USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0121 (180deg=-0.319) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.951 K(o=-0.95,f=-4.8!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.36 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -123:sc= -0.347 (180deg=-1.47!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 18:sc= 0.35 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 159:sc= 0.358 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -11.5! C(o=-11!,f=-23!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.864 11.842 -1.826 1.00 0.00 N ATOM 2 CA MET A 1 11.679 11.126 -1.271 1.00 0.00 C ATOM 3 C MET A 1 11.024 10.267 -2.356 1.00 0.00 C ATOM 4 O MET A 1 10.461 10.774 -3.305 1.00 0.00 O ATOM 5 CB MET A 1 10.727 12.231 -0.814 1.00 0.00 C ATOM 6 CG MET A 1 11.293 12.908 0.436 1.00 0.00 C ATOM 7 SD MET A 1 10.052 14.028 1.130 1.00 0.00 S ATOM 8 CE MET A 1 9.706 13.079 2.632 1.00 0.00 C ATOM 0 H1 MET A 1 13.486 12.138 -1.047 1.00 0.00 H new ATOM 0 H2 MET A 1 13.386 11.207 -2.464 1.00 0.00 H new ATOM 0 H3 MET A 1 12.547 12.680 -2.354 1.00 0.00 H new ATOM 0 HA MET A 1 11.947 10.455 -0.454 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.595 12.964 -1.610 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.743 11.813 -0.600 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.574 12.157 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.198 13.461 0.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.951 13.597 3.224 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.338 12.089 2.361 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.620 12.979 3.217 1.00 0.00 H new ATOM 20 N LYS A 2 11.093 8.971 -2.222 1.00 0.00 N ATOM 21 CA LYS A 2 10.471 8.083 -3.246 1.00 0.00 C ATOM 22 C LYS A 2 9.770 6.904 -2.565 1.00 0.00 C ATOM 23 O LYS A 2 10.090 6.541 -1.450 1.00 0.00 O ATOM 24 CB LYS A 2 11.632 7.582 -4.108 1.00 0.00 C ATOM 25 CG LYS A 2 12.581 8.740 -4.427 1.00 0.00 C ATOM 26 CD LYS A 2 13.873 8.185 -5.029 1.00 0.00 C ATOM 27 CE LYS A 2 15.016 9.174 -4.791 1.00 0.00 C ATOM 28 NZ LYS A 2 14.890 10.177 -5.885 1.00 0.00 N ATOM 0 H LYS A 2 11.552 8.489 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 2 9.721 8.607 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.171 6.792 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.250 7.148 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.108 9.431 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.802 9.304 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.112 7.222 -4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.744 8.013 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.933 9.645 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 2 15.984 8.674 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.641 10.890 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.980 9.700 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.961 10.641 -5.825 1.00 0.00 H new ATOM 42 N CYS A 3 8.821 6.305 -3.228 1.00 0.00 N ATOM 43 CA CYS A 3 8.099 5.148 -2.619 1.00 0.00 C ATOM 44 C CYS A 3 8.174 3.929 -3.542 1.00 0.00 C ATOM 45 O CYS A 3 7.747 3.976 -4.677 1.00 0.00 O ATOM 46 CB CYS A 3 6.649 5.615 -2.471 1.00 0.00 C ATOM 47 SG CYS A 3 5.753 4.471 -1.391 1.00 0.00 S ATOM 0 H CYS A 3 8.512 6.565 -4.165 1.00 0.00 H new ATOM 0 HA CYS A 3 8.533 4.852 -1.664 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.621 6.622 -2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.169 5.660 -3.449 1.00 0.00 H new ATOM 52 N LYS A 4 8.710 2.839 -3.062 1.00 0.00 N ATOM 53 CA LYS A 4 8.813 1.615 -3.910 1.00 0.00 C ATOM 54 C LYS A 4 7.463 0.894 -3.958 1.00 0.00 C ATOM 55 O LYS A 4 6.955 0.439 -2.952 1.00 0.00 O ATOM 56 CB LYS A 4 9.861 0.744 -3.215 1.00 0.00 C ATOM 57 CG LYS A 4 9.810 -0.674 -3.787 1.00 0.00 C ATOM 58 CD LYS A 4 11.088 -1.424 -3.405 1.00 0.00 C ATOM 59 CE LYS A 4 12.225 -1.009 -4.342 1.00 0.00 C ATOM 60 NZ LYS A 4 13.244 -2.087 -4.212 1.00 0.00 N ATOM 0 H LYS A 4 9.082 2.743 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 4 9.089 1.844 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.855 1.169 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.675 0.721 -2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.937 -1.202 -3.402 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.708 -0.637 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.356 -1.204 -2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.924 -2.500 -3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.876 -0.918 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.637 -0.040 -4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.056 -1.873 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.563 -2.146 -3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.826 -2.996 -4.495 1.00 0.00 H new ATOM 74 N ILE A 5 6.873 0.792 -5.118 1.00 0.00 N ATOM 75 CA ILE A 5 5.553 0.106 -5.227 1.00 0.00 C ATOM 76 C ILE A 5 5.733 -1.339 -5.702 1.00 0.00 C ATOM 77 O ILE A 5 6.495 -1.619 -6.608 1.00 0.00 O ATOM 78 CB ILE A 5 4.768 0.915 -6.259 1.00 0.00 C ATOM 79 CG1 ILE A 5 4.733 2.384 -5.830 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.340 0.379 -6.351 1.00 0.00 C ATOM 81 CD1 ILE A 5 4.212 2.485 -4.395 1.00 0.00 C ATOM 0 H ILE A 5 7.248 1.154 -5.995 1.00 0.00 H new ATOM 0 HA ILE A 5 5.039 0.058 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 5 5.251 0.829 -7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.731 2.817 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.092 2.955 -6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.781 0.957 -7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.363 -0.668 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.856 0.465 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.187 3.531 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.206 2.068 -4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.871 1.928 -3.729 1.00 0.00 H new ATOM 93 N CYS A 6 5.027 -2.254 -5.096 1.00 0.00 N ATOM 94 CA CYS A 6 5.138 -3.685 -5.501 1.00 0.00 C ATOM 95 C CYS A 6 3.912 -4.458 -5.007 1.00 0.00 C ATOM 96 O CYS A 6 3.286 -4.084 -4.035 1.00 0.00 O ATOM 97 CB CYS A 6 6.407 -4.195 -4.816 1.00 0.00 C ATOM 98 SG CYS A 6 6.215 -4.066 -3.021 1.00 0.00 S ATOM 0 H CYS A 6 4.374 -2.071 -4.334 1.00 0.00 H new ATOM 0 HA CYS A 6 5.185 -3.811 -6.583 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.595 -5.231 -5.099 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.269 -3.614 -5.143 1.00 0.00 H new ATOM 103 N ASN A 7 3.557 -5.527 -5.666 1.00 0.00 N ATOM 104 CA ASN A 7 2.364 -6.305 -5.221 1.00 0.00 C ATOM 105 C ASN A 7 2.457 -7.757 -5.697 1.00 0.00 C ATOM 106 O ASN A 7 3.526 -8.327 -5.789 1.00 0.00 O ATOM 107 CB ASN A 7 1.172 -5.604 -5.873 1.00 0.00 C ATOM 108 CG ASN A 7 1.195 -5.855 -7.381 1.00 0.00 C ATOM 109 OD1 ASN A 7 2.240 -5.815 -8.000 1.00 0.00 O ATOM 110 ND2 ASN A 7 0.078 -6.114 -8.005 1.00 0.00 N ATOM 0 H ASN A 7 4.037 -5.894 -6.488 1.00 0.00 H new ATOM 0 HA ASN A 7 2.279 -6.338 -4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.240 -5.975 -5.446 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.211 -4.534 -5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.083 -6.283 -9.011 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.800 -6.148 -7.487 1.00 0.00 H new ATOM 117 N PHE A 8 1.337 -8.358 -5.998 1.00 0.00 N ATOM 118 CA PHE A 8 1.340 -9.775 -6.465 1.00 0.00 C ATOM 119 C PHE A 8 1.669 -10.717 -5.302 1.00 0.00 C ATOM 120 O PHE A 8 2.632 -11.457 -5.340 1.00 0.00 O ATOM 121 CB PHE A 8 2.421 -9.849 -7.546 1.00 0.00 C ATOM 122 CG PHE A 8 1.846 -10.499 -8.783 1.00 0.00 C ATOM 123 CD1 PHE A 8 1.409 -11.827 -8.734 1.00 0.00 C ATOM 124 CD2 PHE A 8 1.749 -9.772 -9.975 1.00 0.00 C ATOM 125 CE1 PHE A 8 0.874 -12.431 -9.879 1.00 0.00 C ATOM 126 CE2 PHE A 8 1.214 -10.375 -11.120 1.00 0.00 C ATOM 127 CZ PHE A 8 0.776 -11.705 -11.072 1.00 0.00 C ATOM 0 H PHE A 8 0.415 -7.926 -5.940 1.00 0.00 H new ATOM 0 HA PHE A 8 0.367 -10.078 -6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.784 -8.849 -7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.275 -10.421 -7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.484 -12.387 -7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.087 -8.747 -10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.537 -13.456 -9.842 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.139 -9.815 -12.040 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.363 -12.170 -11.955 1.00 0.00 H new ATOM 137 N ASP A 9 0.866 -10.698 -4.273 1.00 0.00 N ATOM 138 CA ASP A 9 1.115 -11.594 -3.107 1.00 0.00 C ATOM 139 C ASP A 9 2.529 -11.390 -2.552 1.00 0.00 C ATOM 140 O ASP A 9 3.034 -12.207 -1.809 1.00 0.00 O ATOM 141 CB ASP A 9 0.959 -13.011 -3.659 1.00 0.00 C ATOM 142 CG ASP A 9 -0.322 -13.638 -3.106 1.00 0.00 C ATOM 143 OD1 ASP A 9 -1.163 -12.895 -2.628 1.00 0.00 O ATOM 144 OD2 ASP A 9 -0.439 -14.851 -3.171 1.00 0.00 O ATOM 0 H ASP A 9 0.045 -10.098 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 9 0.428 -11.391 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.923 -12.986 -4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.822 -13.617 -3.382 1.00 0.00 H new ATOM 149 N THR A 10 3.171 -10.309 -2.902 1.00 0.00 N ATOM 150 CA THR A 10 4.550 -10.070 -2.384 1.00 0.00 C ATOM 151 C THR A 10 5.115 -8.762 -2.944 1.00 0.00 C ATOM 152 O THR A 10 4.452 -8.044 -3.666 1.00 0.00 O ATOM 153 CB THR A 10 5.371 -11.261 -2.877 1.00 0.00 C ATOM 154 OG1 THR A 10 6.748 -11.020 -2.627 1.00 0.00 O ATOM 155 CG2 THR A 10 5.149 -11.450 -4.379 1.00 0.00 C ATOM 0 H THR A 10 2.804 -9.585 -3.520 1.00 0.00 H new ATOM 0 HA THR A 10 4.569 -9.981 -1.298 1.00 0.00 H new ATOM 0 HB THR A 10 5.057 -12.162 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.276 -11.784 -2.941 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.735 -12.300 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.092 -11.635 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.462 -10.550 -4.909 1.00 0.00 H new ATOM 163 N CYS A 11 6.338 -8.449 -2.616 1.00 0.00 N ATOM 164 CA CYS A 11 6.952 -7.191 -3.128 1.00 0.00 C ATOM 165 C CYS A 11 8.025 -7.518 -4.168 1.00 0.00 C ATOM 166 O CYS A 11 9.110 -6.972 -4.150 1.00 0.00 O ATOM 167 CB CYS A 11 7.575 -6.524 -1.902 1.00 0.00 C ATOM 168 SG CYS A 11 7.948 -4.793 -2.283 1.00 0.00 S ATOM 0 H CYS A 11 6.940 -9.011 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 11 6.224 -6.542 -3.614 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.891 -6.582 -1.056 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.486 -7.048 -1.612 1.00 0.00 H new ATOM 173 N ARG A 12 7.727 -8.407 -5.075 1.00 0.00 N ATOM 174 CA ARG A 12 8.727 -8.772 -6.118 1.00 0.00 C ATOM 175 C ARG A 12 8.782 -7.688 -7.198 1.00 0.00 C ATOM 176 O ARG A 12 9.575 -7.752 -8.116 1.00 0.00 O ATOM 177 CB ARG A 12 8.220 -10.090 -6.708 1.00 0.00 C ATOM 178 CG ARG A 12 8.758 -11.261 -5.884 1.00 0.00 C ATOM 179 CD ARG A 12 9.773 -12.048 -6.717 1.00 0.00 C ATOM 180 NE ARG A 12 9.192 -13.414 -6.839 1.00 0.00 N ATOM 181 CZ ARG A 12 8.395 -13.696 -7.833 1.00 0.00 C ATOM 182 NH1 ARG A 12 8.874 -13.802 -9.042 1.00 0.00 N ATOM 183 NH2 ARG A 12 7.120 -13.870 -7.617 1.00 0.00 N ATOM 0 H ARG A 12 6.834 -8.896 -5.139 1.00 0.00 H new ATOM 0 HA ARG A 12 9.734 -8.867 -5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.130 -10.104 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.542 -10.184 -7.745 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.228 -10.892 -4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.939 -11.912 -5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.919 -11.592 -7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.748 -12.075 -6.230 1.00 0.00 H new ATOM 0 HE ARG A 12 9.417 -14.128 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.871 -13.664 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.252 -14.022 -9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.747 -13.786 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.497 -14.090 -8.394 1.00 0.00 H new ATOM 197 N ALA A 13 7.946 -6.693 -7.093 1.00 0.00 N ATOM 198 CA ALA A 13 7.951 -5.605 -8.113 1.00 0.00 C ATOM 199 C ALA A 13 8.943 -4.511 -7.711 1.00 0.00 C ATOM 200 O ALA A 13 9.575 -4.582 -6.675 1.00 0.00 O ATOM 201 CB ALA A 13 6.523 -5.058 -8.117 1.00 0.00 C ATOM 0 H ALA A 13 7.260 -6.585 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 13 8.252 -5.963 -9.098 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.445 -4.250 -8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.829 -5.855 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.276 -4.678 -7.126 1.00 0.00 H new ATOM 207 N GLY A 14 9.083 -3.500 -8.522 1.00 0.00 N ATOM 208 CA GLY A 14 10.033 -2.403 -8.188 1.00 0.00 C ATOM 209 C GLY A 14 9.519 -1.091 -8.780 1.00 0.00 C ATOM 210 O GLY A 14 10.276 -0.291 -9.293 1.00 0.00 O ATOM 0 H GLY A 14 8.580 -3.386 -9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.135 -2.312 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.023 -2.631 -8.584 1.00 0.00 H new ATOM 214 N GLU A 15 8.236 -0.861 -8.714 1.00 0.00 N ATOM 215 CA GLU A 15 7.677 0.402 -9.274 1.00 0.00 C ATOM 216 C GLU A 15 7.856 1.543 -8.272 1.00 0.00 C ATOM 217 O GLU A 15 6.906 2.023 -7.686 1.00 0.00 O ATOM 218 CB GLU A 15 6.193 0.114 -9.501 1.00 0.00 C ATOM 219 CG GLU A 15 5.943 -0.129 -10.991 1.00 0.00 C ATOM 220 CD GLU A 15 4.608 -0.852 -11.176 1.00 0.00 C ATOM 221 OE1 GLU A 15 3.594 -0.289 -10.794 1.00 0.00 O ATOM 222 OE2 GLU A 15 4.620 -1.955 -11.696 1.00 0.00 O ATOM 0 H GLU A 15 7.552 -1.492 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 15 8.176 0.704 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.888 -0.759 -8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.591 0.953 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.932 0.820 -11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.752 -0.725 -11.413 1.00 0.00 H new ATOM 229 N LEU A 16 9.068 1.979 -8.064 1.00 0.00 N ATOM 230 CA LEU A 16 9.299 3.084 -7.093 1.00 0.00 C ATOM 231 C LEU A 16 9.130 4.444 -7.775 1.00 0.00 C ATOM 232 O LEU A 16 9.506 4.632 -8.915 1.00 0.00 O ATOM 233 CB LEU A 16 10.736 2.897 -6.607 1.00 0.00 C ATOM 234 CG LEU A 16 11.169 4.126 -5.807 1.00 0.00 C ATOM 235 CD1 LEU A 16 12.078 3.690 -4.656 1.00 0.00 C ATOM 236 CD2 LEU A 16 11.932 5.087 -6.721 1.00 0.00 C ATOM 0 H LEU A 16 9.905 1.619 -8.523 1.00 0.00 H new ATOM 0 HA LEU A 16 8.586 3.059 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.808 2.003 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.402 2.750 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 16 10.288 4.627 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.387 4.565 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.536 3.004 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.959 3.189 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.241 5.963 -6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.813 4.586 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.286 5.398 -7.542 1.00 0.00 H new ATOM 248 N LYS A 17 8.567 5.393 -7.079 1.00 0.00 N ATOM 249 CA LYS A 17 8.371 6.743 -7.672 1.00 0.00 C ATOM 250 C LYS A 17 8.398 7.799 -6.564 1.00 0.00 C ATOM 251 O LYS A 17 9.221 7.751 -5.672 1.00 0.00 O ATOM 252 CB LYS A 17 6.994 6.687 -8.336 1.00 0.00 C ATOM 253 CG LYS A 17 6.933 5.493 -9.290 1.00 0.00 C ATOM 254 CD LYS A 17 5.618 5.530 -10.070 1.00 0.00 C ATOM 255 CE LYS A 17 5.774 4.740 -11.372 1.00 0.00 C ATOM 256 NZ LYS A 17 4.545 3.903 -11.463 1.00 0.00 N ATOM 0 H LYS A 17 8.233 5.289 -6.121 1.00 0.00 H new ATOM 0 HA LYS A 17 9.150 7.007 -8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.216 6.599 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.804 7.611 -8.882 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.777 5.521 -9.979 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.009 4.562 -8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.814 5.105 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.342 6.561 -10.289 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.862 5.406 -12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.672 4.122 -11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.578 3.331 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.491 3.274 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.707 4.518 -11.485 1.00 0.00 H new ATOM 270 N VAL A 18 7.506 8.750 -6.608 1.00 0.00 N ATOM 271 CA VAL A 18 7.491 9.803 -5.556 1.00 0.00 C ATOM 272 C VAL A 18 6.124 9.849 -4.868 1.00 0.00 C ATOM 273 O VAL A 18 5.105 9.571 -5.470 1.00 0.00 O ATOM 274 CB VAL A 18 7.760 11.101 -6.311 1.00 0.00 C ATOM 275 CG1 VAL A 18 9.229 11.145 -6.734 1.00 0.00 C ATOM 276 CG2 VAL A 18 6.870 11.157 -7.555 1.00 0.00 C ATOM 0 H VAL A 18 6.788 8.843 -7.326 1.00 0.00 H new ATOM 0 HA VAL A 18 8.227 9.622 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 18 7.540 11.952 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.425 12.071 -7.274 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.864 11.100 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.447 10.295 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.060 12.084 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.093 10.307 -8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.823 11.120 -7.255 1.00 0.00 H new ATOM 286 N CYS A 19 6.093 10.199 -3.610 1.00 0.00 N ATOM 287 CA CYS A 19 4.791 10.263 -2.886 1.00 0.00 C ATOM 288 C CYS A 19 4.791 11.437 -1.901 1.00 0.00 C ATOM 289 O CYS A 19 4.090 12.412 -2.084 1.00 0.00 O ATOM 290 CB CYS A 19 4.687 8.934 -2.136 1.00 0.00 C ATOM 291 SG CYS A 19 2.961 8.628 -1.686 1.00 0.00 S ATOM 0 H CYS A 19 6.912 10.443 -3.053 1.00 0.00 H new ATOM 0 HA CYS A 19 3.950 10.415 -3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.061 8.122 -2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.308 8.960 -1.241 1.00 0.00 H new ATOM 296 N ALA A 20 5.571 11.351 -0.859 1.00 0.00 N ATOM 297 CA ALA A 20 5.613 12.462 0.135 1.00 0.00 C ATOM 298 C ALA A 20 6.136 13.740 -0.526 1.00 0.00 C ATOM 299 O ALA A 20 7.286 14.102 -0.377 1.00 0.00 O ATOM 300 CB ALA A 20 6.579 11.986 1.221 1.00 0.00 C ATOM 0 H ALA A 20 6.181 10.560 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 20 4.628 12.693 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.665 12.751 1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.202 11.064 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.559 11.803 0.781 1.00 0.00 H new ATOM 306 N SER A 21 5.299 14.426 -1.255 1.00 0.00 N ATOM 307 CA SER A 21 5.750 15.680 -1.925 1.00 0.00 C ATOM 308 C SER A 21 4.595 16.684 -2.003 1.00 0.00 C ATOM 309 O SER A 21 4.664 17.668 -2.710 1.00 0.00 O ATOM 310 CB SER A 21 6.179 15.248 -3.325 1.00 0.00 C ATOM 311 OG SER A 21 7.013 14.101 -3.227 1.00 0.00 O ATOM 0 H SER A 21 4.324 14.174 -1.416 1.00 0.00 H new ATOM 0 HA SER A 21 6.559 16.169 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.303 15.024 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.713 16.059 -3.821 1.00 0.00 H new ATOM 0 HG SER A 21 7.289 13.820 -4.124 1.00 0.00 H new ATOM 317 N GLY A 22 3.535 16.443 -1.280 1.00 0.00 N ATOM 318 CA GLY A 22 2.380 17.384 -1.314 1.00 0.00 C ATOM 319 C GLY A 22 1.136 16.691 -0.756 1.00 0.00 C ATOM 320 O GLY A 22 0.186 16.431 -1.468 1.00 0.00 O ATOM 0 H GLY A 22 3.419 15.635 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.606 18.274 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.197 17.714 -2.337 1.00 0.00 H new ATOM 324 N GLU A 23 1.134 16.389 0.514 1.00 0.00 N ATOM 325 CA GLU A 23 -0.049 15.712 1.117 1.00 0.00 C ATOM 326 C GLU A 23 -0.334 14.394 0.392 1.00 0.00 C ATOM 327 O GLU A 23 -1.418 14.171 -0.110 1.00 0.00 O ATOM 328 CB GLU A 23 -1.207 16.694 0.924 1.00 0.00 C ATOM 329 CG GLU A 23 -1.343 17.571 2.169 1.00 0.00 C ATOM 330 CD GLU A 23 -2.440 18.614 1.944 1.00 0.00 C ATOM 331 OE1 GLU A 23 -3.568 18.217 1.703 1.00 0.00 O ATOM 332 OE2 GLU A 23 -2.133 19.793 2.016 1.00 0.00 O ATOM 0 H GLU A 23 1.900 16.582 1.159 1.00 0.00 H new ATOM 0 HA GLU A 23 0.107 15.466 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.029 17.315 0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.134 16.149 0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.585 16.955 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.395 18.065 2.383 1.00 0.00 H new ATOM 339 N LYS A 24 0.632 13.517 0.336 1.00 0.00 N ATOM 340 CA LYS A 24 0.418 12.212 -0.353 1.00 0.00 C ATOM 341 C LYS A 24 1.227 11.113 0.341 1.00 0.00 C ATOM 342 O LYS A 24 2.420 10.989 0.143 1.00 0.00 O ATOM 343 CB LYS A 24 0.923 12.430 -1.781 1.00 0.00 C ATOM 344 CG LYS A 24 -0.243 12.857 -2.676 1.00 0.00 C ATOM 345 CD LYS A 24 0.178 12.761 -4.144 1.00 0.00 C ATOM 346 CE LYS A 24 -0.513 11.559 -4.794 1.00 0.00 C ATOM 347 NZ LYS A 24 -0.864 12.014 -6.168 1.00 0.00 N ATOM 0 H LYS A 24 1.560 13.648 0.738 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.626 11.900 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.701 13.194 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.372 11.513 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.108 12.220 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.543 13.878 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.089 13.677 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.260 12.656 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.147 10.692 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.402 11.265 -4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.342 11.243 -6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.498 12.836 -6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.003 12.280 -6.677 1.00 0.00 H new ATOM 361 N TYR A 25 0.590 10.318 1.157 1.00 0.00 N ATOM 362 CA TYR A 25 1.327 9.233 1.867 1.00 0.00 C ATOM 363 C TYR A 25 1.101 7.891 1.166 1.00 0.00 C ATOM 364 O TYR A 25 0.022 7.604 0.688 1.00 0.00 O ATOM 365 CB TYR A 25 0.733 9.191 3.280 1.00 0.00 C ATOM 366 CG TYR A 25 0.445 10.593 3.768 1.00 0.00 C ATOM 367 CD1 TYR A 25 1.322 11.638 3.455 1.00 0.00 C ATOM 368 CD2 TYR A 25 -0.701 10.845 4.530 1.00 0.00 C ATOM 369 CE1 TYR A 25 1.053 12.936 3.906 1.00 0.00 C ATOM 370 CE2 TYR A 25 -0.972 12.142 4.981 1.00 0.00 C ATOM 371 CZ TYR A 25 -0.095 13.189 4.669 1.00 0.00 C ATOM 372 OH TYR A 25 -0.361 14.468 5.112 1.00 0.00 O ATOM 0 H TYR A 25 -0.408 10.372 1.363 1.00 0.00 H new ATOM 0 HA TYR A 25 2.401 9.417 1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.185 8.603 3.279 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.427 8.697 3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.206 11.443 2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.377 10.038 4.770 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.730 13.742 3.666 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.857 12.336 5.569 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.196 14.469 5.626 1.00 0.00 H new ATOM 382 N CYS A 26 2.109 7.062 1.111 1.00 0.00 N ATOM 383 CA CYS A 26 1.942 5.734 0.453 1.00 0.00 C ATOM 384 C CYS A 26 1.083 4.832 1.343 1.00 0.00 C ATOM 385 O CYS A 26 1.445 4.525 2.463 1.00 0.00 O ATOM 386 CB CYS A 26 3.359 5.174 0.325 1.00 0.00 C ATOM 387 SG CYS A 26 3.846 5.146 -1.419 1.00 0.00 S ATOM 0 H CYS A 26 3.037 7.246 1.492 1.00 0.00 H new ATOM 0 HA CYS A 26 1.449 5.801 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.056 5.786 0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 26 3.402 4.168 0.741 1.00 0.00 H new ATOM 392 N PHE A 27 -0.057 4.415 0.865 1.00 0.00 N ATOM 393 CA PHE A 27 -0.937 3.547 1.700 1.00 0.00 C ATOM 394 C PHE A 27 -0.966 2.116 1.156 1.00 0.00 C ATOM 395 O PHE A 27 -1.364 1.874 0.034 1.00 0.00 O ATOM 396 CB PHE A 27 -2.325 4.185 1.606 1.00 0.00 C ATOM 397 CG PHE A 27 -2.863 4.030 0.203 1.00 0.00 C ATOM 398 CD1 PHE A 27 -2.532 4.967 -0.782 1.00 0.00 C ATOM 399 CD2 PHE A 27 -3.695 2.948 -0.112 1.00 0.00 C ATOM 400 CE1 PHE A 27 -3.032 4.825 -2.082 1.00 0.00 C ATOM 401 CE2 PHE A 27 -4.195 2.806 -1.412 1.00 0.00 C ATOM 402 CZ PHE A 27 -3.864 3.744 -2.397 1.00 0.00 C ATOM 0 H PHE A 27 -0.417 4.636 -0.063 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.583 3.479 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.001 3.714 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.269 5.241 1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.890 5.801 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.951 2.224 0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.776 5.549 -2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.837 1.972 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.250 3.634 -3.400 1.00 0.00 H new ATOM 412 N LYS A 28 -0.557 1.166 1.952 1.00 0.00 N ATOM 413 CA LYS A 28 -0.570 -0.253 1.491 1.00 0.00 C ATOM 414 C LYS A 28 -1.870 -0.926 1.937 1.00 0.00 C ATOM 415 O LYS A 28 -2.160 -1.015 3.114 1.00 0.00 O ATOM 416 CB LYS A 28 0.634 -0.904 2.173 1.00 0.00 C ATOM 417 CG LYS A 28 0.732 -2.370 1.743 1.00 0.00 C ATOM 418 CD LYS A 28 1.997 -2.993 2.337 1.00 0.00 C ATOM 419 CE LYS A 28 1.629 -4.263 3.107 1.00 0.00 C ATOM 420 NZ LYS A 28 2.909 -5.012 3.247 1.00 0.00 N ATOM 0 H LYS A 28 -0.214 1.310 2.902 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.515 -0.342 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.548 -0.373 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.532 -0.837 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.148 -2.918 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.755 -2.440 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.706 -3.229 1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.488 -2.282 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.202 -4.024 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.885 -4.850 2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.803 -5.961 2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.666 -4.501 2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.153 -5.098 4.254 1.00 0.00 H new ATOM 434 N GLU A 29 -2.659 -1.393 1.011 1.00 0.00 N ATOM 435 CA GLU A 29 -3.943 -2.049 1.391 1.00 0.00 C ATOM 436 C GLU A 29 -3.901 -3.545 1.067 1.00 0.00 C ATOM 437 O GLU A 29 -3.977 -3.946 -0.078 1.00 0.00 O ATOM 438 CB GLU A 29 -5.008 -1.349 0.546 1.00 0.00 C ATOM 439 CG GLU A 29 -6.390 -1.893 0.915 1.00 0.00 C ATOM 440 CD GLU A 29 -7.468 -1.074 0.205 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.247 0.108 -0.001 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.498 -1.642 -0.122 1.00 0.00 O ATOM 0 H GLU A 29 -2.472 -1.350 0.009 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.144 -1.966 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.972 -0.273 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.812 -1.512 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.468 -2.942 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.535 -1.846 1.994 1.00 0.00 H new ATOM 449 N SER A 30 -3.789 -4.373 2.069 1.00 0.00 N ATOM 450 CA SER A 30 -3.753 -5.843 1.821 1.00 0.00 C ATOM 451 C SER A 30 -5.123 -6.451 2.123 1.00 0.00 C ATOM 452 O SER A 30 -5.464 -6.710 3.261 1.00 0.00 O ATOM 453 CB SER A 30 -2.696 -6.384 2.782 1.00 0.00 C ATOM 454 OG SER A 30 -2.561 -7.786 2.591 1.00 0.00 O ATOM 0 H SER A 30 -3.721 -4.096 3.048 1.00 0.00 H new ATOM 0 HA SER A 30 -3.515 -6.087 0.786 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.741 -5.888 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.982 -6.172 3.812 1.00 0.00 H new ATOM 0 HG SER A 30 -1.882 -8.136 3.205 1.00 0.00 H new ATOM 460 N TRP A 31 -5.913 -6.675 1.111 1.00 0.00 N ATOM 461 CA TRP A 31 -7.266 -7.260 1.333 1.00 0.00 C ATOM 462 C TRP A 31 -7.157 -8.777 1.531 1.00 0.00 C ATOM 463 O TRP A 31 -6.298 -9.428 0.969 1.00 0.00 O ATOM 464 CB TRP A 31 -8.046 -6.914 0.059 1.00 0.00 C ATOM 465 CG TRP A 31 -9.147 -7.903 -0.166 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.152 -8.163 0.701 1.00 0.00 C ATOM 467 CD2 TRP A 31 -9.364 -8.765 -1.317 1.00 0.00 C ATOM 468 NE1 TRP A 31 -10.975 -9.131 0.153 1.00 0.00 N ATOM 469 CE2 TRP A 31 -10.529 -9.534 -1.092 1.00 0.00 C ATOM 470 CE3 TRP A 31 -8.668 -8.951 -2.524 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -10.989 -10.456 -2.033 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -9.127 -9.878 -3.473 1.00 0.00 C ATOM 473 CH2 TRP A 31 -10.286 -10.629 -3.227 1.00 0.00 C ATOM 0 H TRP A 31 -5.681 -6.478 0.138 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.758 -6.871 2.224 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -8.462 -5.910 0.142 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.372 -6.910 -0.798 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.290 -7.692 1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -11.808 -9.501 0.611 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -7.775 -8.377 -2.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -11.882 -11.032 -1.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -8.585 -10.014 -4.397 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -10.634 -11.341 -3.961 1.00 0.00 H new ATOM 484 N ARG A 32 -8.021 -9.340 2.330 1.00 0.00 N ATOM 485 CA ARG A 32 -7.971 -10.810 2.570 1.00 0.00 C ATOM 486 C ARG A 32 -8.746 -11.555 1.481 1.00 0.00 C ATOM 487 O ARG A 32 -9.875 -11.229 1.174 1.00 0.00 O ATOM 488 CB ARG A 32 -8.636 -11.007 3.934 1.00 0.00 C ATOM 489 CG ARG A 32 -7.810 -11.986 4.770 1.00 0.00 C ATOM 490 CD ARG A 32 -6.496 -11.320 5.183 1.00 0.00 C ATOM 491 NE ARG A 32 -6.445 -11.459 6.665 1.00 0.00 N ATOM 492 CZ ARG A 32 -6.032 -10.464 7.400 1.00 0.00 C ATOM 493 NH1 ARG A 32 -6.836 -9.469 7.662 1.00 0.00 N ATOM 494 NH2 ARG A 32 -4.816 -10.462 7.873 1.00 0.00 N ATOM 0 H ARG A 32 -8.761 -8.845 2.828 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.952 -11.198 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.719 -10.051 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.649 -11.388 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.371 -12.289 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.607 -12.890 4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.642 -11.805 4.711 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.473 -10.272 4.883 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.733 -12.333 7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.786 -9.470 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.514 -8.691 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.188 -11.239 7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.494 -9.683 8.448 1.00 0.00 H new ATOM 508 N GLU A 33 -8.147 -12.556 0.896 1.00 0.00 N ATOM 509 CA GLU A 33 -8.849 -13.324 -0.173 1.00 0.00 C ATOM 510 C GLU A 33 -9.045 -14.778 0.268 1.00 0.00 C ATOM 511 O GLU A 33 -8.212 -15.349 0.944 1.00 0.00 O ATOM 512 CB GLU A 33 -7.926 -13.250 -1.389 1.00 0.00 C ATOM 513 CG GLU A 33 -8.744 -13.466 -2.664 1.00 0.00 C ATOM 514 CD GLU A 33 -7.978 -12.908 -3.864 1.00 0.00 C ATOM 515 OE1 GLU A 33 -6.786 -12.686 -3.731 1.00 0.00 O ATOM 516 OE2 GLU A 33 -8.597 -12.712 -4.897 1.00 0.00 O ATOM 0 H GLU A 33 -7.203 -12.876 1.111 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.838 -12.921 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.429 -12.281 -1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.145 -14.006 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.940 -14.529 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.712 -12.972 -2.576 1.00 0.00 H new ATOM 523 N ALA A 34 -10.141 -15.380 -0.106 1.00 0.00 N ATOM 524 CA ALA A 34 -10.390 -16.795 0.295 1.00 0.00 C ATOM 525 C ALA A 34 -9.281 -17.705 -0.244 1.00 0.00 C ATOM 526 O ALA A 34 -9.095 -18.813 0.219 1.00 0.00 O ATOM 527 CB ALA A 34 -11.734 -17.155 -0.337 1.00 0.00 C ATOM 0 H ALA A 34 -10.875 -14.954 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.402 -16.920 1.378 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.989 -18.185 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.506 -16.487 0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.667 -17.050 -1.420 1.00 0.00 H new ATOM 533 N ARG A 35 -8.543 -17.246 -1.218 1.00 0.00 N ATOM 534 CA ARG A 35 -7.449 -18.087 -1.782 1.00 0.00 C ATOM 535 C ARG A 35 -6.089 -17.591 -1.283 1.00 0.00 C ATOM 536 O ARG A 35 -5.114 -18.314 -1.288 1.00 0.00 O ATOM 537 CB ARG A 35 -7.559 -17.914 -3.297 1.00 0.00 C ATOM 538 CG ARG A 35 -8.508 -18.970 -3.865 1.00 0.00 C ATOM 539 CD ARG A 35 -8.786 -18.665 -5.339 1.00 0.00 C ATOM 540 NE ARG A 35 -7.874 -19.568 -6.095 1.00 0.00 N ATOM 541 CZ ARG A 35 -8.125 -19.851 -7.344 1.00 0.00 C ATOM 542 NH1 ARG A 35 -9.331 -20.193 -7.706 1.00 0.00 N ATOM 543 NH2 ARG A 35 -7.169 -19.794 -8.231 1.00 0.00 N ATOM 0 H ARG A 35 -8.650 -16.327 -1.647 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.535 -19.132 -1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.926 -16.915 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.575 -18.009 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.068 -19.962 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.441 -18.977 -3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.829 -18.855 -5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -8.587 -17.619 -5.570 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.054 -19.965 -5.637 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.078 -20.239 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.527 -20.414 -8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.226 -19.528 -7.948 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.365 -20.015 -9.207 1.00 0.00 H new ATOM 557 N GLY A 36 -6.020 -16.361 -0.851 1.00 0.00 N ATOM 558 CA GLY A 36 -4.725 -15.819 -0.353 1.00 0.00 C ATOM 559 C GLY A 36 -4.924 -14.381 0.128 1.00 0.00 C ATOM 560 O GLY A 36 -5.840 -14.086 0.870 1.00 0.00 O ATOM 0 H GLY A 36 -6.804 -15.709 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.349 -16.437 0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.978 -15.848 -1.146 1.00 0.00 H new ATOM 564 N THR A 37 -4.073 -13.484 -0.288 1.00 0.00 N ATOM 565 CA THR A 37 -4.213 -12.065 0.146 1.00 0.00 C ATOM 566 C THR A 37 -3.768 -11.123 -0.976 1.00 0.00 C ATOM 567 O THR A 37 -2.772 -11.353 -1.633 1.00 0.00 O ATOM 568 CB THR A 37 -3.289 -11.931 1.358 1.00 0.00 C ATOM 569 OG1 THR A 37 -2.257 -12.903 1.273 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.092 -12.148 2.641 1.00 0.00 C ATOM 0 H THR A 37 -3.287 -13.672 -0.910 1.00 0.00 H new ATOM 0 HA THR A 37 -5.244 -11.805 0.388 1.00 0.00 H new ATOM 0 HB THR A 37 -2.850 -10.934 1.372 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.663 -12.818 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.433 -12.052 3.504 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.884 -11.402 2.705 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.533 -13.145 2.630 1.00 0.00 H new ATOM 578 N ARG A 38 -4.497 -10.065 -1.201 1.00 0.00 N ATOM 579 CA ARG A 38 -4.112 -9.111 -2.282 1.00 0.00 C ATOM 580 C ARG A 38 -3.486 -7.852 -1.676 1.00 0.00 C ATOM 581 O ARG A 38 -4.154 -7.058 -1.042 1.00 0.00 O ATOM 582 CB ARG A 38 -5.419 -8.771 -2.998 1.00 0.00 C ATOM 583 CG ARG A 38 -5.255 -9.006 -4.501 1.00 0.00 C ATOM 584 CD ARG A 38 -4.285 -7.972 -5.076 1.00 0.00 C ATOM 585 NE ARG A 38 -4.844 -6.652 -4.672 1.00 0.00 N ATOM 586 CZ ARG A 38 -5.968 -6.231 -5.185 1.00 0.00 C ATOM 587 NH1 ARG A 38 -6.551 -6.910 -6.136 1.00 0.00 N ATOM 588 NH2 ARG A 38 -6.511 -5.128 -4.747 1.00 0.00 N ATOM 0 H ARG A 38 -5.342 -9.819 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.375 -9.535 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.230 -9.387 -2.609 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.690 -7.732 -2.809 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.880 -10.013 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.221 -8.930 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.279 -8.112 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.216 -8.056 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.347 -6.076 -3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.128 -7.772 -6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.429 -6.578 -6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.057 -4.596 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.389 -4.798 -5.147 1.00 0.00 H new ATOM 602 N ILE A 39 -2.209 -7.664 -1.866 1.00 0.00 N ATOM 603 CA ILE A 39 -1.540 -6.457 -1.302 1.00 0.00 C ATOM 604 C ILE A 39 -1.491 -5.341 -2.351 1.00 0.00 C ATOM 605 O ILE A 39 -0.886 -5.482 -3.394 1.00 0.00 O ATOM 606 CB ILE A 39 -0.128 -6.918 -0.939 1.00 0.00 C ATOM 607 CG1 ILE A 39 0.552 -5.852 -0.078 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.686 -7.136 -2.216 1.00 0.00 C ATOM 609 CD1 ILE A 39 2.002 -6.260 0.186 1.00 0.00 C ATOM 0 H ILE A 39 -1.599 -8.294 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.070 -6.056 -0.438 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.186 -7.853 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.521 -4.887 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.018 -5.736 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.692 -7.464 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.204 -7.897 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.743 -6.202 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.488 -5.501 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.021 -7.216 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.532 -6.354 -0.762 1.00 0.00 H new ATOM 621 N GLU A 40 -2.130 -4.235 -2.082 1.00 0.00 N ATOM 622 CA GLU A 40 -2.124 -3.112 -3.064 1.00 0.00 C ATOM 623 C GLU A 40 -1.334 -1.924 -2.507 1.00 0.00 C ATOM 624 O GLU A 40 -1.235 -1.740 -1.311 1.00 0.00 O ATOM 625 CB GLU A 40 -3.597 -2.741 -3.245 1.00 0.00 C ATOM 626 CG GLU A 40 -3.788 -2.051 -4.598 1.00 0.00 C ATOM 627 CD GLU A 40 -4.327 -0.636 -4.378 1.00 0.00 C ATOM 628 OE1 GLU A 40 -3.604 0.171 -3.819 1.00 0.00 O ATOM 629 OE2 GLU A 40 -5.453 -0.385 -4.773 1.00 0.00 O ATOM 0 H GLU A 40 -2.656 -4.060 -1.226 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.653 -3.389 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.218 -3.635 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.918 -2.081 -2.440 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.840 -2.011 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.480 -2.623 -5.216 1.00 0.00 H new ATOM 636 N ARG A 41 -0.774 -1.117 -3.368 1.00 0.00 N ATOM 637 CA ARG A 41 0.008 0.058 -2.888 1.00 0.00 C ATOM 638 C ARG A 41 -0.306 1.286 -3.749 1.00 0.00 C ATOM 639 O ARG A 41 -0.976 1.193 -4.758 1.00 0.00 O ATOM 640 CB ARG A 41 1.474 -0.347 -3.046 1.00 0.00 C ATOM 641 CG ARG A 41 2.314 0.340 -1.967 1.00 0.00 C ATOM 642 CD ARG A 41 3.655 -0.382 -1.827 1.00 0.00 C ATOM 643 NE ARG A 41 3.567 -1.107 -0.527 1.00 0.00 N ATOM 644 CZ ARG A 41 4.434 -0.861 0.416 1.00 0.00 C ATOM 645 NH1 ARG A 41 4.796 0.367 0.665 1.00 0.00 N ATOM 646 NH2 ARG A 41 4.937 -1.844 1.111 1.00 0.00 N ATOM 0 H ARG A 41 -0.824 -1.221 -4.381 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.231 0.321 -1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.574 -1.429 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.835 -0.067 -4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.477 1.385 -2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.782 0.329 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.820 -1.073 -2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.486 0.324 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 41 2.829 -1.795 -0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.401 1.135 0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.474 0.559 1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.652 -2.804 0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.615 -1.652 1.849 1.00 0.00 H new ATOM 660 N GLY A 42 0.175 2.436 -3.361 1.00 0.00 N ATOM 661 CA GLY A 42 -0.096 3.664 -4.159 1.00 0.00 C ATOM 662 C GLY A 42 0.173 4.902 -3.301 1.00 0.00 C ATOM 663 O GLY A 42 1.084 4.926 -2.496 1.00 0.00 O ATOM 0 H GLY A 42 0.744 2.577 -2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.536 3.680 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.130 3.665 -4.504 1.00 0.00 H new ATOM 667 N CYS A 43 -0.613 5.933 -3.465 1.00 0.00 N ATOM 668 CA CYS A 43 -0.400 7.169 -2.658 1.00 0.00 C ATOM 669 C CYS A 43 -1.722 7.923 -2.491 1.00 0.00 C ATOM 670 O CYS A 43 -2.381 8.260 -3.455 1.00 0.00 O ATOM 671 CB CYS A 43 0.595 8.002 -3.465 1.00 0.00 C ATOM 672 SG CYS A 43 2.275 7.411 -3.147 1.00 0.00 S ATOM 0 H CYS A 43 -1.392 5.972 -4.122 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.029 6.951 -1.656 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.368 7.929 -4.529 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.510 9.054 -3.192 1.00 0.00 H new ATOM 677 N ALA A 44 -2.117 8.191 -1.276 1.00 0.00 N ATOM 678 CA ALA A 44 -3.397 8.924 -1.051 1.00 0.00 C ATOM 679 C ALA A 44 -3.270 9.863 0.151 1.00 0.00 C ATOM 680 O ALA A 44 -2.230 9.955 0.772 1.00 0.00 O ATOM 681 CB ALA A 44 -4.433 7.835 -0.774 1.00 0.00 C ATOM 0 H ALA A 44 -1.609 7.934 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.672 9.542 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.406 8.294 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.498 7.167 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.136 7.265 0.107 1.00 0.00 H new ATOM 687 N ALA A 45 -4.321 10.561 0.484 1.00 0.00 N ATOM 688 CA ALA A 45 -4.261 11.493 1.647 1.00 0.00 C ATOM 689 C ALA A 45 -5.342 11.133 2.669 1.00 0.00 C ATOM 690 O ALA A 45 -5.422 11.716 3.732 1.00 0.00 O ATOM 691 CB ALA A 45 -4.521 12.879 1.056 1.00 0.00 C ATOM 0 H ALA A 45 -5.219 10.527 0.001 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.304 11.445 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.493 13.624 1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.754 13.109 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.501 12.893 0.579 1.00 0.00 H new ATOM 697 N THR A 46 -6.172 10.177 2.357 1.00 0.00 N ATOM 698 CA THR A 46 -7.246 9.778 3.312 1.00 0.00 C ATOM 699 C THR A 46 -6.891 8.444 3.974 1.00 0.00 C ATOM 700 O THR A 46 -7.109 8.249 5.153 1.00 0.00 O ATOM 701 CB THR A 46 -8.507 9.634 2.457 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.735 10.845 1.747 1.00 0.00 O ATOM 703 CG2 THR A 46 -9.706 9.334 3.358 1.00 0.00 C ATOM 0 H THR A 46 -6.154 9.654 1.482 1.00 0.00 H new ATOM 0 HA THR A 46 -7.379 10.506 4.112 1.00 0.00 H new ATOM 0 HB THR A 46 -8.376 8.816 1.749 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.541 10.755 1.197 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.603 9.232 2.748 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.529 8.406 3.902 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.841 10.150 4.068 1.00 0.00 H new ATOM 711 N CYS A 47 -6.341 7.530 3.221 1.00 0.00 N ATOM 712 CA CYS A 47 -5.966 6.208 3.800 1.00 0.00 C ATOM 713 C CYS A 47 -7.053 5.723 4.763 1.00 0.00 C ATOM 714 O CYS A 47 -6.947 5.897 5.960 1.00 0.00 O ATOM 715 CB CYS A 47 -4.659 6.469 4.546 1.00 0.00 C ATOM 716 SG CYS A 47 -3.661 4.960 4.569 1.00 0.00 S ATOM 0 H CYS A 47 -6.135 7.642 2.228 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.856 5.435 3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.107 7.275 4.062 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.869 6.794 5.565 1.00 0.00 H new ATOM 721 N PRO A 48 -8.071 5.131 4.198 1.00 0.00 N ATOM 722 CA PRO A 48 -9.201 4.614 5.009 1.00 0.00 C ATOM 723 C PRO A 48 -8.785 3.354 5.775 1.00 0.00 C ATOM 724 O PRO A 48 -7.684 2.862 5.630 1.00 0.00 O ATOM 725 CB PRO A 48 -10.268 4.289 3.967 1.00 0.00 C ATOM 726 CG PRO A 48 -9.513 4.051 2.698 1.00 0.00 C ATOM 727 CD PRO A 48 -8.262 4.887 2.764 1.00 0.00 C ATOM 0 HA PRO A 48 -9.546 5.323 5.762 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.844 3.409 4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.975 5.111 3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.265 2.995 2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.116 4.328 1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.409 4.364 2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.376 5.820 2.212 1.00 0.00 H new ATOM 735 N LYS A 49 -9.660 2.832 6.590 1.00 0.00 N ATOM 736 CA LYS A 49 -9.319 1.605 7.368 1.00 0.00 C ATOM 737 C LYS A 49 -9.805 0.357 6.627 1.00 0.00 C ATOM 738 O LYS A 49 -9.962 0.359 5.423 1.00 0.00 O ATOM 739 CB LYS A 49 -10.059 1.763 8.698 1.00 0.00 C ATOM 740 CG LYS A 49 -9.812 3.165 9.259 1.00 0.00 C ATOM 741 CD LYS A 49 -11.152 3.874 9.468 1.00 0.00 C ATOM 742 CE LYS A 49 -11.412 4.043 10.967 1.00 0.00 C ATOM 743 NZ LYS A 49 -12.415 5.139 11.062 1.00 0.00 N ATOM 0 H LYS A 49 -10.597 3.201 6.752 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.244 1.490 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.127 1.601 8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.716 1.010 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.271 3.100 10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.188 3.738 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.141 4.848 8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.956 3.297 9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.791 3.121 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.496 4.298 11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.645 5.314 12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.024 6.005 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.278 4.865 10.551 1.00 0.00 H new ATOM 757 N GLY A 50 -10.045 -0.711 7.339 1.00 0.00 N ATOM 758 CA GLY A 50 -10.521 -1.958 6.675 1.00 0.00 C ATOM 759 C GLY A 50 -12.041 -2.061 6.808 1.00 0.00 C ATOM 760 O GLY A 50 -12.714 -1.097 7.116 1.00 0.00 O ATOM 0 H GLY A 50 -9.932 -0.774 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.237 -1.953 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.046 -2.828 7.129 1.00 0.00 H new ATOM 764 N SER A 51 -12.590 -3.223 6.578 1.00 0.00 N ATOM 765 CA SER A 51 -14.067 -3.385 6.692 1.00 0.00 C ATOM 766 C SER A 51 -14.412 -4.809 7.135 1.00 0.00 C ATOM 767 O SER A 51 -13.545 -5.588 7.484 1.00 0.00 O ATOM 768 CB SER A 51 -14.604 -3.116 5.287 1.00 0.00 C ATOM 769 OG SER A 51 -14.812 -1.719 5.123 1.00 0.00 O ATOM 0 H SER A 51 -12.080 -4.066 6.316 1.00 0.00 H new ATOM 0 HA SER A 51 -14.500 -2.710 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.899 -3.481 4.540 1.00 0.00 H new ATOM 0 HB3 SER A 51 -15.539 -3.655 5.133 1.00 0.00 H new ATOM 0 HG SER A 51 -14.310 -1.231 5.809 1.00 0.00 H new ATOM 775 N VAL A 52 -15.668 -5.156 7.124 1.00 0.00 N ATOM 776 CA VAL A 52 -16.068 -6.530 7.543 1.00 0.00 C ATOM 777 C VAL A 52 -15.108 -7.565 6.951 1.00 0.00 C ATOM 778 O VAL A 52 -14.819 -8.576 7.559 1.00 0.00 O ATOM 779 CB VAL A 52 -17.475 -6.721 6.980 1.00 0.00 C ATOM 780 CG1 VAL A 52 -18.011 -8.092 7.396 1.00 0.00 C ATOM 781 CG2 VAL A 52 -18.396 -5.627 7.526 1.00 0.00 C ATOM 0 H VAL A 52 -16.437 -4.548 6.843 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.041 -6.656 8.625 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.441 -6.659 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -19.015 -8.227 6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.356 -8.872 7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -18.044 -8.155 8.484 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -19.400 -5.763 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -18.429 -5.688 8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.016 -4.650 7.229 1.00 0.00 H new ATOM 791 N TYR A 53 -14.613 -7.320 5.769 1.00 0.00 N ATOM 792 CA TYR A 53 -13.673 -8.290 5.139 1.00 0.00 C ATOM 793 C TYR A 53 -12.437 -8.479 6.022 1.00 0.00 C ATOM 794 O TYR A 53 -12.261 -9.504 6.650 1.00 0.00 O ATOM 795 CB TYR A 53 -13.287 -7.657 3.801 1.00 0.00 C ATOM 796 CG TYR A 53 -13.785 -8.526 2.671 1.00 0.00 C ATOM 797 CD1 TYR A 53 -13.553 -9.906 2.694 1.00 0.00 C ATOM 798 CD2 TYR A 53 -14.483 -7.951 1.602 1.00 0.00 C ATOM 799 CE1 TYR A 53 -14.015 -10.711 1.647 1.00 0.00 C ATOM 800 CE2 TYR A 53 -14.947 -8.757 0.555 1.00 0.00 C ATOM 801 CZ TYR A 53 -14.712 -10.137 0.577 1.00 0.00 C ATOM 802 OH TYR A 53 -15.169 -10.931 -0.455 1.00 0.00 O ATOM 0 H TYR A 53 -14.819 -6.490 5.212 1.00 0.00 H new ATOM 0 HA TYR A 53 -14.122 -9.275 5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -13.716 -6.658 3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -12.205 -7.545 3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -13.017 -10.350 3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -14.663 -6.886 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.834 -11.776 1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -15.486 -8.314 -0.269 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.633 -10.375 -1.115 1.00 0.00 H new ATOM 812 N GLY A 54 -11.578 -7.498 6.075 1.00 0.00 N ATOM 813 CA GLY A 54 -10.355 -7.623 6.918 1.00 0.00 C ATOM 814 C GLY A 54 -9.116 -7.375 6.059 1.00 0.00 C ATOM 815 O GLY A 54 -8.460 -8.297 5.616 1.00 0.00 O ATOM 0 H GLY A 54 -11.670 -6.616 5.571 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.391 -6.906 7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.308 -8.616 7.364 1.00 0.00 H new ATOM 819 N LEU A 55 -8.787 -6.136 5.820 1.00 0.00 N ATOM 820 CA LEU A 55 -7.588 -5.829 4.989 1.00 0.00 C ATOM 821 C LEU A 55 -6.537 -5.099 5.829 1.00 0.00 C ATOM 822 O LEU A 55 -6.759 -4.780 6.979 1.00 0.00 O ATOM 823 CB LEU A 55 -8.106 -4.924 3.869 1.00 0.00 C ATOM 824 CG LEU A 55 -8.987 -3.827 4.465 1.00 0.00 C ATOM 825 CD1 LEU A 55 -8.718 -2.507 3.742 1.00 0.00 C ATOM 826 CD2 LEU A 55 -10.460 -4.209 4.295 1.00 0.00 C ATOM 0 H LEU A 55 -9.296 -5.322 6.164 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.112 -6.729 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.269 -4.480 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.675 -5.510 3.148 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.759 -3.714 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.347 -1.725 4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.669 -2.234 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.946 -2.620 2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.090 -3.427 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.687 -4.322 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.653 -5.150 4.809 1.00 0.00 H new ATOM 838 N TYR A 56 -5.392 -4.832 5.262 1.00 0.00 N ATOM 839 CA TYR A 56 -4.327 -4.123 6.028 1.00 0.00 C ATOM 840 C TYR A 56 -4.001 -2.783 5.364 1.00 0.00 C ATOM 841 O TYR A 56 -3.486 -2.733 4.266 1.00 0.00 O ATOM 842 CB TYR A 56 -3.116 -5.056 5.974 1.00 0.00 C ATOM 843 CG TYR A 56 -2.398 -5.030 7.302 1.00 0.00 C ATOM 844 CD1 TYR A 56 -2.050 -3.807 7.888 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.077 -6.231 7.948 1.00 0.00 C ATOM 846 CE1 TYR A 56 -1.382 -3.785 9.118 1.00 0.00 C ATOM 847 CE2 TYR A 56 -1.410 -6.208 9.179 1.00 0.00 C ATOM 848 CZ TYR A 56 -1.062 -4.985 9.764 1.00 0.00 C ATOM 849 OH TYR A 56 -0.405 -4.962 10.976 1.00 0.00 O ATOM 0 H TYR A 56 -5.148 -5.074 4.302 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.630 -3.904 7.052 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.437 -6.072 5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.440 -4.745 5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.297 -2.880 7.391 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.344 -7.175 7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.113 -2.841 9.569 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.164 -7.134 9.677 1.00 0.00 H new ATOM 0 HH TYR A 56 -0.261 -5.880 11.287 1.00 0.00 H new ATOM 859 N VAL A 57 -4.298 -1.695 6.022 1.00 0.00 N ATOM 860 CA VAL A 57 -4.005 -0.360 5.426 1.00 0.00 C ATOM 861 C VAL A 57 -2.859 0.320 6.179 1.00 0.00 C ATOM 862 O VAL A 57 -2.974 0.647 7.343 1.00 0.00 O ATOM 863 CB VAL A 57 -5.299 0.438 5.587 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.058 1.891 5.176 1.00 0.00 C ATOM 865 CG2 VAL A 57 -6.385 -0.169 4.697 1.00 0.00 C ATOM 0 H VAL A 57 -4.730 -1.673 6.946 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.697 -0.434 4.383 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.619 0.404 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.981 2.459 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.284 2.324 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.738 1.926 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.308 0.399 4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.064 -0.134 3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.558 -1.205 4.989 1.00 0.00 H new ATOM 875 N LEU A 58 -1.752 0.537 5.521 1.00 0.00 N ATOM 876 CA LEU A 58 -0.598 1.198 6.196 1.00 0.00 C ATOM 877 C LEU A 58 -0.192 2.457 5.425 1.00 0.00 C ATOM 878 O LEU A 58 0.213 2.391 4.282 1.00 0.00 O ATOM 879 CB LEU A 58 0.526 0.163 6.163 1.00 0.00 C ATOM 880 CG LEU A 58 0.336 -0.834 7.306 1.00 0.00 C ATOM 881 CD1 LEU A 58 0.987 -2.168 6.936 1.00 0.00 C ATOM 882 CD2 LEU A 58 0.989 -0.285 8.577 1.00 0.00 C ATOM 0 H LEU A 58 -1.597 0.285 4.545 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.834 1.508 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.525 -0.360 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.493 0.658 6.255 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.729 -0.986 7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.851 -2.878 7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.523 -2.561 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.052 -2.017 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.853 -0.996 9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.054 -0.132 8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.525 0.665 8.843 1.00 0.00 H new ATOM 894 N CYS A 59 -0.300 3.604 6.039 1.00 0.00 N ATOM 895 CA CYS A 59 0.078 4.865 5.331 1.00 0.00 C ATOM 896 C CYS A 59 1.446 5.345 5.825 1.00 0.00 C ATOM 897 O CYS A 59 1.710 5.382 7.009 1.00 0.00 O ATOM 898 CB CYS A 59 -1.001 5.916 5.671 1.00 0.00 C ATOM 899 SG CYS A 59 -2.540 5.133 6.239 1.00 0.00 S ATOM 0 H CYS A 59 -0.632 3.725 6.996 1.00 0.00 H new ATOM 0 HA CYS A 59 0.140 4.706 4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.626 6.587 6.444 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.205 6.526 4.791 1.00 0.00 H new ATOM 904 N CYS A 60 2.315 5.715 4.925 1.00 0.00 N ATOM 905 CA CYS A 60 3.663 6.196 5.347 1.00 0.00 C ATOM 906 C CYS A 60 4.066 7.422 4.520 1.00 0.00 C ATOM 907 O CYS A 60 3.654 7.581 3.386 1.00 0.00 O ATOM 908 CB CYS A 60 4.605 5.019 5.078 1.00 0.00 C ATOM 909 SG CYS A 60 6.323 5.591 5.137 1.00 0.00 S ATOM 0 H CYS A 60 2.152 5.706 3.918 1.00 0.00 H new ATOM 0 HA CYS A 60 3.690 6.501 6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.446 4.236 5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.389 4.583 4.103 1.00 0.00 H new ATOM 914 N THR A 61 4.866 8.292 5.079 1.00 0.00 N ATOM 915 CA THR A 61 5.293 9.505 4.331 1.00 0.00 C ATOM 916 C THR A 61 6.605 10.053 4.904 1.00 0.00 C ATOM 917 O THR A 61 6.604 10.884 5.790 1.00 0.00 O ATOM 918 CB THR A 61 4.159 10.511 4.526 1.00 0.00 C ATOM 919 OG1 THR A 61 4.480 11.722 3.855 1.00 0.00 O ATOM 920 CG2 THR A 61 3.970 10.788 6.019 1.00 0.00 C ATOM 0 H THR A 61 5.241 8.212 6.024 1.00 0.00 H new ATOM 0 HA THR A 61 5.475 9.295 3.277 1.00 0.00 H new ATOM 0 HB THR A 61 3.236 10.101 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.659 12.229 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.161 11.506 6.156 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.722 9.859 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.892 11.197 6.433 1.00 0.00 H new ATOM 928 N THR A 62 7.722 9.599 4.404 1.00 0.00 N ATOM 929 CA THR A 62 9.030 10.100 4.921 1.00 0.00 C ATOM 930 C THR A 62 10.188 9.470 4.138 1.00 0.00 C ATOM 931 O THR A 62 11.139 10.135 3.776 1.00 0.00 O ATOM 932 CB THR A 62 9.069 9.664 6.387 1.00 0.00 C ATOM 933 OG1 THR A 62 10.116 10.355 7.055 1.00 0.00 O ATOM 934 CG2 THR A 62 9.317 8.157 6.469 1.00 0.00 C ATOM 0 H THR A 62 7.787 8.904 3.661 1.00 0.00 H new ATOM 0 HA THR A 62 9.130 11.180 4.815 1.00 0.00 H new ATOM 0 HB THR A 62 8.116 9.898 6.861 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.142 10.079 7.995 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.344 7.849 7.514 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.514 7.628 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.269 7.919 5.996 1.00 0.00 H new ATOM 942 N ASP A 63 10.115 8.193 3.875 1.00 0.00 N ATOM 943 CA ASP A 63 11.212 7.522 3.116 1.00 0.00 C ATOM 944 C ASP A 63 10.852 6.055 2.861 1.00 0.00 C ATOM 945 O ASP A 63 10.161 5.433 3.642 1.00 0.00 O ATOM 946 CB ASP A 63 12.442 7.624 4.019 1.00 0.00 C ATOM 947 CG ASP A 63 13.619 6.899 3.363 1.00 0.00 C ATOM 948 OD1 ASP A 63 13.480 5.720 3.082 1.00 0.00 O ATOM 949 OD2 ASP A 63 14.639 7.535 3.155 1.00 0.00 O ATOM 0 H ASP A 63 9.344 7.585 4.152 1.00 0.00 H new ATOM 0 HA ASP A 63 11.385 7.983 2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.695 8.670 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.228 7.185 4.993 1.00 0.00 H new ATOM 954 N ASP A 64 11.312 5.498 1.773 1.00 0.00 N ATOM 955 CA ASP A 64 10.988 4.067 1.470 1.00 0.00 C ATOM 956 C ASP A 64 9.469 3.872 1.334 1.00 0.00 C ATOM 957 O ASP A 64 8.958 3.704 0.244 1.00 0.00 O ATOM 958 CB ASP A 64 11.523 3.281 2.667 1.00 0.00 C ATOM 959 CG ASP A 64 12.643 2.347 2.206 1.00 0.00 C ATOM 960 OD1 ASP A 64 12.329 1.293 1.678 1.00 0.00 O ATOM 961 OD2 ASP A 64 13.796 2.702 2.386 1.00 0.00 O ATOM 0 H ASP A 64 11.896 5.967 1.081 1.00 0.00 H new ATOM 0 HA ASP A 64 11.430 3.738 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.897 3.966 3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.720 2.704 3.125 1.00 0.00 H new ATOM 966 N CYS A 65 8.735 3.905 2.421 1.00 0.00 N ATOM 967 CA CYS A 65 7.255 3.736 2.317 1.00 0.00 C ATOM 968 C CYS A 65 6.585 5.106 2.229 1.00 0.00 C ATOM 969 O CYS A 65 5.386 5.233 2.371 1.00 0.00 O ATOM 970 CB CYS A 65 6.825 3.008 3.599 1.00 0.00 C ATOM 971 SG CYS A 65 7.427 3.899 5.062 1.00 0.00 S ATOM 0 H CYS A 65 9.094 4.040 3.366 1.00 0.00 H new ATOM 0 HA CYS A 65 6.969 3.174 1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.738 2.930 3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.218 1.991 3.597 1.00 0.00 H new ATOM 976 N ASN A 66 7.353 6.135 2.002 1.00 0.00 N ATOM 977 CA ASN A 66 6.766 7.501 1.912 1.00 0.00 C ATOM 978 C ASN A 66 5.602 7.520 0.917 1.00 0.00 C ATOM 979 O ASN A 66 5.727 6.898 -0.123 1.00 0.00 O ATOM 980 CB ASN A 66 7.906 8.392 1.423 1.00 0.00 C ATOM 981 CG ASN A 66 8.173 8.111 -0.056 1.00 0.00 C ATOM 982 OD1 ASN A 66 8.017 6.996 -0.511 1.00 0.00 O ATOM 983 ND2 ASN A 66 8.571 9.082 -0.831 1.00 0.00 N ATOM 984 OXT ASN A 66 4.606 8.158 1.215 1.00 0.00 O ATOM 0 H ASN A 66 8.364 6.089 1.875 1.00 0.00 H new ATOM 0 HA ASN A 66 6.366 7.839 2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.648 9.442 1.564 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.806 8.204 2.008 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.751 8.905 -1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.702 10.019 -0.449 1.00 0.00 H new TER 991 ASN A 66