 0.00 H new ATOM 0 HA MET A 3 7.922 -5.641 -3.555 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.607 -4.001 -1.393 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.241 -4.910 -0.778 1.00 0.00 H new ATOM 0 HG2 MET A 3 9.352 -6.039 -0.259 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.356 -7.027 -1.309 1.00 0.00 H new ATOM 0 HE1 MET A 3 12.629 -6.294 -1.932 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.719 -5.314 -0.758 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.645 -7.090 -0.682 1.00 0.00 H new ATOM 48 N ASP A 4 5.648 -6.300 -1.946 1.00 0.00 N ATOM 49 CA ASP A 4 4.293 -6.843 -1.753 1.00 0.00 C ATOM 50 C ASP A 4 3.207 -5.919 -2.298 1.00 0.00 C ATOM 51 O ASP A 4 3.201 -4.724 -2.016 1.00 0.00 O ATOM 52 CB ASP A 4 4.043 -7.106 -0.266 1.00 0.00 C ATOM 53 CG ASP A 4 5.016 -8.112 0.316 1.00 0.00 C ATOM 54 OD1 ASP A 4 5.417 -9.041 -0.416 1.00 0.00 O ATOM 55 OD2 ASP A 4 5.376 -7.971 1.503 1.00 0.00 O ATOM 0 H ASP A 4 6.347 -6.718 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 4 4.240 -7.776 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.122 -6.168 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.024 -7.470 -0.131 1.00 0.00 H new ATOM 60 N CYS A 5 2.296 -6.492 -3.085 1.00 0.00 N ATOM 61 CA CYS A 5 1.202 -5.733 -3.685 1.00 0.00 C ATOM 62 C CYS A 5 0.070 -6.678 -4.105 1.00 0.00 C ATOM 63 O CYS A 5 0.313 -7.713 -4.725 1.00 0.00 O ATOM 64 CB CYS A 5 1.745 -4.914 -4.873 1.00 0.00 C ATOM 65 SG CYS A 5 0.565 -4.551 -6.222 1.00 0.00 S ATOM 0 H CYS A 5 2.296 -7.484 -3.322 1.00 0.00 H new ATOM 0 HA CYS A 5 0.785 -5.038 -2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 5 2.126 -3.968 -4.489 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.594 -5.450 -5.297 1.00 0.00 H new ATOM 70 N THR A 6 -1.164 -6.312 -3.746 1.00 0.00 N ATOM 71 CA THR A 6 -2.357 -7.107 -4.059 1.00 0.00 C ATOM 72 C THR A 6 -2.269 -7.808 -5.427 1.00 0.00 C ATOM 73 O THR A 6 -2.856 -8.869 -5.603 1.00 0.00 O ATOM 74 CB THR A 6 -3.587 -6.199 -4.033 1.00 0.00 C ATOM 75 OG1 THR A 6 -3.701 -5.545 -2.783 1.00 0.00 O ATOM 76 CG2 THR A 6 -4.882 -6.934 -4.285 1.00 0.00 C ATOM 0 H THR A 6 -1.365 -5.456 -3.230 1.00 0.00 H new ATOM 0 HA THR A 6 -2.433 -7.888 -3.303 1.00 0.00 H new ATOM 0 HB THR A 6 -3.433 -5.484 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.239 -6.093 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.713 -6.229 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.847 -7.408 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.023 -7.696 -3.519 1.00 0.00 H new ATOM 84 N GLU A 7 -1.554 -7.203 -6.395 1.00 0.00 N ATOM 85 CA GLU A 7 -1.417 -7.755 -7.752 1.00 0.00 C ATOM 86 C GLU A 7 -1.756 -9.246 -7.849 1.00 0.00 C ATOM 87 O GLU A 7 -0.876 -10.104 -7.814 1.00 0.00 O ATOM 88 CB GLU A 7 0.007 -7.524 -8.263 1.00 0.00 C ATOM 89 CG GLU A 7 0.067 -7.073 -9.714 1.00 0.00 C ATOM 90 CD GLU A 7 0.832 -8.041 -10.596 1.00 0.00 C ATOM 91 OE1 GLU A 7 0.425 -9.219 -10.677 1.00 0.00 O ATOM 92 OE2 GLU A 7 1.839 -7.622 -11.205 1.00 0.00 O ATOM 0 H GLU A 7 -1.058 -6.322 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.143 -7.228 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.491 -6.774 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.577 -8.446 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.947 -6.962 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.537 -6.091 -9.766 1.00 0.00 H new ATOM 99 N PHE A 8 -3.048 -9.528 -8.010 1.00 0.00 N ATOM 100 CA PHE A 8 -3.543 -10.894 -8.162 1.00 0.00 C ATOM 101 C PHE A 8 -4.932 -10.878 -8.800 1.00 0.00 C ATOM 102 O PHE A 8 -5.182 -10.086 -9.710 1.00 0.00 O ATOM 103 CB PHE A 8 -3.516 -11.664 -6.829 1.00 0.00 C ATOM 104 CG PHE A 8 -4.484 -11.197 -5.777 1.00 0.00 C ATOM 105 CD1 PHE A 8 -5.148 -9.989 -5.891 1.00 0.00 C ATOM 106 CD2 PHE A 8 -4.715 -11.979 -4.655 1.00 0.00 C ATOM 107 CE1 PHE A 8 -6.021 -9.571 -4.908 1.00 0.00 C ATOM 108 CE2 PHE A 8 -5.587 -11.564 -3.669 1.00 0.00 C ATOM 109 CZ PHE A 8 -6.241 -10.358 -3.795 1.00 0.00 C ATOM 0 H PHE A 8 -3.779 -8.817 -8.039 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.874 -11.434 -8.832 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.715 -12.716 -7.036 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.508 -11.605 -6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.981 -9.367 -6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.206 -12.926 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.534 -8.626 -5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.756 -12.183 -2.801 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.924 -10.029 -3.026 1.00 0.00 H new ATOM 119 N ASN A 9 -5.826 -11.752 -8.361 1.00 0.00 N ATOM 120 CA ASN A 9 -7.161 -11.814 -8.946 1.00 0.00 C ATOM 121 C ASN A 9 -7.999 -10.572 -8.597 1.00 0.00 C ATOM 122 O ASN A 9 -8.208 -9.718 -9.458 1.00 0.00 O ATOM 123 CB ASN A 9 -7.895 -13.110 -8.557 1.00 0.00 C ATOM 124 CG ASN A 9 -7.167 -13.951 -7.517 1.00 0.00 C ATOM 125 OD1 ASN A 9 -5.947 -14.109 -7.568 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.919 -14.505 -6.571 1.00 0.00 N ATOM 0 H ASN A 9 -5.656 -12.422 -7.611 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.030 -11.824 -10.028 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.883 -12.854 -8.174 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.047 -13.712 -9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.488 -15.086 -5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.927 -14.349 -6.564 1.00 0.00 H new ATOM 133 N PRO A 10 -8.506 -10.437 -7.352 1.00 0.00 N ATOM 134 CA PRO A 10 -9.319 -9.279 -6.963 1.00 0.00 C ATOM 135 C PRO A 10 -8.483 -8.104 -6.458 1.00 0.00 C ATOM 136 O PRO A 10 -8.215 -8.005 -5.263 1.00 0.00 O ATOM 137 CB PRO A 10 -10.153 -9.850 -5.824 1.00 0.00 C ATOM 138 CG PRO A 10 -9.221 -10.789 -5.140 1.00 0.00 C ATOM 139 CD PRO A 10 -8.350 -11.383 -6.224 1.00 0.00 C ATOM 0 HA PRO A 10 -9.888 -8.873 -7.799 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.499 -9.067 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.039 -10.365 -6.196 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.617 -10.267 -4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.771 -11.568 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.310 -11.460 -5.906 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.676 -12.387 -6.495 1.00 0.00 H new ATOM 147 N LEU A 11 -8.083 -7.212 -7.371 1.00 0.00 N ATOM 148 CA LEU A 11 -7.275 -6.035 -7.018 1.00 0.00 C ATOM 149 C LEU A 11 -7.734 -5.401 -5.711 1.00 0.00 C ATOM 150 O LEU A 11 -8.781 -5.765 -5.187 1.00 0.00 O ATOM 151 CB LEU A 11 -7.318 -5.003 -8.146 1.00 0.00 C ATOM 152 CG LEU A 11 -6.206 -5.134 -9.189 1.00 0.00 C ATOM 153 CD1 LEU A 11 -6.160 -6.549 -9.748 1.00 0.00 C ATOM 154 CD2 LEU A 11 -6.405 -4.124 -10.309 1.00 0.00 C ATOM 0 H LEU A 11 -8.306 -7.282 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.249 -6.374 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.280 -5.081 -8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.268 -4.006 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.253 -4.927 -8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.363 -6.622 -10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.970 -7.254 -8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.114 -6.786 -10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.605 -4.231 -11.042 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.366 -4.301 -10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.386 -3.115 -9.897 1.00 0.00 H new ATOM 166 N CYS A 12 -6.923 -4.464 -5.187 1.00 0.00 N ATOM 167 CA CYS A 12 -7.200 -3.779 -3.919 1.00 0.00 C ATOM 168 C CYS A 12 -8.655 -3.874 -3.488 1.00 0.00 C ATOM 169 O CYS A 12 -9.348 -2.870 -3.318 1.00 0.00 O ATOM 170 CB CYS A 12 -6.788 -2.321 -4.013 1.00 0.00 C ATOM 171 SG CYS A 12 -7.804 -1.322 -5.153 1.00 0.00 S ATOM 0 H CYS A 12 -6.057 -4.163 -5.634 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.611 -4.290 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.837 -1.877 -3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.747 -2.270 -4.334 1.00 0.00 H new ATOM 176 N ARG A 13 -9.097 -5.100 -3.295 1.00 0.00 N ATOM 177 CA ARG A 13 -10.460 -5.368 -2.862 1.00 0.00 C ATOM 178 C ARG A 13 -10.518 -5.449 -1.340 1.00 0.00 C ATOM 179 O ARG A 13 -11.218 -6.287 -0.773 1.00 0.00 O ATOM 180 CB ARG A 13 -10.972 -6.668 -3.491 1.00 0.00 C ATOM 181 CG ARG A 13 -12.112 -6.460 -4.477 1.00 0.00 C ATOM 182 CD ARG A 13 -11.745 -5.452 -5.558 1.00 0.00 C ATOM 183 NE ARG A 13 -11.505 -6.096 -6.849 1.00 0.00 N ATOM 184 CZ ARG A 13 -12.469 -6.427 -7.706 1.00 0.00 C ATOM 185 NH1 ARG A 13 -13.740 -6.189 -7.411 1.00 0.00 N ATOM 186 NH2 ARG A 13 -12.160 -7.002 -8.860 1.00 0.00 N ATOM 0 H ARG A 13 -8.529 -5.936 -3.432 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.103 -4.552 -3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.147 -7.164 -4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.306 -7.338 -2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.371 -7.412 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.997 -6.114 -3.943 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.548 -4.722 -5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.853 -4.904 -5.255 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.541 -6.304 -7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.984 -5.750 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.474 -6.445 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.185 -7.191 -9.091 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.898 -7.256 -9.517 1.00 0.00 H new ATOM 200 N CYS A 14 -9.769 -4.564 -0.688 1.00 0.00 N ATOM 201 CA CYS A 14 -9.717 -4.520 0.763 1.00 0.00 C ATOM 202 C CYS A 14 -10.007 -3.109 1.271 1.00 0.00 C ATOM 203 O CYS A 14 -9.244 -2.172 1.039 1.00 0.00 O ATOM 204 CB CYS A 14 -8.354 -5.036 1.262 1.00 0.00 C ATOM 205 SG CYS A 14 -7.086 -3.760 1.604 1.00 0.00 S ATOM 0 H CYS A 14 -9.187 -3.865 -1.149 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.490 -5.175 1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.517 -5.610 2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.955 -5.726 0.518 1.00 0.00 H new ATOM 210 N ASN A 15 -11.128 -2.972 1.955 1.00 0.00 N ATOM 211 CA ASN A 15 -11.543 -1.684 2.502 1.00 0.00 C ATOM 212 C ASN A 15 -10.856 -1.422 3.828 1.00 0.00 C ATOM 213 O ASN A 15 -10.334 -0.334 4.047 1.00 0.00 O ATOM 214 CB ASN A 15 -13.059 -1.648 2.700 1.00 0.00 C ATOM 215 CG ASN A 15 -13.725 -0.555 1.888 1.00 0.00 C ATOM 216 OD1 ASN A 15 -14.779 -0.766 1.287 1.00 0.00 O ATOM 217 ND2 ASN A 15 -13.112 0.623 1.864 1.00 0.00 N ATOM 0 H ASN A 15 -11.773 -3.738 2.148 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.256 -0.909 1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.482 -2.613 2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.281 -1.497 3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.513 1.396 1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.240 0.755 2.376 1.00 0.00 H new ATOM 224 N LYS A 16 -10.883 -2.436 4.700 1.00 0.00 N ATOM 225 CA LYS A 16 -10.290 -2.384 6.044 1.00 0.00 C ATOM 226 C LYS A 16 -9.252 -1.276 6.192 1.00 0.00 C ATOM 227 O LYS A 16 -8.091 -1.525 6.514 1.00 0.00 O ATOM 228 CB LYS A 16 -9.659 -3.734 6.389 1.00 0.00 C ATOM 229 CG LYS A 16 -8.420 -4.058 5.567 1.00 0.00 C ATOM 230 CD LYS A 16 -8.557 -5.390 4.849 1.00 0.00 C ATOM 231 CE LYS A 16 -8.264 -6.556 5.778 1.00 0.00 C ATOM 232 NZ LYS A 16 -9.432 -6.889 6.639 1.00 0.00 N ATOM 0 H LYS A 16 -11.324 -3.331 4.490 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.099 -2.159 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.395 -3.742 7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.399 -4.520 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.250 -3.267 4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.547 -4.084 6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.566 -5.487 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.874 -5.419 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.988 -7.430 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.408 -6.312 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.324 -7.854 7.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.484 -6.215 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.305 -6.831 6.077 1.00 0.00 H new ATOM 246 N MET A 17 -9.692 -0.053 5.950 1.00 0.00 N ATOM 247 CA MET A 17 -8.820 1.119 6.045 1.00 0.00 C ATOM 248 C MET A 17 -8.576 1.514 7.493 1.00 0.00 C ATOM 249 O MET A 17 -8.740 2.670 7.886 1.00 0.00 O ATOM 250 CB MET A 17 -9.433 2.283 5.293 1.00 0.00 C ATOM 251 CG MET A 17 -8.461 3.003 4.373 1.00 0.00 C ATOM 252 SD MET A 17 -9.288 3.841 3.007 1.00 0.00 S ATOM 253 CE MET A 17 -9.380 5.514 3.640 1.00 0.00 C ATOM 0 H MET A 17 -10.653 0.161 5.684 1.00 0.00 H new ATOM 0 HA MET A 17 -7.860 0.859 5.598 1.00 0.00 H new ATOM 0 HB2 MET A 17 -10.274 1.919 4.703 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.833 2.997 6.013 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.893 3.732 4.950 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.745 2.285 3.973 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.868 6.155 2.906 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.954 5.521 4.567 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.374 5.886 3.833 1.00 0.00 H new ATOM 263 N LEU A 18 -8.179 0.537 8.270 1.00 0.00 N ATOM 264 CA LEU A 18 -7.892 0.730 9.684 1.00 0.00 C ATOM 265 C LEU A 18 -7.231 -0.510 10.277 1.00 0.00 C ATOM 266 O LEU A 18 -7.808 -1.186 11.130 1.00 0.00 O ATOM 267 CB LEU A 18 -9.183 1.048 10.439 1.00 0.00 C ATOM 268 CG LEU A 18 -10.229 -0.069 10.432 1.00 0.00 C ATOM 269 CD1 LEU A 18 -10.765 -0.311 11.836 1.00 0.00 C ATOM 270 CD2 LEU A 18 -11.365 0.269 9.479 1.00 0.00 C ATOM 0 H LEU A 18 -8.043 -0.421 7.946 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.202 1.567 9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.932 1.284 11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.628 1.944 10.006 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.749 -0.984 10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.507 -1.109 11.810 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.945 -0.600 12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.227 0.602 12.212 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.099 -0.537 9.487 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.841 1.197 9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.970 0.389 8.470 1.00 0.00 H new ATOM 282 N GLY A 19 -6.018 -0.812 9.821 1.00 0.00 N ATOM 283 CA GLY A 19 -5.311 -1.977 10.324 1.00 0.00 C ATOM 284 C GLY A 19 -3.803 -1.814 10.304 1.00 0.00 C ATOM 285 O GLY A 19 -3.242 -1.065 11.104 1.00 0.00 O ATOM 0 H GLY A 19 -5.514 -0.274 9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.635 -2.178 11.345 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.584 -2.846 9.726 1.00 0.00 H new ATOM 289 N ASP A 20 -3.146 -2.528 9.395 1.00 0.00 N ATOM 290 CA ASP A 20 -1.694 -2.477 9.273 1.00 0.00 C ATOM 291 C ASP A 20 -1.196 -1.047 9.117 1.00 0.00 C ATOM 292 O ASP A 20 -1.979 -0.098 9.079 1.00 0.00 O ATOM 293 CB ASP A 20 -1.230 -3.315 8.081 1.00 0.00 C ATOM 294 CG ASP A 20 -1.941 -4.651 7.991 1.00 0.00 C ATOM 295 OD1 ASP A 20 -3.041 -4.700 7.402 1.00 0.00 O ATOM 296 OD2 ASP A 20 -1.397 -5.651 8.508 1.00 0.00 O ATOM 0 H ASP A 20 -3.600 -3.152 8.728 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.274 -2.887 10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.400 -2.755 7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.156 -3.484 8.158 1.00 0.00 H new ATOM 301 N LEU A 21 0.121 -0.909 9.028 1.00 0.00 N ATOM 302 CA LEU A 21 0.753 0.397 8.875 1.00 0.00 C ATOM 303 C LEU A 21 1.886 0.332 7.857 1.00 0.00 C ATOM 304 O LEU A 21 3.011 -0.045 8.186 1.00 0.00 O ATOM 305 CB LEU A 21 1.285 0.889 10.222 1.00 0.00 C ATOM 306 CG LEU A 21 2.152 2.148 10.154 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.444 3.241 9.370 1.00 0.00 C ATOM 308 CD2 LEU A 21 2.501 2.630 11.553 1.00 0.00 C ATOM 0 H LEU A 21 0.776 -1.690 9.059 1.00 0.00 H new ATOM 0 HA LEU A 21 0.003 1.100 8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.439 1.084 10.881 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.867 0.089 10.680 1.00 0.00 H new ATOM 0 HG LEU A 21 3.079 1.902 9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.075 4.129 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.247 2.892 8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.501 3.487 9.859 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.118 3.526 11.486 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.585 2.860 12.098 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.050 1.850 12.080 1.00 0.00 H new ATOM 320 N ILE A 22 1.579 0.704 6.621 1.00 0.00 N ATOM 321 CA ILE A 22 2.565 0.691 5.551 1.00 0.00 C ATOM 322 C ILE A 22 3.293 2.028 5.450 1.00 0.00 C ATOM 323 O ILE A 22 2.748 3.075 5.797 1.00 0.00 O ATOM 324 CB ILE A 22 1.913 0.349 4.188 1.00 0.00 C ATOM 325 CG1 ILE A 22 2.830 0.691 3.029 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.593 1.068 4.013 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.679 2.115 2.532 1.00 0.00 C ATOM 0 H ILE A 22 0.652 1.019 6.335 1.00 0.00 H new ATOM 0 HA ILE A 22 3.290 -0.085 5.797 1.00 0.00 H new ATOM 0 HB ILE A 22 1.734 -0.726 4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.864 0.530 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.631 0.005 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.162 0.807 3.047 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.091 0.771 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.756 2.145 4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.366 2.286 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.655 2.276 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.907 2.809 3.341 1.00 0.00 H new ATOM 339 N CYS A 23 4.523 1.975 4.954 1.00 0.00 N ATOM 340 CA CYS A 23 5.334 3.178 4.779 1.00 0.00 C ATOM 341 C CYS A 23 5.633 3.386 3.302 1.00 0.00 C ATOM 342 O CYS A 23 6.612 2.855 2.780 1.00 0.00 O ATOM 343 CB CYS A 23 6.645 3.067 5.559 1.00 0.00 C ATOM 344 SG CYS A 23 6.456 2.431 7.254 1.00 0.00 S ATOM 0 H CYS A 23 4.983 1.112 4.665 1.00 0.00 H new ATOM 0 HA CYS A 23 4.774 4.031 5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.325 2.414 5.012 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.113 4.051 5.602 1.00 0.00 H new ATOM 349 N ALA A 24 4.770 4.133 2.621 1.00 0.00 N ATOM 350 CA ALA A 24 4.946 4.360 1.195 1.00 0.00 C ATOM 351 C ALA A 24 5.682 5.658 0.891 1.00 0.00 C ATOM 352 O ALA A 24 5.571 6.645 1.618 1.00 0.00 O ATOM 353 CB ALA A 24 3.605 4.363 0.480 1.00 0.00 C ATOM 0 H ALA A 24 3.952 4.586 3.029 1.00 0.00 H new ATOM 0 HA ALA A 24 5.559 3.537 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.761 4.534 -0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.113 3.401 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.977 5.156 0.887 1.00 0.00 H new ATOM 359 N VAL A 25 6.421 5.635 -0.209 1.00 0.00 N ATOM 360 CA VAL A 25 7.181 6.778 -0.670 1.00 0.00 C ATOM 361 C VAL A 25 7.153 6.869 -2.191 1.00 0.00 C ATOM 362 O VAL A 25 7.026 5.852 -2.891 1.00 0.00 O ATOM 363 CB VAL A 25 8.636 6.699 -0.182 1.00 0.00 C ATOM 364 CG1 VAL A 25 9.412 5.629 -0.935 1.00 0.00 C ATOM 365 CG2 VAL A 25 9.318 8.053 -0.304 1.00 0.00 C ATOM 0 H VAL A 25 6.508 4.814 -0.808 1.00 0.00 H new ATOM 0 HA VAL A 25 6.718 7.673 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 25 8.622 6.418 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.438 5.597 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.940 4.659 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.415 5.863 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.347 7.975 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.313 8.370 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.783 8.786 0.301 1.00 0.00 H new ATOM 375 N ILE A 26 7.264 8.092 -2.694 1.00 0.00 N ATOM 376 CA ILE A 26 7.254 8.327 -4.136 1.00 0.00 C ATOM 377 C ILE A 26 8.119 9.525 -4.519 1.00 0.00 C ATOM 378 O ILE A 26 7.633 10.652 -4.611 1.00 0.00 O ATOM 379 CB ILE A 26 5.831 8.551 -4.694 1.00 0.00 C ATOM 380 CG1 ILE A 26 4.836 8.886 -3.571 1.00 0.00 C ATOM 381 CG2 ILE A 26 5.377 7.336 -5.492 1.00 0.00 C ATOM 382 CD1 ILE A 26 4.426 7.702 -2.718 1.00 0.00 C ATOM 0 H ILE A 26 7.362 8.935 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 26 7.664 7.419 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 26 5.860 9.409 -5.366 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.278 9.646 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.942 9.325 -4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.373 7.509 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.062 7.170 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.371 6.458 -4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.723 8.031 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.951 6.948 -3.346 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.308 7.274 -2.241 1.00 0.00 H new ATOM 394 N GLY A 27 9.399 9.263 -4.749 1.00 0.00 N ATOM 395 CA GLY A 27 10.335 10.304 -5.137 1.00 0.00 C ATOM 396 C GLY A 27 10.612 11.281 -4.019 1.00 0.00 C ATOM 397 O GLY A 27 11.758 11.463 -3.607 1.00 0.00 O ATOM 0 H GLY A 27 9.812 8.333 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.272 9.846 -5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.937 10.844 -5.996 1.00 0.00 H new ATOM 401 N ASP A 28 9.556 11.907 -3.533 1.00 0.00 N ATOM 402 CA ASP A 28 9.665 12.874 -2.452 1.00 0.00 C ATOM 403 C ASP A 28 8.375 12.922 -1.646 1.00 0.00 C ATOM 404 O ASP A 28 8.078 13.924 -0.995 1.00 0.00 O ATOM 405 CB ASP A 28 9.986 14.262 -3.010 1.00 0.00 C ATOM 406 CG ASP A 28 11.113 14.234 -4.023 1.00 0.00 C ATOM 407 OD1 ASP A 28 10.880 13.765 -5.157 1.00 0.00 O ATOM 408 OD2 ASP A 28 12.227 14.682 -3.684 1.00 0.00 O ATOM 0 H ASP A 28 8.605 11.762 -3.872 1.00 0.00 H new ATOM 0 HA ASP A 28 10.476 12.562 -1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.093 14.678 -3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.256 14.926 -2.189 1.00 0.00 H new ATOM 413 N ALA A 29 7.610 11.834 -1.688 1.00 0.00 N ATOM 414 CA ALA A 29 6.359 11.767 -0.949 1.00 0.00 C ATOM 415 C ALA A 29 6.329 10.526 -0.073 1.00 0.00 C ATOM 416 O ALA A 29 5.699 9.526 -0.413 1.00 0.00 O ATOM 417 CB ALA A 29 5.172 11.786 -1.903 1.00 0.00 C ATOM 0 H ALA A 29 7.835 10.995 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 29 6.289 12.643 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.245 11.735 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.189 12.707 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.231 10.930 -2.575 1.00 0.00 H new ATOM 423 N LYS A 30 7.027 10.599 1.055 1.00 0.00 N ATOM 424 CA LYS A 30 7.098 9.484 1.987 1.00 0.00 C ATOM 425 C LYS A 30 6.069 9.642 3.102 1.00 0.00 C ATOM 426 O LYS A 30 6.275 10.406 4.045 1.00 0.00 O ATOM 427 CB LYS A 30 8.502 9.387 2.588 1.00 0.00 C ATOM 428 CG LYS A 30 8.700 8.177 3.484 1.00 0.00 C ATOM 429 CD LYS A 30 10.164 7.989 3.850 1.00 0.00 C ATOM 430 CE LYS A 30 10.717 9.201 4.580 1.00 0.00 C ATOM 431 NZ LYS A 30 12.177 9.075 4.845 1.00 0.00 N ATOM 0 H LYS A 30 7.553 11.423 1.345 1.00 0.00 H new ATOM 0 HA LYS A 30 6.878 8.568 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.232 9.353 1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.705 10.291 3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.109 8.295 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.333 7.284 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.272 7.105 4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.746 7.811 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.532 10.097 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.187 9.329 5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.514 9.923 5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.352 8.235 5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.686 8.979 3.943 1.00 0.00 H new ATOM 445 N GLU A 31 4.964 8.914 2.991 1.00 0.00 N ATOM 446 CA GLU A 31 3.907 8.974 3.994 1.00 0.00 C ATOM 447 C GLU A 31 3.351 7.582 4.275 1.00 0.00 C ATOM 448 O GLU A 31 3.288 6.738 3.381 1.00 0.00 O ATOM 449 CB GLU A 31 2.784 9.903 3.528 1.00 0.00 C ATOM 450 CG GLU A 31 2.327 10.885 4.595 1.00 0.00 C ATOM 451 CD GLU A 31 0.893 11.338 4.396 1.00 0.00 C ATOM 452 OE1 GLU A 31 0.524 11.652 3.244 1.00 0.00 O ATOM 453 OE2 GLU A 31 0.139 11.378 5.391 1.00 0.00 O ATOM 0 H GLU A 31 4.777 8.276 2.218 1.00 0.00 H new ATOM 0 HA GLU A 31 4.333 9.370 4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.123 10.460 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.933 9.300 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.424 10.421 5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.983 11.755 4.587 1.00 0.00 H new ATOM 460 N GLU A 32 2.949 7.346 5.520 1.00 0.00 N ATOM 461 CA GLU A 32 2.400 6.051 5.905 1.00 0.00 C ATOM 462 C GLU A 32 1.036 5.831 5.279 1.00 0.00 C ATOM 463 O GLU A 32 0.435 6.750 4.723 1.00 0.00 O ATOM 464 CB GLU A 32 2.262 5.939 7.420 1.00 0.00 C ATOM 465 CG GLU A 32 3.485 6.413 8.187 1.00 0.00 C ATOM 466 CD GLU A 32 3.124 7.233 9.410 1.00 0.00 C ATOM 467 OE1 GLU A 32 2.185 8.051 9.319 1.00 0.00 O ATOM 468 OE2 GLU A 32 3.780 7.057 10.458 1.00 0.00 O ATOM 0 H GLU A 32 2.993 8.030 6.275 1.00 0.00 H new ATOM 0 HA GLU A 32 3.095 5.292 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.397 6.520 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.062 4.900 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.074 5.549 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.115 7.010 7.527 1.00 0.00 H new ATOM 475 N HIS A 33 0.550 4.606 5.390 1.00 0.00 N ATOM 476 CA HIS A 33 -0.754 4.259 4.852 1.00 0.00 C ATOM 477 C HIS A 33 -1.297 2.995 5.502 1.00 0.00 C ATOM 478 O HIS A 33 -0.559 2.231 6.122 1.00 0.00 O ATOM 479 CB HIS A 33 -0.673 4.076 3.337 1.00 0.00 C ATOM 480 CG HIS A 33 -1.711 4.853 2.591 1.00 0.00 C ATOM 481 ND1 HIS A 33 -3.029 4.455 2.501 1.00 0.00 N ATOM 482 CD2 HIS A 33 -1.622 6.013 1.899 1.00 0.00 C ATOM 483 CE1 HIS A 33 -3.704 5.337 1.787 1.00 0.00 C ATOM 484 NE2 HIS A 33 -2.875 6.293 1.412 1.00 0.00 N ATOM 0 H HIS A 33 1.038 3.836 5.847 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.438 5.078 5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.316 4.381 2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.781 3.018 3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.732 6.607 1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.756 5.285 1.550 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.125 7.108 0.851 1.00 0.00 H new ATOM 493 N ARG A 34 -2.595 2.782 5.352 1.00 0.00 N ATOM 494 CA ARG A 34 -3.252 1.606 5.911 1.00 0.00 C ATOM 495 C ARG A 34 -3.797 0.717 4.802 1.00 0.00 C ATOM 496 O ARG A 34 -3.586 -0.496 4.808 1.00 0.00 O ATOM 497 CB ARG A 34 -4.385 2.014 6.842 1.00 0.00 C ATOM 498 CG ARG A 34 -3.965 2.999 7.922 1.00 0.00 C ATOM 499 CD ARG A 34 -4.604 2.670 9.263 1.00 0.00 C ATOM 500 NE ARG A 34 -3.611 2.550 10.328 1.00 0.00 N ATOM 501 CZ ARG A 34 -3.058 3.590 10.947 1.00 0.00 C ATOM 502 NH1 ARG A 34 -3.395 4.829 10.609 1.00 0.00 N ATOM 503 NH2 ARG A 34 -2.163 3.392 11.906 1.00 0.00 N ATOM 0 H ARG A 34 -3.219 3.410 4.846 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.509 1.047 6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.187 2.456 6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.793 1.121 7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.880 2.987 8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.246 4.009 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.322 3.448 9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.161 1.737 9.180 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.325 1.614 10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.081 4.988 9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.968 5.622 11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.899 2.443 12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.739 4.189 12.380 1.00 0.00 H new ATOM 517 N ASN A 35 -4.489 1.325 3.841 1.00 0.00 N ATOM 518 CA ASN A 35 -5.047 0.576 2.721 1.00 0.00 C ATOM 519 C ASN A 35 -3.955 0.297 1.705 1.00 0.00 C ATOM 520 O ASN A 35 -4.013 0.742 0.558 1.00 0.00 O ATOM 521 CB ASN A 35 -6.197 1.345 2.069 1.00 0.00 C ATOM 522 CG ASN A 35 -7.512 0.595 2.149 1.00 0.00 C ATOM 523 OD1 ASN A 35 -8.289 0.579 1.194 1.00 0.00 O ATOM 524 ND2 ASN A 35 -7.769 -0.030 3.291 1.00 0.00 N ATOM 0 H ASN A 35 -4.675 2.328 3.816 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.444 -0.368 3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.304 2.314 2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.955 1.538 1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.639 -0.550 3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.096 0.010 4.057 1.00 0.00 H new ATOM 531 N MET A 36 -2.954 -0.443 2.150 1.00 0.00 N ATOM 532 CA MET A 36 -1.824 -0.796 1.314 1.00 0.00 C ATOM 533 C MET A 36 -2.277 -1.506 0.041 1.00 0.00 C ATOM 534 O MET A 36 -1.529 -1.580 -0.935 1.00 0.00 O ATOM 535 CB MET A 36 -0.859 -1.668 2.119 1.00 0.00 C ATOM 536 CG MET A 36 -1.172 -3.158 2.073 1.00 0.00 C ATOM 537 SD MET A 36 -2.777 -3.550 2.794 1.00 0.00 S ATOM 538 CE MET A 36 -3.212 -5.025 1.876 1.00 0.00 C ATOM 0 H MET A 36 -2.903 -0.814 3.099 1.00 0.00 H new ATOM 0 HA MET A 36 -1.311 0.115 1.004 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.153 -1.510 1.746 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.871 -1.338 3.158 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.150 -3.499 1.038 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.395 -3.706 2.606 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.288 -5.186 1.935 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.920 -4.904 0.833 1.00 0.00 H new ATOM 0 HE3 MET A 36 -2.693 -5.884 2.301 1.00 0.00 H new ATOM 548 N CYS A 37 -3.504 -2.020 0.048 1.00 0.00 N ATOM 549 CA CYS A 37 -4.031 -2.710 -1.121 1.00 0.00 C ATOM 550 C CYS A 37 -4.519 -1.703 -2.155 1.00 0.00 C ATOM 551 O CYS A 37 -4.170 -1.791 -3.331 1.00 0.00 O ATOM 552 CB CYS A 37 -5.146 -3.691 -0.732 1.00 0.00 C ATOM 553 SG CYS A 37 -6.713 -2.920 -0.207 1.00 0.00 S ATOM 0 H CYS A 37 -4.144 -1.972 0.841 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.225 -3.294 -1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.348 -4.342 -1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.783 -4.326 0.077 1.00 0.00 H new ATOM 558 N ALA A 38 -5.304 -0.730 -1.704 1.00 0.00 N ATOM 559 CA ALA A 38 -5.822 0.312 -2.587 1.00 0.00 C ATOM 560 C ALA A 38 -4.694 1.152 -3.162 1.00 0.00 C ATOM 561 O ALA A 38 -4.876 1.865 -4.150 1.00 0.00 O ATOM 562 CB ALA A 38 -6.812 1.193 -1.841 1.00 0.00 C ATOM 0 H ALA A 38 -5.596 -0.640 -0.731 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.338 -0.172 -3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.189 1.965 -2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.643 0.585 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.314 1.662 -0.992 1.00 0.00 H new ATOM 568 N LEU A 39 -3.530 1.063 -2.540 1.00 0.00 N ATOM 569 CA LEU A 39 -2.375 1.813 -2.983 1.00 0.00 C ATOM 570 C LEU A 39 -1.650 1.078 -4.092 1.00 0.00 C ATOM 571 O LEU A 39 -1.212 1.681 -5.065 1.00 0.00 O ATOM 572 CB LEU A 39 -1.435 2.019 -1.807 1.00 0.00 C ATOM 573 CG LEU A 39 -1.179 3.476 -1.433 1.00 0.00 C ATOM 574 CD1 LEU A 39 -2.140 3.916 -0.346 1.00 0.00 C ATOM 575 CD2 LEU A 39 0.263 3.671 -0.989 1.00 0.00 C ATOM 0 H LEU A 39 -3.363 0.475 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.707 2.777 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.845 1.504 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.480 1.546 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.348 4.095 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.946 4.957 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.165 3.815 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.001 3.292 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.425 4.717 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.464 3.044 -0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.935 3.393 -1.801 1.00 0.00 H new ATOM 587 N CYS A 40 -1.521 -0.228 -3.931 1.00 0.00 N ATOM 588 CA CYS A 40 -0.840 -1.043 -4.917 1.00 0.00 C ATOM 589 C CYS A 40 -1.675 -1.158 -6.185 1.00 0.00 C ATOM 590 O CYS A 40 -1.134 -1.215 -7.289 1.00 0.00 O ATOM 591 CB CYS A 40 -0.504 -2.422 -4.331 1.00 0.00 C ATOM 592 SG CYS A 40 -1.101 -3.849 -5.296 1.00 0.00 S ATOM 0 H CYS A 40 -1.879 -0.744 -3.127 1.00 0.00 H new ATOM 0 HA CYS A 40 0.099 -0.560 -5.186 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.578 -2.501 -4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.923 -2.483 -3.327 1.00 0.00 H new ATOM 597 N CYS A 41 -2.995 -1.188 -6.028 1.00 0.00 N ATOM 598 CA CYS A 41 -3.877 -1.292 -7.179 1.00 0.00 C ATOM 599 C CYS A 41 -3.955 0.034 -7.928 1.00 0.00 C ATOM 600 O CYS A 41 -4.030 0.066 -9.156 1.00 0.00 O ATOM 601 CB CYS A 41 -5.263 -1.738 -6.729 1.00 0.00 C ATOM 602 SG CYS A 41 -6.427 -0.395 -6.318 1.00 0.00 S ATOM 0 H CYS A 41 -3.470 -1.142 -5.126 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.470 -2.037 -7.863 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.703 -2.347 -7.518 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.153 -2.380 -5.855 1.00 0.00 H new ATOM 607 N GLU A 42 -3.954 1.121 -7.170 1.00 0.00 N ATOM 608 CA GLU A 42 -4.043 2.462 -7.750 1.00 0.00 C ATOM 609 C GLU A 42 -2.686 2.977 -8.236 1.00 0.00 C ATOM 610 O GLU A 42 -2.606 3.682 -9.242 1.00 0.00 O ATOM 611 CB GLU A 42 -4.628 3.438 -6.728 1.00 0.00 C ATOM 612 CG GLU A 42 -6.123 3.272 -6.514 1.00 0.00 C ATOM 613 CD GLU A 42 -6.748 4.467 -5.820 1.00 0.00 C ATOM 614 OE1 GLU A 42 -6.441 4.690 -4.630 1.00 0.00 O ATOM 615 OE2 GLU A 42 -7.545 5.178 -6.466 1.00 0.00 O ATOM 0 H GLU A 42 -3.893 1.105 -6.152 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.699 2.394 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.116 3.303 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.428 4.458 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.610 3.120 -7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.304 2.376 -5.921 1.00 0.00 H new ATOM 622 N HIS A 43 -1.629 2.639 -7.509 1.00 0.00 N ATOM 623 CA HIS A 43 -0.279 3.084 -7.855 1.00 0.00 C ATOM 624 C HIS A 43 0.327 2.236 -8.971 1.00 0.00 C ATOM 625 O HIS A 43 -0.227 1.206 -9.354 1.00 0.00 O ATOM 626 CB HIS A 43 0.609 3.059 -6.612 1.00 0.00 C ATOM 627 CG HIS A 43 0.222 4.097 -5.605 1.00 0.00 C ATOM 628 ND1 HIS A 43 -0.208 5.358 -5.961 1.00 0.00 N ATOM 629 CD2 HIS A 43 0.190 4.059 -4.253 1.00 0.00 C ATOM 630 CE1 HIS A 43 -0.484 6.050 -4.871 1.00 0.00 C ATOM 631 NE2 HIS A 43 -0.251 5.287 -3.821 1.00 0.00 N ATOM 0 H HIS A 43 -1.678 2.057 -6.673 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.344 4.106 -8.228 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.554 2.073 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.646 3.215 -6.908 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.299 5.702 -6.917 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.461 3.220 -3.629 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.840 7.069 -4.844 1.00 0.00 H new ATOM 640 N PRO A 44 1.478 2.674 -9.512 1.00 0.00 N ATOM 641 CA PRO A 44 2.170 1.972 -10.596 1.00 0.00 C ATOM 642 C PRO A 44 2.815 0.678 -10.117 1.00 0.00 C ATOM 643 O PRO A 44 3.920 0.687 -9.576 1.00 0.00 O ATOM 644 CB PRO A 44 3.248 2.969 -11.055 1.00 0.00 C ATOM 645 CG PRO A 44 2.918 4.261 -10.377 1.00 0.00 C ATOM 646 CD PRO A 44 2.197 3.889 -9.116 1.00 0.00 C ATOM 0 HA PRO A 44 1.484 1.680 -11.391 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.244 2.624 -10.777 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.241 3.082 -12.139 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.822 4.829 -10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.294 4.888 -11.014 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.887 3.703 -8.293 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.517 4.676 -8.790 1.00 0.00 H new ATOM 654 N GLY A 45 2.111 -0.434 -10.308 1.00 0.00 N ATOM 655 CA GLY A 45 2.630 -1.716 -9.876 1.00 0.00 C ATOM 656 C GLY A 45 2.945 -1.735 -8.393 1.00 0.00 C ATOM 657 O GLY A 45 3.709 -2.579 -7.923 1.00 0.00 O ATOM 0 H GLY A 45 1.194 -0.469 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.902 -2.495 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.533 -1.950 -10.441 1.00 0.00 H new ATOM 661 N GLY A 46 2.353 -0.800 -7.654 1.00 0.00 N ATOM 662 CA GLY A 46 2.585 -0.726 -6.226 1.00 0.00 C ATOM 663 C GLY A 46 3.622 0.313 -5.855 1.00 0.00 C ATOM 664 O GLY A 46 4.815 0.112 -6.076 1.00 0.00 O ATOM 0 H GLY A 46 1.717 -0.093 -8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.647 -0.494 -5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.909 -1.702 -5.864 1.00 0.00 H new ATOM 668 N PHE A 47 3.172 1.425 -5.274 1.00 0.00 N ATOM 669 CA PHE A 47 4.082 2.489 -4.857 1.00 0.00 C ATOM 670 C PHE A 47 5.208 1.908 -4.015 1.00 0.00 C ATOM 671 O PHE A 47 5.196 0.721 -3.691 1.00 0.00 O ATOM 672 CB PHE A 47 3.329 3.558 -4.052 1.00 0.00 C ATOM 673 CG PHE A 47 3.031 4.834 -4.804 1.00 0.00 C ATOM 674 CD1 PHE A 47 3.268 4.946 -6.168 1.00 0.00 C ATOM 675 CD2 PHE A 47 2.510 5.930 -4.132 1.00 0.00 C ATOM 676 CE1 PHE A 47 2.992 6.121 -6.842 1.00 0.00 C ATOM 677 CE2 PHE A 47 2.233 7.107 -4.802 1.00 0.00 C ATOM 678 CZ PHE A 47 2.474 7.203 -6.158 1.00 0.00 C ATOM 0 H PHE A 47 2.188 1.611 -5.083 1.00 0.00 H new ATOM 0 HA PHE A 47 4.502 2.955 -5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.388 3.132 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.916 3.805 -3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.673 4.104 -6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.318 5.863 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.181 6.193 -7.903 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.828 7.952 -4.265 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.258 8.122 -6.683 1.00 0.00 H new ATOM 688 N GLU A 48 6.176 2.738 -3.651 1.00 0.00 N ATOM 689 CA GLU A 48 7.290 2.263 -2.841 1.00 0.00 C ATOM 690 C GLU A 48 6.889 2.173 -1.386 1.00 0.00 C ATOM 691 O GLU A 48 7.127 3.099 -0.614 1.00 0.00 O ATOM 692 CB GLU A 48 8.482 3.200 -2.967 1.00 0.00 C ATOM 693 CG GLU A 48 9.747 2.657 -2.330 1.00 0.00 C ATOM 694 CD GLU A 48 10.837 2.363 -3.344 1.00 0.00 C ATOM 695 OE1 GLU A 48 10.508 2.204 -4.539 1.00 0.00 O ATOM 696 OE2 GLU A 48 12.018 2.294 -2.944 1.00 0.00 O ATOM 0 H GLU A 48 6.214 3.727 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 48 7.566 1.273 -3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.671 3.395 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.233 4.156 -2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.120 3.377 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.510 1.744 -1.783 1.00 0.00 H new ATOM 703 N TYR A 49 6.288 1.057 -0.999 1.00 0.00 N ATOM 704 CA TYR A 49 5.879 0.897 0.386 1.00 0.00 C ATOM 705 C TYR A 49 6.497 -0.308 1.050 1.00 0.00 C ATOM 706 O TYR A 49 6.849 -1.300 0.411 1.00 0.00 O ATOM 707 CB TYR A 49 4.378 0.811 0.541 1.00 0.00 C ATOM 708 CG TYR A 49 3.690 -0.230 -0.291 1.00 0.00 C ATOM 709 CD1 TYR A 49 3.319 0.029 -1.598 1.00 0.00 C ATOM 710 CD2 TYR A 49 3.377 -1.464 0.255 1.00 0.00 C ATOM 711 CE1 TYR A 49 2.659 -0.919 -2.344 1.00 0.00 C ATOM 712 CE2 TYR A 49 2.713 -2.418 -0.478 1.00 0.00 C ATOM 713 CZ TYR A 49 2.353 -2.141 -1.782 1.00 0.00 C ATOM 714 OH TYR A 49 1.679 -3.082 -2.521 1.00 0.00 O ATOM 0 H TYR A 49 6.077 0.267 -1.609 1.00 0.00 H new ATOM 0 HA TYR A 49 6.243 1.797 0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.151 0.618 1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.951 1.784 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.551 0.988 -2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.660 -1.680 1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.381 -0.708 -3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.475 -3.375 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 49 2.209 -3.905 -2.564 1.00 0.00 H new ATOM 724 N SER A 50 6.585 -0.207 2.360 1.00 0.00 N ATOM 725 CA SER A 50 7.120 -1.273 3.187 1.00 0.00 C ATOM 726 C SER A 50 6.267 -1.419 4.434 1.00 0.00 C ATOM 727 O SER A 50 6.394 -0.645 5.384 1.00 0.00 O ATOM 728 CB SER A 50 8.569 -0.988 3.566 1.00 0.00 C ATOM 729 OG SER A 50 8.722 0.337 4.048 1.00 0.00 O ATOM 0 H SER A 50 6.288 0.616 2.884 1.00 0.00 H new ATOM 0 HA SER A 50 7.098 -2.205 2.622 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.894 -1.695 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.211 -1.138 2.698 1.00 0.00 H new ATOM 0 HG SER A 50 8.108 0.486 4.797 1.00 0.00 H new ATOM 735 N ASN A 51 5.376 -2.400 4.414 1.00 0.00 N ATOM 736 CA ASN A 51 4.477 -2.631 5.534 1.00 0.00 C ATOM 737 C ASN A 51 5.231 -2.718 6.850 1.00 0.00 C ATOM 738 O ASN A 51 6.254 -3.394 6.960 1.00 0.00 O ATOM 739 CB ASN A 51 3.659 -3.900 5.332 1.00 0.00 C ATOM 740 CG ASN A 51 2.760 -3.824 4.113 1.00 0.00 C ATOM 741 OD1 ASN A 51 1.583 -3.478 4.216 1.00 0.00 O ATOM 742 ND2 ASN A 51 3.309 -4.147 2.948 1.00 0.00 N ATOM 0 H ASN A 51 5.257 -3.048 3.635 1.00 0.00 H new ATOM 0 HA ASN A 51 3.802 -1.776 5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.333 -4.750 5.230 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.050 -4.081 6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.751 -4.114 2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.288 -4.429 2.906 1.00 0.00 H new ATOM 749 N GLY A 52 4.704 -2.026 7.842 1.00 0.00 N ATOM 750 CA GLY A 52 5.314 -2.018 9.160 1.00 0.00 C ATOM 751 C GLY A 52 5.685 -0.622 9.623 1.00 0.00 C ATOM 752 O GLY A 52 5.410 0.354 8.930 1.00 0.00 O ATOM 0 H GLY A 52 3.857 -1.463 7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.625 -2.464 9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.208 -2.642 9.146 1.00 0.00 H new ATOM 756 N PRO A 53 6.316 -0.497 10.804 1.00 0.00 N ATOM 757 CA PRO A 53 6.722 0.799 11.348 1.00 0.00 C ATOM 758 C PRO A 53 8.035 1.290 10.750 1.00 0.00 C ATOM 759 O PRO A 53 9.063 0.619 10.851 1.00 0.00 O ATOM 760 CB PRO A 53 6.888 0.501 12.836 1.00 0.00 C ATOM 761 CG PRO A 53 7.326 -0.923 12.883 1.00 0.00 C ATOM 762 CD PRO A 53 6.680 -1.609 11.705 1.00 0.00 C ATOM 0 HA PRO A 53 6.002 1.588 11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.627 1.159 13.293 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.953 0.647 13.377 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.412 -0.997 12.827 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.022 -1.392 13.819 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.366 -2.306 11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.803 -2.182 12.007 1.00 0.00 H new ATOM 770 N CYS A 54 7.997 2.461 10.125 1.00 0.00 N ATOM 771 CA CYS A 54 9.187 3.038 9.508 1.00 0.00 C ATOM 772 C CYS A 54 9.102 4.561 9.490 1.00 0.00 C ATOM 773 O CYS A 54 10.051 5.250 9.862 1.00 0.00 O ATOM 774 CB CYS A 54 9.377 2.508 8.077 1.00 0.00 C ATOM 775 SG CYS A 54 8.119 1.302 7.533 1.00 0.00 S ATOM 0 H CYS A 54 7.156 3.030 10.032 1.00 0.00 H new ATOM 0 HA CYS A 54 10.048 2.740 10.106 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.372 3.353 7.388 1.00 0.00 H new ATOM 0 HB3 CYS A 54 10.360 2.044 8.004 1.00 0.00 H new ATOM 780 N GLU A 55 7.958 5.079 9.056 1.00 0.00 N ATOM 781 CA GLU A 55 7.747 6.519 8.989 1.00 0.00 C ATOM 782 C GLU A 55 7.703 7.127 10.388 1.00 0.00 C ATOM 783 O GLU A 55 8.742 7.657 10.837 1.00 0.00 O ATOM 784 CB GLU A 55 6.449 6.831 8.242 1.00 0.00 C ATOM 785 CG GLU A 55 6.583 7.960 7.233 1.00 0.00 C ATOM 786 CD GLU A 55 5.948 9.250 7.715 1.00 0.00 C ATOM 787 OE1 GLU A 55 4.896 9.180 8.384 1.00 0.00 O ATOM 788 OE2 GLU A 55 6.504 10.330 7.423 1.00 0.00 O ATOM 789 OXT GLU A 55 6.629 7.070 11.023 1.00 0.00 O ATOM 0 H GLU A 55 7.162 4.522 8.745 1.00 0.00 H new ATOM 0 HA GLU A 55 8.584 6.960 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.112 5.932 7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.677 7.092 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.639 8.134 7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.119 7.660 6.293 1.00 0.00 H new