USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 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 Set 1.1: A 54 LYS NZ :NH3+ -132:sc= 1.68 (180deg=-0.642) USER MOD Set 1.2: A 66 GLN : amide:sc= -3.82! C(o=-3!,f=-6.1!) USER MOD Set 1.3: A 67 GLN : amide:sc= -0.861 K(o=-3,f=-8.2) USER MOD Set 2.1: A 61 GLN : amide:sc= -2.97 K(o=-6.6,f=-10!) USER MOD Set 2.2: A 68 HIS : no HE2:sc= -3.63 K(o=-6.6,f=-10!) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.128 (180deg=-0.752) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.55! (180deg=-0.184!) USER MOD Single : A 2 GLN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 3 THR OG1 : rot 136:sc= 1.17 USER MOD Single : A 9 SER OG : rot -120:sc= 0.861 USER MOD Single : A 13 TYR OH : rot 180:sc= 0.529 USER MOD Single : A 18 LYS NZ :NH3+ 155:sc= -2.74! (180deg=-5.82!) USER MOD Single : A 23 LYS NZ :NH3+ -116:sc= -2.2! (180deg=-7.66!) USER MOD Single : A 25 SER OG : rot -57:sc= 0.571 USER MOD Single : A 26 ASN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.71 USER MOD Single : A 34 GLN : amide:sc= -0.996! K(o=-1!,f=0) USER MOD Single : A 35 TYR OH : rot -30:sc= 0.959 USER MOD Single : A 44 THR OG1 : rot -123:sc= 0.856 USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= 1.54 (180deg=-0.0569) USER MOD Single : A 49 GLN : amide:sc= 0.0604 X(o=0.06,f=0) USER MOD Single : A 50 GLN : amide:sc= -3.81! C(o=-3.8!,f=-4.6!) USER MOD Single : A 51 LYS NZ :NH3+ -141:sc= 0.736 (180deg=-4.12!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.401 USER MOD Single : A 72 TYR OH : rot 180:sc= 0.779 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 80 LYS NZ :NH3+ -126:sc= -2.04! (180deg=-5.29!) USER MOD Single : A 82 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.285 -2.080 7.102 1.00 2.39 N ATOM 2 CA MET A 1 -8.558 -3.189 6.144 1.00 1.24 C ATOM 3 C MET A 1 -7.216 -3.839 5.775 1.00 1.08 C ATOM 4 O MET A 1 -6.250 -3.693 6.517 1.00 1.20 O ATOM 5 CB MET A 1 -9.240 -2.648 4.873 1.00 1.81 C ATOM 6 CG MET A 1 -8.281 -1.722 4.109 1.00 2.39 C ATOM 7 SD MET A 1 -7.365 -0.496 5.078 1.00 2.91 S ATOM 8 CE MET A 1 -8.719 0.671 5.366 1.00 1.69 C ATOM 0 H1 MET A 1 -9.183 -1.734 7.498 1.00 2.39 H new ATOM 0 H2 MET A 1 -7.678 -2.428 7.872 1.00 2.39 H new ATOM 0 H3 MET A 1 -7.803 -1.303 6.606 1.00 2.39 H new ATOM 0 HA MET A 1 -9.225 -3.919 6.603 1.00 1.24 H new ATOM 0 HB2 MET A 1 -9.543 -3.477 4.233 1.00 1.81 H new ATOM 0 HB3 MET A 1 -10.146 -2.104 5.141 1.00 1.81 H new ATOM 0 HG2 MET A 1 -7.558 -2.345 3.583 1.00 2.39 H new ATOM 0 HG3 MET A 1 -8.857 -1.191 3.351 1.00 2.39 H new ATOM 0 HE1 MET A 1 -8.519 1.245 6.271 1.00 1.69 H new ATOM 0 HE2 MET A 1 -8.801 1.350 4.517 1.00 1.69 H new ATOM 0 HE3 MET A 1 -9.653 0.122 5.484 1.00 1.69 H new ATOM 18 N GLN A 2 -7.179 -4.497 4.624 1.00 0.99 N ATOM 19 CA GLN A 2 -5.933 -5.165 4.154 1.00 0.96 C ATOM 20 C GLN A 2 -5.341 -4.323 3.008 1.00 0.89 C ATOM 21 O GLN A 2 -6.052 -3.552 2.401 1.00 1.47 O ATOM 22 CB GLN A 2 -6.324 -6.544 3.617 1.00 1.11 C ATOM 23 CG GLN A 2 -5.074 -7.394 3.375 1.00 1.92 C ATOM 24 CD GLN A 2 -5.467 -8.689 2.662 1.00 2.91 C ATOM 25 OE1 GLN A 2 -5.088 -9.766 3.060 1.00 3.64 O ATOM 26 NE2 GLN A 2 -6.206 -8.631 1.595 1.00 3.82 N ATOM 0 H GLN A 2 -7.975 -4.593 3.994 1.00 0.99 H new ATOM 0 HA GLN A 2 -5.203 -5.262 4.958 1.00 0.96 H new ATOM 0 HB2 GLN A 2 -6.981 -7.046 4.327 1.00 1.11 H new ATOM 0 HB3 GLN A 2 -6.883 -6.435 2.688 1.00 1.11 H new ATOM 0 HG2 GLN A 2 -4.355 -6.839 2.773 1.00 1.92 H new ATOM 0 HG3 GLN A 2 -4.587 -7.622 4.323 1.00 1.92 H new ATOM 0 HE21 GLN A 2 -6.532 -7.729 1.249 1.00 3.82 H new ATOM 0 HE22 GLN A 2 -6.460 -9.488 1.103 1.00 3.82 H new ATOM 35 N THR A 3 -4.070 -4.432 2.720 1.00 0.79 N ATOM 36 CA THR A 3 -3.504 -3.621 1.587 1.00 0.72 C ATOM 37 C THR A 3 -2.342 -4.380 0.933 1.00 0.64 C ATOM 38 O THR A 3 -1.639 -5.111 1.603 1.00 0.82 O ATOM 39 CB THR A 3 -3.042 -2.258 2.135 1.00 0.78 C ATOM 40 OG1 THR A 3 -4.239 -1.575 2.520 1.00 0.91 O ATOM 41 CG2 THR A 3 -2.425 -1.376 1.042 1.00 0.82 C ATOM 0 H THR A 3 -3.406 -5.034 3.206 1.00 0.79 H new ATOM 0 HA THR A 3 -4.265 -3.455 0.824 1.00 0.72 H new ATOM 0 HB THR A 3 -2.313 -2.424 2.928 1.00 0.78 H new ATOM 0 HG1 THR A 3 -4.107 -1.150 3.393 1.00 0.91 H new ATOM 0 HG21 THR A 3 -2.114 -0.425 1.474 1.00 0.82 H new ATOM 0 HG22 THR A 3 -1.559 -1.880 0.613 1.00 0.82 H new ATOM 0 HG23 THR A 3 -3.163 -1.195 0.261 1.00 0.82 H new ATOM 49 N VAL A 4 -2.137 -4.173 -0.354 1.00 0.44 N ATOM 50 CA VAL A 4 -1.031 -4.903 -1.066 1.00 0.41 C ATOM 51 C VAL A 4 -0.183 -3.940 -1.909 1.00 0.40 C ATOM 52 O VAL A 4 -0.714 -3.089 -2.613 1.00 0.42 O ATOM 53 CB VAL A 4 -1.654 -5.964 -1.995 1.00 0.48 C ATOM 54 CG1 VAL A 4 -0.558 -6.936 -2.451 1.00 0.56 C ATOM 55 CG2 VAL A 4 -2.759 -6.750 -1.267 1.00 0.62 C ATOM 0 H VAL A 4 -2.682 -3.537 -0.936 1.00 0.44 H new ATOM 0 HA VAL A 4 -0.386 -5.369 -0.321 1.00 0.41 H new ATOM 0 HB VAL A 4 -2.096 -5.460 -2.855 1.00 0.48 H new ATOM 0 HG11 VAL A 4 -0.991 -7.690 -3.109 1.00 0.56 H new ATOM 0 HG12 VAL A 4 0.215 -6.387 -2.988 1.00 0.56 H new ATOM 0 HG13 VAL A 4 -0.119 -7.423 -1.581 1.00 0.56 H new ATOM 0 HG21 VAL A 4 -3.183 -7.492 -1.943 1.00 0.62 H new ATOM 0 HG22 VAL A 4 -2.336 -7.252 -0.397 1.00 0.62 H new ATOM 0 HG23 VAL A 4 -3.542 -6.063 -0.945 1.00 0.62 H new ATOM 65 N ILE A 5 1.111 -4.090 -1.809 1.00 0.41 N ATOM 66 CA ILE A 5 2.020 -3.217 -2.616 1.00 0.43 C ATOM 67 C ILE A 5 2.755 -4.128 -3.602 1.00 0.45 C ATOM 68 O ILE A 5 3.462 -5.010 -3.173 1.00 0.51 O ATOM 69 CB ILE A 5 3.033 -2.508 -1.691 1.00 0.46 C ATOM 70 CG1 ILE A 5 2.298 -1.737 -0.570 1.00 0.54 C ATOM 71 CG2 ILE A 5 3.895 -1.532 -2.519 1.00 0.55 C ATOM 72 CD1 ILE A 5 1.535 -0.535 -1.139 1.00 1.72 C ATOM 0 H ILE A 5 1.577 -4.772 -1.210 1.00 0.41 H new ATOM 0 HA ILE A 5 1.455 -2.449 -3.144 1.00 0.43 H new ATOM 0 HB ILE A 5 3.674 -3.260 -1.231 1.00 0.46 H new ATOM 0 HG12 ILE A 5 1.604 -2.404 -0.060 1.00 0.54 H new ATOM 0 HG13 ILE A 5 3.018 -1.396 0.174 1.00 0.54 H new ATOM 0 HG21 ILE A 5 4.609 -1.032 -1.865 1.00 0.55 H new ATOM 0 HG22 ILE A 5 4.433 -2.085 -3.289 1.00 0.55 H new ATOM 0 HG23 ILE A 5 3.252 -0.788 -2.989 1.00 0.55 H new ATOM 0 HD11 ILE A 5 1.027 -0.010 -0.330 1.00 1.72 H new ATOM 0 HD12 ILE A 5 2.235 0.142 -1.628 1.00 1.72 H new ATOM 0 HD13 ILE A 5 0.799 -0.881 -1.865 1.00 1.72 H new ATOM 84 N PHE A 6 2.590 -3.894 -4.880 1.00 0.48 N ATOM 85 CA PHE A 6 3.264 -4.754 -5.895 1.00 0.54 C ATOM 86 C PHE A 6 4.464 -3.997 -6.448 1.00 0.63 C ATOM 87 O PHE A 6 4.281 -3.075 -7.226 1.00 0.63 O ATOM 88 CB PHE A 6 2.313 -5.040 -7.069 1.00 0.64 C ATOM 89 CG PHE A 6 1.075 -5.835 -6.634 1.00 0.58 C ATOM 90 CD1 PHE A 6 0.066 -5.231 -5.908 1.00 0.75 C ATOM 91 CD2 PHE A 6 0.930 -7.162 -7.002 1.00 0.76 C ATOM 92 CE1 PHE A 6 -1.066 -5.938 -5.565 1.00 0.87 C ATOM 93 CE2 PHE A 6 -0.201 -7.868 -6.655 1.00 0.80 C ATOM 94 CZ PHE A 6 -1.200 -7.257 -5.936 1.00 0.77 C ATOM 0 H PHE A 6 2.016 -3.143 -5.263 1.00 0.48 H new ATOM 0 HA PHE A 6 3.562 -5.691 -5.424 1.00 0.54 H new ATOM 0 HB2 PHE A 6 1.998 -4.097 -7.517 1.00 0.64 H new ATOM 0 HB3 PHE A 6 2.847 -5.596 -7.839 1.00 0.64 H new ATOM 0 HD1 PHE A 6 0.165 -4.198 -5.608 1.00 0.75 H new ATOM 0 HD2 PHE A 6 1.711 -7.649 -7.567 1.00 0.76 H new ATOM 0 HE1 PHE A 6 -1.852 -5.455 -5.003 1.00 0.87 H new ATOM 0 HE2 PHE A 6 -0.303 -8.902 -6.948 1.00 0.80 H new ATOM 0 HZ PHE A 6 -2.087 -7.809 -5.663 1.00 0.77 H new ATOM 104 N GLY A 7 5.648 -4.357 -6.020 1.00 0.87 N ATOM 105 CA GLY A 7 6.866 -3.647 -6.537 1.00 1.02 C ATOM 106 C GLY A 7 8.012 -4.635 -6.785 1.00 1.11 C ATOM 107 O GLY A 7 7.770 -5.780 -7.088 1.00 1.24 O ATOM 0 H GLY A 7 5.827 -5.100 -5.345 1.00 0.87 H new ATOM 0 HA2 GLY A 7 6.623 -3.127 -7.463 1.00 1.02 H new ATOM 0 HA3 GLY A 7 7.182 -2.890 -5.820 1.00 1.02 H new ATOM 111 N ARG A 8 9.236 -4.180 -6.648 1.00 1.14 N ATOM 112 CA ARG A 8 10.414 -5.081 -6.885 1.00 1.34 C ATOM 113 C ARG A 8 11.281 -5.135 -5.605 1.00 1.61 C ATOM 114 O ARG A 8 10.744 -5.066 -4.516 1.00 2.54 O ATOM 115 CB ARG A 8 11.232 -4.533 -8.081 1.00 1.47 C ATOM 116 CG ARG A 8 10.288 -4.109 -9.227 1.00 1.96 C ATOM 117 CD ARG A 8 11.090 -3.817 -10.512 1.00 2.71 C ATOM 118 NE ARG A 8 10.269 -2.934 -11.404 1.00 4.50 N ATOM 119 CZ ARG A 8 10.024 -3.269 -12.640 1.00 6.08 C ATOM 120 NH1 ARG A 8 10.856 -2.908 -13.571 1.00 6.83 N ATOM 121 NH2 ARG A 8 8.947 -3.942 -12.889 1.00 7.34 N ATOM 0 H ARG A 8 9.472 -3.224 -6.382 1.00 1.14 H new ATOM 0 HA ARG A 8 10.079 -6.092 -7.120 1.00 1.34 H new ATOM 0 HB2 ARG A 8 11.831 -3.681 -7.760 1.00 1.47 H new ATOM 0 HB3 ARG A 8 11.926 -5.295 -8.435 1.00 1.47 H new ATOM 0 HG2 ARG A 8 9.561 -4.899 -9.417 1.00 1.96 H new ATOM 0 HG3 ARG A 8 9.726 -3.222 -8.933 1.00 1.96 H new ATOM 0 HD2 ARG A 8 12.034 -3.331 -10.265 1.00 2.71 H new ATOM 0 HD3 ARG A 8 11.335 -4.748 -11.024 1.00 2.71 H new ATOM 0 HE ARG A 8 9.897 -2.058 -11.038 1.00 4.50 H new ATOM 0 HH11 ARG A 8 11.688 -2.369 -13.330 1.00 6.83 H new ATOM 0 HH12 ARG A 8 10.677 -3.163 -14.542 1.00 6.83 H new ATOM 0 HH21 ARG A 8 8.317 -4.196 -12.128 1.00 7.34 H new ATOM 0 HH22 ARG A 8 8.728 -4.218 -13.846 1.00 7.34 H new ATOM 135 N SER A 9 12.588 -5.227 -5.743 1.00 2.19 N ATOM 136 CA SER A 9 13.470 -5.283 -4.526 1.00 2.45 C ATOM 137 C SER A 9 14.435 -4.093 -4.458 1.00 2.29 C ATOM 138 O SER A 9 15.602 -4.229 -4.787 1.00 2.97 O ATOM 139 CB SER A 9 14.292 -6.568 -4.562 1.00 2.95 C ATOM 140 OG SER A 9 13.324 -7.596 -4.685 1.00 3.42 O ATOM 0 H SER A 9 13.078 -5.265 -6.637 1.00 2.19 H new ATOM 0 HA SER A 9 12.823 -5.251 -3.649 1.00 2.45 H new ATOM 0 HB2 SER A 9 14.987 -6.573 -5.402 1.00 2.95 H new ATOM 0 HB3 SER A 9 14.886 -6.686 -3.656 1.00 2.95 H new ATOM 0 HG SER A 9 13.392 -8.203 -3.918 1.00 3.42 H new ATOM 146 N GLY A 10 13.933 -2.963 -4.055 1.00 2.14 N ATOM 147 CA GLY A 10 14.824 -1.768 -3.950 1.00 2.40 C ATOM 148 C GLY A 10 14.395 -0.680 -4.922 1.00 2.15 C ATOM 149 O GLY A 10 15.223 -0.084 -5.592 1.00 2.48 O ATOM 0 H GLY A 10 12.958 -2.811 -3.796 1.00 2.14 H new ATOM 0 HA2 GLY A 10 14.800 -1.381 -2.931 1.00 2.40 H new ATOM 0 HA3 GLY A 10 15.854 -2.059 -4.156 1.00 2.40 H new ATOM 153 N CYS A 11 13.114 -0.456 -4.978 1.00 1.86 N ATOM 154 CA CYS A 11 12.575 0.600 -5.871 1.00 1.84 C ATOM 155 C CYS A 11 12.059 1.739 -4.978 1.00 1.84 C ATOM 156 O CYS A 11 11.012 1.616 -4.378 1.00 2.13 O ATOM 157 CB CYS A 11 11.428 0.016 -6.712 1.00 1.82 C ATOM 158 SG CYS A 11 10.659 -1.511 -6.118 1.00 1.93 S ATOM 0 H CYS A 11 12.413 -0.964 -4.439 1.00 1.86 H new ATOM 0 HA CYS A 11 13.342 0.974 -6.550 1.00 1.84 H new ATOM 0 HB2 CYS A 11 10.650 0.775 -6.796 1.00 1.82 H new ATOM 0 HB3 CYS A 11 11.806 -0.166 -7.718 1.00 1.82 H new ATOM 163 N PRO A 12 12.836 2.809 -4.859 1.00 1.83 N ATOM 164 CA PRO A 12 12.507 3.959 -3.968 1.00 1.82 C ATOM 165 C PRO A 12 10.997 4.212 -3.852 1.00 1.68 C ATOM 166 O PRO A 12 10.503 4.579 -2.806 1.00 1.96 O ATOM 167 CB PRO A 12 13.253 5.127 -4.615 1.00 2.17 C ATOM 168 CG PRO A 12 14.475 4.487 -5.316 1.00 2.24 C ATOM 169 CD PRO A 12 14.069 3.041 -5.662 1.00 2.09 C ATOM 0 HA PRO A 12 12.808 3.787 -2.935 1.00 1.82 H new ATOM 0 HB2 PRO A 12 12.619 5.652 -5.330 1.00 2.17 H new ATOM 0 HB3 PRO A 12 13.565 5.857 -3.868 1.00 2.17 H new ATOM 0 HG2 PRO A 12 14.741 5.042 -6.216 1.00 2.24 H new ATOM 0 HG3 PRO A 12 15.348 4.500 -4.664 1.00 2.24 H new ATOM 0 HD2 PRO A 12 13.878 2.925 -6.729 1.00 2.09 H new ATOM 0 HD3 PRO A 12 14.855 2.333 -5.400 1.00 2.09 H new ATOM 177 N TYR A 13 10.304 3.979 -4.937 1.00 1.81 N ATOM 178 CA TYR A 13 8.825 4.184 -4.948 1.00 1.85 C ATOM 179 C TYR A 13 8.132 3.031 -4.201 1.00 1.62 C ATOM 180 O TYR A 13 7.373 3.269 -3.280 1.00 1.64 O ATOM 181 CB TYR A 13 8.358 4.235 -6.408 1.00 2.15 C ATOM 182 CG TYR A 13 6.993 4.934 -6.513 1.00 2.48 C ATOM 183 CD1 TYR A 13 5.877 4.462 -5.837 1.00 3.05 C ATOM 184 CD2 TYR A 13 6.861 6.053 -7.309 1.00 2.95 C ATOM 185 CE1 TYR A 13 4.662 5.105 -5.960 1.00 3.69 C ATOM 186 CE2 TYR A 13 5.647 6.689 -7.434 1.00 3.57 C ATOM 187 CZ TYR A 13 4.539 6.222 -6.763 1.00 3.82 C ATOM 188 OH TYR A 13 3.326 6.861 -6.899 1.00 4.62 O ATOM 0 H TYR A 13 10.701 3.654 -5.819 1.00 1.81 H new ATOM 0 HA TYR A 13 8.567 5.117 -4.446 1.00 1.85 H new ATOM 0 HB2 TYR A 13 9.093 4.767 -7.013 1.00 2.15 H new ATOM 0 HB3 TYR A 13 8.287 3.224 -6.809 1.00 2.15 H new ATOM 0 HD1 TYR A 13 5.960 3.586 -5.211 1.00 3.05 H new ATOM 0 HD2 TYR A 13 7.720 6.434 -7.840 1.00 2.95 H new ATOM 0 HE1 TYR A 13 3.801 4.732 -5.425 1.00 3.69 H new ATOM 0 HE2 TYR A 13 5.563 7.562 -8.064 1.00 3.57 H new ATOM 0 HH TYR A 13 3.426 7.628 -7.501 1.00 4.62 H new ATOM 198 N CYS A 14 8.391 1.802 -4.608 1.00 1.59 N ATOM 199 CA CYS A 14 7.742 0.655 -3.897 1.00 1.46 C ATOM 200 C CYS A 14 8.069 0.806 -2.413 1.00 1.09 C ATOM 201 O CYS A 14 7.226 0.629 -1.544 1.00 1.11 O ATOM 202 CB CYS A 14 8.276 -0.682 -4.435 1.00 1.54 C ATOM 203 SG CYS A 14 10.039 -1.055 -4.250 1.00 2.51 S ATOM 0 H CYS A 14 9.008 1.553 -5.381 1.00 1.59 H new ATOM 0 HA CYS A 14 6.664 0.660 -4.056 1.00 1.46 H new ATOM 0 HB2 CYS A 14 7.717 -1.481 -3.948 1.00 1.54 H new ATOM 0 HB3 CYS A 14 8.038 -0.729 -5.498 1.00 1.54 H new ATOM 208 N VAL A 15 9.293 1.184 -2.172 1.00 0.90 N ATOM 209 CA VAL A 15 9.744 1.413 -0.777 1.00 0.64 C ATOM 210 C VAL A 15 8.871 2.525 -0.181 1.00 0.60 C ATOM 211 O VAL A 15 8.250 2.352 0.839 1.00 0.64 O ATOM 212 CB VAL A 15 11.219 1.829 -0.787 1.00 0.89 C ATOM 213 CG1 VAL A 15 11.693 2.111 0.645 1.00 1.01 C ATOM 214 CG2 VAL A 15 12.036 0.668 -1.363 1.00 1.00 C ATOM 0 H VAL A 15 10.002 1.344 -2.887 1.00 0.90 H new ATOM 0 HA VAL A 15 9.648 0.508 -0.177 1.00 0.64 H new ATOM 0 HB VAL A 15 11.347 2.730 -1.387 1.00 0.89 H new ATOM 0 HG11 VAL A 15 12.742 2.406 0.630 1.00 1.01 H new ATOM 0 HG12 VAL A 15 11.096 2.916 1.074 1.00 1.01 H new ATOM 0 HG13 VAL A 15 11.578 1.212 1.250 1.00 1.01 H new ATOM 0 HG21 VAL A 15 13.091 0.940 -1.381 1.00 1.00 H new ATOM 0 HG22 VAL A 15 11.899 -0.217 -0.741 1.00 1.00 H new ATOM 0 HG23 VAL A 15 11.699 0.454 -2.377 1.00 1.00 H new ATOM 224 N ARG A 16 8.829 3.647 -0.856 1.00 0.67 N ATOM 225 CA ARG A 16 8.007 4.785 -0.389 1.00 0.77 C ATOM 226 C ARG A 16 6.607 4.301 0.016 1.00 0.74 C ATOM 227 O ARG A 16 6.114 4.615 1.089 1.00 1.21 O ATOM 228 CB ARG A 16 7.952 5.785 -1.546 1.00 1.02 C ATOM 229 CG ARG A 16 6.951 6.899 -1.274 1.00 2.12 C ATOM 230 CD ARG A 16 7.426 7.789 -0.126 1.00 2.17 C ATOM 231 NE ARG A 16 7.285 7.050 1.163 1.00 2.24 N ATOM 232 CZ ARG A 16 7.946 7.463 2.187 1.00 2.45 C ATOM 233 NH1 ARG A 16 7.418 8.427 2.854 1.00 3.28 N ATOM 234 NH2 ARG A 16 9.092 6.929 2.484 1.00 3.26 N ATOM 0 H ARG A 16 9.340 3.816 -1.722 1.00 0.67 H new ATOM 0 HA ARG A 16 8.436 5.257 0.495 1.00 0.77 H new ATOM 0 HB2 ARG A 16 8.941 6.214 -1.705 1.00 1.02 H new ATOM 0 HB3 ARG A 16 7.679 5.266 -2.465 1.00 1.02 H new ATOM 0 HG2 ARG A 16 6.816 7.500 -2.173 1.00 2.12 H new ATOM 0 HG3 ARG A 16 5.980 6.469 -1.029 1.00 2.12 H new ATOM 0 HD2 ARG A 16 8.466 8.078 -0.281 1.00 2.17 H new ATOM 0 HD3 ARG A 16 6.841 8.708 -0.097 1.00 2.17 H new ATOM 0 HE ARG A 16 6.677 6.234 1.231 1.00 2.24 H new ATOM 0 HH11 ARG A 16 6.524 8.820 2.561 1.00 3.28 H new ATOM 0 HH12 ARG A 16 7.894 8.799 3.676 1.00 3.28 H new ATOM 0 HH21 ARG A 16 9.471 6.180 1.905 1.00 3.26 H new ATOM 0 HH22 ARG A 16 9.613 7.259 3.296 1.00 3.26 H new ATOM 248 N ALA A 17 5.971 3.583 -0.865 1.00 0.70 N ATOM 249 CA ALA A 17 4.611 3.064 -0.534 1.00 0.62 C ATOM 250 C ALA A 17 4.710 2.207 0.733 1.00 0.60 C ATOM 251 O ALA A 17 3.879 2.305 1.615 1.00 0.65 O ATOM 252 CB ALA A 17 4.081 2.243 -1.703 1.00 0.65 C ATOM 0 H ALA A 17 6.325 3.334 -1.788 1.00 0.70 H new ATOM 0 HA ALA A 17 3.921 3.889 -0.356 1.00 0.62 H new ATOM 0 HB1 ALA A 17 3.088 1.864 -1.461 1.00 0.65 H new ATOM 0 HB2 ALA A 17 4.023 2.871 -2.592 1.00 0.65 H new ATOM 0 HB3 ALA A 17 4.752 1.406 -1.893 1.00 0.65 H new ATOM 258 N LYS A 18 5.722 1.377 0.797 1.00 0.58 N ATOM 259 CA LYS A 18 5.888 0.546 2.022 1.00 0.60 C ATOM 260 C LYS A 18 5.872 1.496 3.218 1.00 0.65 C ATOM 261 O LYS A 18 5.191 1.236 4.181 1.00 0.73 O ATOM 262 CB LYS A 18 7.206 -0.260 1.930 1.00 0.63 C ATOM 263 CG LYS A 18 7.961 -0.319 3.275 1.00 1.20 C ATOM 264 CD LYS A 18 9.131 0.683 3.234 1.00 1.76 C ATOM 265 CE LYS A 18 9.777 0.847 4.612 1.00 2.51 C ATOM 266 NZ LYS A 18 8.835 1.515 5.548 1.00 2.76 N ATOM 0 H LYS A 18 6.424 1.242 0.070 1.00 0.58 H new ATOM 0 HA LYS A 18 5.083 -0.181 2.131 1.00 0.60 H new ATOM 0 HB2 LYS A 18 6.985 -1.274 1.597 1.00 0.63 H new ATOM 0 HB3 LYS A 18 7.851 0.190 1.175 1.00 0.63 H new ATOM 0 HG2 LYS A 18 7.287 -0.078 4.097 1.00 1.20 H new ATOM 0 HG3 LYS A 18 8.334 -1.327 3.454 1.00 1.20 H new ATOM 0 HD2 LYS A 18 9.879 0.342 2.519 1.00 1.76 H new ATOM 0 HD3 LYS A 18 8.771 1.650 2.882 1.00 1.76 H new ATOM 0 HE2 LYS A 18 10.061 -0.129 5.006 1.00 2.51 H new ATOM 0 HE3 LYS A 18 10.691 1.434 4.525 1.00 2.51 H new ATOM 0 HZ1 LYS A 18 9.075 1.255 6.526 1.00 2.76 H new ATOM 0 HZ2 LYS A 18 8.908 2.546 5.436 1.00 2.76 H new ATOM 0 HZ3 LYS A 18 7.863 1.212 5.337 1.00 2.76 H new ATOM 280 N ASP A 19 6.629 2.563 3.147 1.00 0.68 N ATOM 281 CA ASP A 19 6.621 3.526 4.279 1.00 0.82 C ATOM 282 C ASP A 19 5.183 3.931 4.570 1.00 0.82 C ATOM 283 O ASP A 19 4.753 3.851 5.690 1.00 0.85 O ATOM 284 CB ASP A 19 7.457 4.743 3.916 1.00 0.99 C ATOM 285 CG ASP A 19 8.889 4.296 3.661 1.00 1.73 C ATOM 286 OD1 ASP A 19 9.523 3.949 4.640 1.00 2.74 O ATOM 287 OD2 ASP A 19 9.269 4.313 2.502 1.00 2.93 O ATOM 0 H ASP A 19 7.241 2.802 2.367 1.00 0.68 H new ATOM 0 HA ASP A 19 7.050 3.066 5.169 1.00 0.82 H new ATOM 0 HB2 ASP A 19 7.050 5.230 3.030 1.00 0.99 H new ATOM 0 HB3 ASP A 19 7.428 5.475 4.723 1.00 0.99 H new ATOM 292 N LEU A 20 4.464 4.338 3.553 1.00 0.83 N ATOM 293 CA LEU A 20 3.034 4.732 3.783 1.00 0.88 C ATOM 294 C LEU A 20 2.275 3.598 4.486 1.00 0.77 C ATOM 295 O LEU A 20 1.753 3.787 5.570 1.00 0.81 O ATOM 296 CB LEU A 20 2.354 5.060 2.441 1.00 0.97 C ATOM 297 CG LEU A 20 0.835 5.316 2.602 1.00 1.16 C ATOM 298 CD1 LEU A 20 0.538 6.204 3.824 1.00 1.34 C ATOM 299 CD2 LEU A 20 0.333 6.045 1.346 1.00 1.26 C ATOM 0 H LEU A 20 4.794 4.415 2.591 1.00 0.83 H new ATOM 0 HA LEU A 20 3.015 5.617 4.419 1.00 0.88 H new ATOM 0 HB2 LEU A 20 2.825 5.940 2.003 1.00 0.97 H new ATOM 0 HB3 LEU A 20 2.510 4.235 1.745 1.00 0.97 H new ATOM 0 HG LEU A 20 0.336 4.357 2.740 1.00 1.16 H new ATOM 0 HD11 LEU A 20 -0.537 6.363 3.906 1.00 1.34 H new ATOM 0 HD12 LEU A 20 0.902 5.714 4.727 1.00 1.34 H new ATOM 0 HD13 LEU A 20 1.038 7.165 3.706 1.00 1.34 H new ATOM 0 HD21 LEU A 20 -0.736 6.235 1.439 1.00 1.26 H new ATOM 0 HD22 LEU A 20 0.862 6.992 1.239 1.00 1.26 H new ATOM 0 HD23 LEU A 20 0.516 5.426 0.468 1.00 1.26 H new ATOM 311 N ALA A 21 2.244 2.439 3.882 1.00 0.68 N ATOM 312 CA ALA A 21 1.510 1.308 4.525 1.00 0.63 C ATOM 313 C ALA A 21 1.993 1.131 5.967 1.00 0.64 C ATOM 314 O ALA A 21 1.191 1.121 6.889 1.00 0.69 O ATOM 315 CB ALA A 21 1.735 0.014 3.732 1.00 0.65 C ATOM 0 H ALA A 21 2.686 2.228 2.987 1.00 0.68 H new ATOM 0 HA ALA A 21 0.444 1.534 4.531 1.00 0.63 H new ATOM 0 HB1 ALA A 21 1.195 -0.804 4.210 1.00 0.65 H new ATOM 0 HB2 ALA A 21 1.370 0.144 2.713 1.00 0.65 H new ATOM 0 HB3 ALA A 21 2.800 -0.218 3.709 1.00 0.65 H new ATOM 321 N GLU A 22 3.287 1.018 6.138 1.00 0.70 N ATOM 322 CA GLU A 22 3.852 0.848 7.500 1.00 0.85 C ATOM 323 C GLU A 22 3.334 1.952 8.426 1.00 0.94 C ATOM 324 O GLU A 22 2.910 1.696 9.545 1.00 1.00 O ATOM 325 CB GLU A 22 5.377 0.918 7.385 1.00 1.00 C ATOM 326 CG GLU A 22 5.954 -0.490 7.171 1.00 1.86 C ATOM 327 CD GLU A 22 7.480 -0.431 7.089 1.00 1.88 C ATOM 328 OE1 GLU A 22 8.060 0.181 7.971 1.00 2.34 O ATOM 329 OE2 GLU A 22 8.002 -0.979 6.139 1.00 2.91 O ATOM 0 H GLU A 22 3.975 1.037 5.385 1.00 0.70 H new ATOM 0 HA GLU A 22 3.550 -0.111 7.922 1.00 0.85 H new ATOM 0 HB2 GLU A 22 5.658 1.565 6.554 1.00 1.00 H new ATOM 0 HB3 GLU A 22 5.798 1.359 8.289 1.00 1.00 H new ATOM 0 HG2 GLU A 22 5.652 -1.143 7.990 1.00 1.86 H new ATOM 0 HG3 GLU A 22 5.550 -0.921 6.255 1.00 1.86 H new ATOM 336 N LYS A 23 3.425 3.172 7.966 1.00 1.04 N ATOM 337 CA LYS A 23 2.929 4.305 8.800 1.00 1.20 C ATOM 338 C LYS A 23 1.529 3.969 9.306 1.00 1.01 C ATOM 339 O LYS A 23 1.312 3.869 10.494 1.00 1.10 O ATOM 340 CB LYS A 23 2.876 5.595 7.969 1.00 1.41 C ATOM 341 CG LYS A 23 2.574 6.784 8.901 1.00 1.71 C ATOM 342 CD LYS A 23 2.647 8.110 8.127 1.00 3.02 C ATOM 343 CE LYS A 23 1.407 8.288 7.241 1.00 4.63 C ATOM 344 NZ LYS A 23 0.184 8.504 8.063 1.00 5.07 N ATOM 0 H LYS A 23 3.816 3.431 7.060 1.00 1.04 H new ATOM 0 HA LYS A 23 3.606 4.458 9.640 1.00 1.20 H new ATOM 0 HB2 LYS A 23 3.825 5.751 7.456 1.00 1.41 H new ATOM 0 HB3 LYS A 23 2.108 5.515 7.200 1.00 1.41 H new ATOM 0 HG2 LYS A 23 1.583 6.667 9.340 1.00 1.71 H new ATOM 0 HG3 LYS A 23 3.288 6.798 9.725 1.00 1.71 H new ATOM 0 HD2 LYS A 23 2.723 8.942 8.827 1.00 3.02 H new ATOM 0 HD3 LYS A 23 3.546 8.129 7.511 1.00 3.02 H new ATOM 0 HE2 LYS A 23 1.553 9.136 6.572 1.00 4.63 H new ATOM 0 HE3 LYS A 23 1.276 7.406 6.614 1.00 4.63 H new ATOM 0 HZ1 LYS A 23 -0.476 7.714 7.917 1.00 5.07 H new ATOM 0 HZ2 LYS A 23 0.446 8.555 9.068 1.00 5.07 H new ATOM 0 HZ3 LYS A 23 -0.273 9.394 7.778 1.00 5.07 H new ATOM 358 N LEU A 24 0.623 3.774 8.387 1.00 0.86 N ATOM 359 CA LEU A 24 -0.774 3.444 8.784 1.00 0.75 C ATOM 360 C LEU A 24 -0.811 2.337 9.824 1.00 0.64 C ATOM 361 O LEU A 24 -1.353 2.519 10.890 1.00 0.71 O ATOM 362 CB LEU A 24 -1.543 2.983 7.546 1.00 0.70 C ATOM 363 CG LEU A 24 -1.804 4.179 6.641 1.00 1.00 C ATOM 364 CD1 LEU A 24 -2.240 3.645 5.273 1.00 1.05 C ATOM 365 CD2 LEU A 24 -2.942 5.005 7.244 1.00 1.42 C ATOM 0 H LEU A 24 0.789 3.829 7.382 1.00 0.86 H new ATOM 0 HA LEU A 24 -1.227 4.336 9.216 1.00 0.75 H new ATOM 0 HB2 LEU A 24 -0.972 2.225 7.010 1.00 0.70 H new ATOM 0 HB3 LEU A 24 -2.486 2.522 7.840 1.00 0.70 H new ATOM 0 HG LEU A 24 -0.912 4.798 6.542 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -2.435 4.481 4.601 1.00 1.05 H new ATOM 0 HD12 LEU A 24 -1.449 3.022 4.857 1.00 1.05 H new ATOM 0 HD13 LEU A 24 -3.147 3.052 5.386 1.00 1.05 H new ATOM 0 HD21 LEU A 24 -3.143 5.867 6.608 1.00 1.42 H new ATOM 0 HD22 LEU A 24 -3.839 4.390 7.316 1.00 1.42 H new ATOM 0 HD23 LEU A 24 -2.656 5.347 8.239 1.00 1.42 H new ATOM 377 N SER A 25 -0.259 1.209 9.483 1.00 0.60 N ATOM 378 CA SER A 25 -0.252 0.069 10.446 1.00 0.63 C ATOM 379 C SER A 25 0.054 0.557 11.871 1.00 0.89 C ATOM 380 O SER A 25 -0.470 0.026 12.827 1.00 1.08 O ATOM 381 CB SER A 25 0.782 -0.946 9.974 1.00 0.77 C ATOM 382 OG SER A 25 0.293 -1.329 8.692 1.00 1.38 O ATOM 0 H SER A 25 0.187 1.024 8.584 1.00 0.60 H new ATOM 0 HA SER A 25 -1.236 -0.399 10.477 1.00 0.63 H new ATOM 0 HB2 SER A 25 1.778 -0.508 9.912 1.00 0.77 H new ATOM 0 HB3 SER A 25 0.850 -1.798 10.651 1.00 0.77 H new ATOM 0 HG SER A 25 -0.619 -1.678 8.780 1.00 1.38 H new ATOM 388 N ASN A 26 0.884 1.568 11.971 1.00 1.04 N ATOM 389 CA ASN A 26 1.235 2.129 13.312 1.00 1.35 C ATOM 390 C ASN A 26 0.231 3.215 13.720 1.00 1.34 C ATOM 391 O ASN A 26 -0.098 3.331 14.886 1.00 1.64 O ATOM 392 CB ASN A 26 2.636 2.744 13.254 1.00 1.69 C ATOM 393 CG ASN A 26 3.683 1.633 13.257 1.00 2.00 C ATOM 394 OD1 ASN A 26 4.213 1.278 14.286 1.00 2.36 O ATOM 395 ND2 ASN A 26 3.993 1.036 12.149 1.00 3.00 N ATOM 0 H ASN A 26 1.334 2.029 11.180 1.00 1.04 H new ATOM 0 HA ASN A 26 1.207 1.323 14.046 1.00 1.35 H new ATOM 0 HB2 ASN A 26 2.740 3.353 12.356 1.00 1.69 H new ATOM 0 HB3 ASN A 26 2.790 3.405 14.107 1.00 1.69 H new ATOM 0 HD21 ASN A 26 4.675 0.278 12.152 1.00 3.00 H new ATOM 0 HD22 ASN A 26 3.555 1.324 11.274 1.00 3.00 H new ATOM 402 N GLU A 27 -0.230 3.981 12.757 1.00 1.46 N ATOM 403 CA GLU A 27 -1.208 5.072 13.055 1.00 1.56 C ATOM 404 C GLU A 27 -2.647 4.657 12.733 1.00 1.75 C ATOM 405 O GLU A 27 -3.498 5.480 12.442 1.00 2.71 O ATOM 406 CB GLU A 27 -0.869 6.301 12.213 1.00 1.68 C ATOM 407 CG GLU A 27 -1.024 6.037 10.722 1.00 2.89 C ATOM 408 CD GLU A 27 -1.318 7.347 9.979 1.00 3.22 C ATOM 409 OE1 GLU A 27 -0.845 8.382 10.428 1.00 3.06 O ATOM 410 OE2 GLU A 27 -1.964 7.242 8.951 1.00 4.40 O ATOM 0 H GLU A 27 0.032 3.895 11.775 1.00 1.46 H new ATOM 0 HA GLU A 27 -1.138 5.290 14.121 1.00 1.56 H new ATOM 0 HB2 GLU A 27 -1.517 7.128 12.503 1.00 1.68 H new ATOM 0 HB3 GLU A 27 0.155 6.611 12.421 1.00 1.68 H new ATOM 0 HG2 GLU A 27 -0.114 5.584 10.329 1.00 2.89 H new ATOM 0 HG3 GLU A 27 -1.832 5.326 10.553 1.00 2.89 H new ATOM 417 N ARG A 28 -2.877 3.391 12.726 1.00 1.23 N ATOM 418 CA ARG A 28 -4.249 2.889 12.446 1.00 1.43 C ATOM 419 C ARG A 28 -4.566 1.770 13.416 1.00 1.31 C ATOM 420 O ARG A 28 -3.723 1.355 14.182 1.00 1.91 O ATOM 421 CB ARG A 28 -4.346 2.340 11.017 1.00 1.71 C ATOM 422 CG ARG A 28 -5.632 2.841 10.344 1.00 2.17 C ATOM 423 CD ARG A 28 -5.262 3.962 9.366 1.00 2.44 C ATOM 424 NE ARG A 28 -4.841 5.198 10.101 1.00 2.79 N ATOM 425 CZ ARG A 28 -5.435 6.326 9.834 1.00 3.35 C ATOM 426 NH1 ARG A 28 -6.669 6.470 10.199 1.00 3.55 N ATOM 427 NH2 ARG A 28 -4.797 7.258 9.193 1.00 4.53 N ATOM 0 H ARG A 28 -2.177 2.670 12.902 1.00 1.23 H new ATOM 0 HA ARG A 28 -4.954 3.713 12.558 1.00 1.43 H new ATOM 0 HB2 ARG A 28 -3.477 2.655 10.439 1.00 1.71 H new ATOM 0 HB3 ARG A 28 -4.338 1.250 11.037 1.00 1.71 H new ATOM 0 HG2 ARG A 28 -6.126 2.025 9.816 1.00 2.17 H new ATOM 0 HG3 ARG A 28 -6.334 3.208 11.093 1.00 2.17 H new ATOM 0 HD2 ARG A 28 -4.454 3.629 8.714 1.00 2.44 H new ATOM 0 HD3 ARG A 28 -6.115 4.188 8.726 1.00 2.44 H new ATOM 0 HE ARG A 28 -4.100 5.157 10.800 1.00 2.79 H new ATOM 0 HH11 ARG A 28 -7.150 5.711 10.682 1.00 3.55 H new ATOM 0 HH12 ARG A 28 -7.160 7.342 10.004 1.00 3.55 H new ATOM 0 HH21 ARG A 28 -3.832 7.106 8.899 1.00 4.53 H new ATOM 0 HH22 ARG A 28 -5.261 8.142 8.983 1.00 4.53 H new ATOM 441 N ASP A 29 -5.759 1.290 13.309 1.00 1.54 N ATOM 442 CA ASP A 29 -6.207 0.187 14.195 1.00 1.72 C ATOM 443 C ASP A 29 -6.483 -1.044 13.338 1.00 1.34 C ATOM 444 O ASP A 29 -6.123 -2.155 13.673 1.00 1.87 O ATOM 445 CB ASP A 29 -7.492 0.644 14.895 1.00 2.37 C ATOM 446 CG ASP A 29 -8.035 -0.448 15.821 1.00 3.19 C ATOM 447 OD1 ASP A 29 -7.227 -1.199 16.341 1.00 4.00 O ATOM 448 OD2 ASP A 29 -9.239 -0.438 15.997 1.00 4.18 O ATOM 0 H ASP A 29 -6.456 1.615 12.639 1.00 1.54 H new ATOM 0 HA ASP A 29 -5.449 -0.061 14.938 1.00 1.72 H new ATOM 0 HB2 ASP A 29 -7.294 1.548 15.471 1.00 2.37 H new ATOM 0 HB3 ASP A 29 -8.245 0.900 14.149 1.00 2.37 H new ATOM 453 N ASP A 30 -7.047 -0.774 12.196 1.00 1.14 N ATOM 454 CA ASP A 30 -7.425 -1.846 11.248 1.00 1.01 C ATOM 455 C ASP A 30 -6.563 -1.869 9.977 1.00 0.95 C ATOM 456 O ASP A 30 -6.986 -2.473 9.019 1.00 1.62 O ATOM 457 CB ASP A 30 -8.866 -1.526 10.831 1.00 1.39 C ATOM 458 CG ASP A 30 -8.854 -0.245 9.968 1.00 2.71 C ATOM 459 OD1 ASP A 30 -8.476 0.792 10.509 1.00 4.12 O ATOM 460 OD2 ASP A 30 -9.190 -0.385 8.800 1.00 3.26 O ATOM 0 H ASP A 30 -7.265 0.170 11.876 1.00 1.14 H new ATOM 0 HA ASP A 30 -7.295 -2.814 11.732 1.00 1.01 H new ATOM 0 HB2 ASP A 30 -9.291 -2.357 10.269 1.00 1.39 H new ATOM 0 HB3 ASP A 30 -9.492 -1.384 11.712 1.00 1.39 H new ATOM 465 N PHE A 31 -5.377 -1.322 9.980 1.00 0.76 N ATOM 466 CA PHE A 31 -4.593 -1.317 8.695 1.00 0.62 C ATOM 467 C PHE A 31 -3.476 -2.369 8.629 1.00 0.62 C ATOM 468 O PHE A 31 -2.369 -2.164 9.113 1.00 0.81 O ATOM 469 CB PHE A 31 -4.000 0.078 8.483 1.00 0.63 C ATOM 470 CG PHE A 31 -3.398 0.145 7.078 1.00 0.58 C ATOM 471 CD1 PHE A 31 -4.208 0.334 5.973 1.00 0.78 C ATOM 472 CD2 PHE A 31 -2.047 -0.051 6.892 1.00 0.58 C ATOM 473 CE1 PHE A 31 -3.671 0.318 4.703 1.00 0.92 C ATOM 474 CE2 PHE A 31 -1.512 -0.066 5.628 1.00 0.60 C ATOM 475 CZ PHE A 31 -2.322 0.119 4.531 1.00 0.77 C ATOM 0 H PHE A 31 -4.922 -0.890 10.784 1.00 0.76 H new ATOM 0 HA PHE A 31 -5.293 -1.580 7.902 1.00 0.62 H new ATOM 0 HB2 PHE A 31 -4.772 0.839 8.600 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -3.235 0.282 9.232 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -5.268 0.495 6.106 1.00 0.78 H new ATOM 0 HD2 PHE A 31 -1.404 -0.194 7.748 1.00 0.58 H new ATOM 0 HE1 PHE A 31 -4.310 0.462 3.844 1.00 0.92 H new ATOM 0 HE2 PHE A 31 -0.452 -0.223 5.494 1.00 0.60 H new ATOM 0 HZ PHE A 31 -1.899 0.108 3.537 1.00 0.77 H new ATOM 485 N GLN A 32 -3.783 -3.452 7.964 1.00 0.62 N ATOM 486 CA GLN A 32 -2.793 -4.555 7.800 1.00 0.65 C ATOM 487 C GLN A 32 -2.408 -4.589 6.317 1.00 0.70 C ATOM 488 O GLN A 32 -3.275 -4.641 5.471 1.00 1.36 O ATOM 489 CB GLN A 32 -3.453 -5.879 8.196 1.00 0.76 C ATOM 490 CG GLN A 32 -4.257 -5.691 9.494 1.00 1.03 C ATOM 491 CD GLN A 32 -4.985 -6.992 9.837 1.00 1.91 C ATOM 492 OE1 GLN A 32 -5.544 -7.645 8.980 1.00 2.66 O ATOM 493 NE2 GLN A 32 -5.016 -7.396 11.067 1.00 2.80 N ATOM 0 H GLN A 32 -4.687 -3.620 7.523 1.00 0.62 H new ATOM 0 HA GLN A 32 -1.913 -4.402 8.425 1.00 0.65 H new ATOM 0 HB2 GLN A 32 -4.110 -6.222 7.397 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -2.693 -6.648 8.336 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -3.591 -5.409 10.309 1.00 1.03 H new ATOM 0 HG3 GLN A 32 -4.976 -4.880 9.375 1.00 1.03 H new ATOM 0 HE21 GLN A 32 -4.549 -6.854 11.794 1.00 2.80 H new ATOM 0 HE22 GLN A 32 -5.507 -8.257 11.309 1.00 2.80 H new ATOM 502 N TYR A 33 -1.142 -4.559 6.019 1.00 0.51 N ATOM 503 CA TYR A 33 -0.721 -4.565 4.588 1.00 0.48 C ATOM 504 C TYR A 33 0.334 -5.643 4.350 1.00 0.50 C ATOM 505 O TYR A 33 0.948 -6.114 5.285 1.00 0.57 O ATOM 506 CB TYR A 33 -0.125 -3.192 4.252 1.00 0.59 C ATOM 507 CG TYR A 33 1.280 -3.088 4.859 1.00 0.57 C ATOM 508 CD1 TYR A 33 1.462 -2.738 6.184 1.00 0.65 C ATOM 509 CD2 TYR A 33 2.380 -3.435 4.102 1.00 0.70 C ATOM 510 CE1 TYR A 33 2.722 -2.752 6.741 1.00 0.78 C ATOM 511 CE2 TYR A 33 3.635 -3.447 4.656 1.00 0.82 C ATOM 512 CZ TYR A 33 3.817 -3.111 5.981 1.00 0.83 C ATOM 513 OH TYR A 33 5.062 -3.197 6.556 1.00 1.05 O ATOM 0 H TYR A 33 -0.382 -4.531 6.698 1.00 0.51 H new ATOM 0 HA TYR A 33 -1.584 -4.774 3.955 1.00 0.48 H new ATOM 0 HB2 TYR A 33 -0.078 -3.058 3.171 1.00 0.59 H new ATOM 0 HB3 TYR A 33 -0.763 -2.400 4.644 1.00 0.59 H new ATOM 0 HD1 TYR A 33 0.612 -2.452 6.786 1.00 0.65 H new ATOM 0 HD2 TYR A 33 2.252 -3.700 3.063 1.00 0.70 H new ATOM 0 HE1 TYR A 33 2.854 -2.481 7.778 1.00 0.78 H new ATOM 0 HE2 TYR A 33 4.486 -3.721 4.050 1.00 0.82 H new ATOM 0 HH TYR A 33 5.718 -3.463 5.878 1.00 1.05 H new ATOM 523 N GLN A 34 0.516 -5.994 3.109 1.00 0.48 N ATOM 524 CA GLN A 34 1.545 -7.008 2.743 1.00 0.50 C ATOM 525 C GLN A 34 2.376 -6.466 1.579 1.00 0.47 C ATOM 526 O GLN A 34 1.860 -5.763 0.717 1.00 0.51 O ATOM 527 CB GLN A 34 0.848 -8.312 2.318 1.00 0.57 C ATOM 528 CG GLN A 34 1.888 -9.324 1.786 1.00 1.02 C ATOM 529 CD GLN A 34 1.197 -10.592 1.275 1.00 2.14 C ATOM 530 OE1 GLN A 34 1.824 -11.467 0.722 1.00 3.38 O ATOM 531 NE2 GLN A 34 -0.089 -10.733 1.432 1.00 3.23 N ATOM 0 H GLN A 34 -0.011 -5.617 2.321 1.00 0.48 H new ATOM 0 HA GLN A 34 2.192 -7.210 3.597 1.00 0.50 H new ATOM 0 HB2 GLN A 34 0.314 -8.740 3.166 1.00 0.57 H new ATOM 0 HB3 GLN A 34 0.107 -8.102 1.547 1.00 0.57 H new ATOM 0 HG2 GLN A 34 2.466 -8.870 0.982 1.00 1.02 H new ATOM 0 HG3 GLN A 34 2.591 -9.581 2.578 1.00 1.02 H new ATOM 0 HE21 GLN A 34 -0.629 -10.003 1.896 1.00 3.23 H new ATOM 0 HE22 GLN A 34 -0.555 -11.573 1.090 1.00 3.23 H new ATOM 540 N TYR A 35 3.632 -6.820 1.552 1.00 0.49 N ATOM 541 CA TYR A 35 4.471 -6.337 0.428 1.00 0.51 C ATOM 542 C TYR A 35 4.569 -7.481 -0.571 1.00 0.47 C ATOM 543 O TYR A 35 4.757 -8.624 -0.193 1.00 0.54 O ATOM 544 CB TYR A 35 5.872 -5.938 0.918 1.00 0.62 C ATOM 545 CG TYR A 35 6.657 -5.350 -0.270 1.00 0.68 C ATOM 546 CD1 TYR A 35 7.210 -6.171 -1.237 1.00 0.89 C ATOM 547 CD2 TYR A 35 6.761 -3.983 -0.424 1.00 0.83 C ATOM 548 CE1 TYR A 35 7.847 -5.631 -2.342 1.00 1.02 C ATOM 549 CE2 TYR A 35 7.394 -3.444 -1.526 1.00 0.95 C ATOM 550 CZ TYR A 35 7.942 -4.262 -2.494 1.00 0.96 C ATOM 551 OH TYR A 35 8.579 -3.713 -3.592 1.00 1.15 O ATOM 0 H TYR A 35 4.101 -7.407 2.242 1.00 0.49 H new ATOM 0 HA TYR A 35 4.027 -5.452 -0.027 1.00 0.51 H new ATOM 0 HB2 TYR A 35 5.798 -5.206 1.722 1.00 0.62 H new ATOM 0 HB3 TYR A 35 6.393 -6.805 1.324 1.00 0.62 H new ATOM 0 HD1 TYR A 35 7.144 -7.244 -1.129 1.00 0.89 H new ATOM 0 HD2 TYR A 35 6.343 -3.328 0.326 1.00 0.83 H new ATOM 0 HE1 TYR A 35 8.272 -6.285 -3.089 1.00 1.02 H new ATOM 0 HE2 TYR A 35 7.461 -2.371 -1.632 1.00 0.95 H new ATOM 0 HH TYR A 35 9.282 -4.322 -3.901 1.00 1.15 H new ATOM 561 N VAL A 36 4.406 -7.151 -1.814 1.00 0.48 N ATOM 562 CA VAL A 36 4.476 -8.168 -2.883 1.00 0.51 C ATOM 563 C VAL A 36 5.583 -7.778 -3.862 1.00 0.59 C ATOM 564 O VAL A 36 5.717 -6.620 -4.234 1.00 0.71 O ATOM 565 CB VAL A 36 3.080 -8.236 -3.546 1.00 0.50 C ATOM 566 CG1 VAL A 36 3.184 -8.538 -5.051 1.00 0.52 C ATOM 567 CG2 VAL A 36 2.283 -9.357 -2.867 1.00 0.53 C ATOM 0 H VAL A 36 4.224 -6.201 -2.138 1.00 0.48 H new ATOM 0 HA VAL A 36 4.724 -9.159 -2.503 1.00 0.51 H new ATOM 0 HB VAL A 36 2.588 -7.271 -3.429 1.00 0.50 H new ATOM 0 HG11 VAL A 36 2.184 -8.578 -5.484 1.00 0.52 H new ATOM 0 HG12 VAL A 36 3.760 -7.753 -5.541 1.00 0.52 H new ATOM 0 HG13 VAL A 36 3.681 -9.497 -5.196 1.00 0.52 H new ATOM 0 HG21 VAL A 36 1.293 -9.424 -3.318 1.00 0.53 H new ATOM 0 HG22 VAL A 36 2.806 -10.305 -2.996 1.00 0.53 H new ATOM 0 HG23 VAL A 36 2.183 -9.140 -1.804 1.00 0.53 H new ATOM 577 N ASP A 37 6.327 -8.769 -4.264 1.00 0.64 N ATOM 578 CA ASP A 37 7.464 -8.562 -5.210 1.00 0.81 C ATOM 579 C ASP A 37 7.112 -9.205 -6.542 1.00 0.88 C ATOM 580 O ASP A 37 7.077 -10.419 -6.670 1.00 1.17 O ATOM 581 CB ASP A 37 8.717 -9.234 -4.636 1.00 0.93 C ATOM 582 CG ASP A 37 9.884 -9.189 -5.632 1.00 1.24 C ATOM 583 OD1 ASP A 37 9.833 -8.383 -6.552 1.00 1.51 O ATOM 584 OD2 ASP A 37 10.796 -9.961 -5.414 1.00 2.39 O ATOM 0 H ASP A 37 6.193 -9.737 -3.971 1.00 0.64 H new ATOM 0 HA ASP A 37 7.651 -7.497 -5.350 1.00 0.81 H new ATOM 0 HB2 ASP A 37 9.007 -8.736 -3.711 1.00 0.93 H new ATOM 0 HB3 ASP A 37 8.492 -10.270 -4.383 1.00 0.93 H new ATOM 589 N ILE A 38 6.873 -8.369 -7.507 1.00 0.84 N ATOM 590 CA ILE A 38 6.512 -8.869 -8.857 1.00 0.91 C ATOM 591 C ILE A 38 7.540 -9.909 -9.305 1.00 0.90 C ATOM 592 O ILE A 38 7.230 -10.760 -10.104 1.00 1.04 O ATOM 593 CB ILE A 38 6.451 -7.691 -9.842 1.00 1.01 C ATOM 594 CG1 ILE A 38 7.865 -7.156 -10.063 1.00 1.23 C ATOM 595 CG2 ILE A 38 5.539 -6.595 -9.255 1.00 0.98 C ATOM 596 CD1 ILE A 38 7.843 -6.045 -11.115 1.00 1.26 C ATOM 0 H ILE A 38 6.912 -7.354 -7.418 1.00 0.84 H new ATOM 0 HA ILE A 38 5.531 -9.343 -8.830 1.00 0.91 H new ATOM 0 HB ILE A 38 6.043 -8.013 -10.800 1.00 1.01 H new ATOM 0 HG12 ILE A 38 8.269 -6.773 -9.126 1.00 1.23 H new ATOM 0 HG13 ILE A 38 8.522 -7.963 -10.387 1.00 1.23 H new ATOM 0 HG21 ILE A 38 5.489 -5.754 -9.947 1.00 0.98 H new ATOM 0 HG22 ILE A 38 4.538 -6.998 -9.101 1.00 0.98 H new ATOM 0 HG23 ILE A 38 5.944 -6.257 -8.301 1.00 0.98 H new ATOM 0 HD11 ILE A 38 8.854 -5.668 -11.267 1.00 1.26 H new ATOM 0 HD12 ILE A 38 7.458 -6.441 -12.055 1.00 1.26 H new ATOM 0 HD13 ILE A 38 7.201 -5.233 -10.773 1.00 1.26 H new ATOM 608 N ARG A 39 8.743 -9.817 -8.780 1.00 0.86 N ATOM 609 CA ARG A 39 9.780 -10.812 -9.171 1.00 0.96 C ATOM 610 C ARG A 39 9.532 -12.098 -8.383 1.00 0.95 C ATOM 611 O ARG A 39 9.243 -13.113 -8.977 1.00 1.40 O ATOM 612 CB ARG A 39 11.185 -10.270 -8.856 1.00 1.12 C ATOM 613 CG ARG A 39 12.236 -11.199 -9.485 1.00 2.24 C ATOM 614 CD ARG A 39 13.656 -10.730 -9.125 1.00 2.63 C ATOM 615 NE ARG A 39 13.997 -11.168 -7.732 1.00 3.33 N ATOM 616 CZ ARG A 39 14.324 -10.286 -6.842 1.00 4.04 C ATOM 617 NH1 ARG A 39 15.560 -9.879 -6.777 1.00 5.18 N ATOM 618 NH2 ARG A 39 13.388 -9.842 -6.074 1.00 4.40 N ATOM 0 H ARG A 39 9.041 -9.108 -8.111 1.00 0.86 H new ATOM 0 HA ARG A 39 9.720 -11.007 -10.242 1.00 0.96 H new ATOM 0 HB2 ARG A 39 11.294 -9.259 -9.248 1.00 1.12 H new ATOM 0 HB3 ARG A 39 11.332 -10.211 -7.778 1.00 1.12 H new ATOM 0 HG2 ARG A 39 12.084 -12.220 -9.134 1.00 2.24 H new ATOM 0 HG3 ARG A 39 12.115 -11.213 -10.568 1.00 2.24 H new ATOM 0 HD2 ARG A 39 14.375 -11.143 -9.832 1.00 2.63 H new ATOM 0 HD3 ARG A 39 13.721 -9.645 -9.201 1.00 2.63 H new ATOM 0 HE ARG A 39 13.971 -12.158 -7.486 1.00 3.33 H new ATOM 0 HH11 ARG A 39 16.255 -10.255 -7.422 1.00 5.18 H new ATOM 0 HH12 ARG A 39 15.832 -9.185 -6.081 1.00 5.18 H new ATOM 0 HH21 ARG A 39 12.434 -10.186 -6.181 1.00 4.40 H new ATOM 0 HH22 ARG A 39 13.602 -9.146 -5.359 1.00 4.40 H new ATOM 632 N ALA A 40 9.649 -12.027 -7.074 1.00 1.17 N ATOM 633 CA ALA A 40 9.416 -13.245 -6.215 1.00 1.23 C ATOM 634 C ALA A 40 8.255 -14.094 -6.750 1.00 1.31 C ATOM 635 O ALA A 40 8.318 -15.317 -6.748 1.00 1.47 O ATOM 636 CB ALA A 40 9.085 -12.814 -4.783 1.00 1.20 C ATOM 0 H ALA A 40 9.895 -11.180 -6.561 1.00 1.17 H new ATOM 0 HA ALA A 40 10.328 -13.842 -6.234 1.00 1.23 H new ATOM 0 HB1 ALA A 40 8.918 -13.697 -4.167 1.00 1.20 H new ATOM 0 HB2 ALA A 40 9.916 -12.239 -4.375 1.00 1.20 H new ATOM 0 HB3 ALA A 40 8.185 -12.199 -4.787 1.00 1.20 H new ATOM 642 N GLU A 41 7.212 -13.411 -7.148 1.00 1.26 N ATOM 643 CA GLU A 41 6.017 -14.116 -7.694 1.00 1.42 C ATOM 644 C GLU A 41 6.224 -14.490 -9.168 1.00 1.53 C ATOM 645 O GLU A 41 5.946 -15.604 -9.557 1.00 1.92 O ATOM 646 CB GLU A 41 4.806 -13.191 -7.508 1.00 1.40 C ATOM 647 CG GLU A 41 4.313 -13.345 -6.065 1.00 1.71 C ATOM 648 CD GLU A 41 3.162 -12.378 -5.797 1.00 1.53 C ATOM 649 OE1 GLU A 41 2.206 -12.423 -6.566 1.00 2.40 O ATOM 650 OE2 GLU A 41 3.309 -11.656 -4.833 1.00 2.26 O ATOM 0 H GLU A 41 7.138 -12.394 -7.118 1.00 1.26 H new ATOM 0 HA GLU A 41 5.851 -15.052 -7.161 1.00 1.42 H new ATOM 0 HB2 GLU A 41 5.082 -12.156 -7.708 1.00 1.40 H new ATOM 0 HB3 GLU A 41 4.015 -13.452 -8.211 1.00 1.40 H new ATOM 0 HG2 GLU A 41 3.985 -14.370 -5.892 1.00 1.71 H new ATOM 0 HG3 GLU A 41 5.130 -13.151 -5.371 1.00 1.71 H new ATOM 657 N GLY A 42 6.697 -13.565 -9.958 1.00 1.33 N ATOM 658 CA GLY A 42 6.930 -13.877 -11.405 1.00 1.47 C ATOM 659 C GLY A 42 5.854 -13.219 -12.254 1.00 1.54 C ATOM 660 O GLY A 42 5.242 -13.857 -13.091 1.00 1.76 O ATOM 0 H GLY A 42 6.932 -12.614 -9.672 1.00 1.33 H new ATOM 0 HA2 GLY A 42 7.914 -13.521 -11.709 1.00 1.47 H new ATOM 0 HA3 GLY A 42 6.919 -14.956 -11.560 1.00 1.47 H new ATOM 664 N ILE A 43 5.685 -11.949 -12.038 1.00 1.40 N ATOM 665 CA ILE A 43 4.655 -11.177 -12.784 1.00 1.51 C ATOM 666 C ILE A 43 5.327 -10.400 -13.923 1.00 1.62 C ATOM 667 O ILE A 43 6.539 -10.357 -14.016 1.00 1.85 O ATOM 668 CB ILE A 43 3.981 -10.220 -11.774 1.00 1.42 C ATOM 669 CG1 ILE A 43 3.393 -11.067 -10.623 1.00 1.45 C ATOM 670 CG2 ILE A 43 2.870 -9.390 -12.446 1.00 1.53 C ATOM 671 CD1 ILE A 43 2.552 -10.200 -9.675 1.00 1.40 C ATOM 0 H ILE A 43 6.224 -11.403 -11.366 1.00 1.40 H new ATOM 0 HA ILE A 43 3.906 -11.832 -13.229 1.00 1.51 H new ATOM 0 HB ILE A 43 4.723 -9.520 -11.390 1.00 1.42 H new ATOM 0 HG12 ILE A 43 2.776 -11.866 -11.034 1.00 1.45 H new ATOM 0 HG13 ILE A 43 4.201 -11.542 -10.067 1.00 1.45 H new ATOM 0 HG21 ILE A 43 2.415 -8.727 -11.710 1.00 1.53 H new ATOM 0 HG22 ILE A 43 3.298 -8.796 -13.254 1.00 1.53 H new ATOM 0 HG23 ILE A 43 2.110 -10.059 -12.850 1.00 1.53 H new ATOM 0 HD11 ILE A 43 2.150 -10.821 -8.874 1.00 1.40 H new ATOM 0 HD12 ILE A 43 3.178 -9.416 -9.247 1.00 1.40 H new ATOM 0 HD13 ILE A 43 1.730 -9.746 -10.229 1.00 1.40 H new ATOM 683 N THR A 44 4.527 -9.800 -14.760 1.00 1.58 N ATOM 684 CA THR A 44 5.060 -9.004 -15.909 1.00 1.74 C ATOM 685 C THR A 44 4.933 -7.513 -15.572 1.00 1.82 C ATOM 686 O THR A 44 4.618 -7.165 -14.446 1.00 2.41 O ATOM 687 CB THR A 44 4.217 -9.310 -17.150 1.00 1.91 C ATOM 688 OG1 THR A 44 2.914 -8.797 -16.855 1.00 1.99 O ATOM 689 CG2 THR A 44 4.049 -10.819 -17.320 1.00 2.46 C ATOM 0 H THR A 44 3.509 -9.826 -14.698 1.00 1.58 H new ATOM 0 HA THR A 44 6.104 -9.257 -16.096 1.00 1.74 H new ATOM 0 HB THR A 44 4.680 -8.887 -18.042 1.00 1.91 H new ATOM 0 HG1 THR A 44 2.254 -9.518 -16.928 1.00 1.99 H new ATOM 0 HG21 THR A 44 3.447 -11.021 -18.206 1.00 2.46 H new ATOM 0 HG22 THR A 44 5.028 -11.284 -17.433 1.00 2.46 H new ATOM 0 HG23 THR A 44 3.551 -11.231 -16.442 1.00 2.46 H new ATOM 697 N LYS A 45 5.180 -6.646 -16.526 1.00 1.85 N ATOM 698 CA LYS A 45 5.020 -5.185 -16.240 1.00 2.16 C ATOM 699 C LYS A 45 3.933 -4.655 -17.177 1.00 2.34 C ATOM 700 O LYS A 45 3.945 -3.513 -17.626 1.00 3.32 O ATOM 701 CB LYS A 45 6.336 -4.430 -16.423 1.00 2.82 C ATOM 702 CG LYS A 45 6.944 -4.687 -17.805 1.00 3.93 C ATOM 703 CD LYS A 45 7.787 -3.470 -18.222 1.00 4.41 C ATOM 704 CE LYS A 45 7.266 -2.917 -19.551 1.00 4.84 C ATOM 705 NZ LYS A 45 5.810 -2.586 -19.461 1.00 4.82 N ATOM 0 H LYS A 45 5.480 -6.880 -17.472 1.00 1.85 H new ATOM 0 HA LYS A 45 4.730 -5.033 -15.200 1.00 2.16 H new ATOM 0 HB2 LYS A 45 6.165 -3.361 -16.293 1.00 2.82 H new ATOM 0 HB3 LYS A 45 7.042 -4.736 -15.651 1.00 2.82 H new ATOM 0 HG2 LYS A 45 7.564 -5.583 -17.782 1.00 3.93 H new ATOM 0 HG3 LYS A 45 6.155 -4.865 -18.535 1.00 3.93 H new ATOM 0 HD2 LYS A 45 7.739 -2.700 -17.452 1.00 4.41 H new ATOM 0 HD3 LYS A 45 8.834 -3.757 -18.321 1.00 4.41 H new ATOM 0 HE2 LYS A 45 7.829 -2.024 -19.823 1.00 4.84 H new ATOM 0 HE3 LYS A 45 7.428 -3.649 -20.342 1.00 4.84 H new ATOM 0 HZ1 LYS A 45 5.267 -3.241 -20.059 1.00 4.82 H new ATOM 0 HZ2 LYS A 45 5.494 -2.676 -18.474 1.00 4.82 H new ATOM 0 HZ3 LYS A 45 5.655 -1.611 -19.787 1.00 4.82 H new ATOM 719 N GLU A 46 3.070 -5.596 -17.449 1.00 2.02 N ATOM 720 CA GLU A 46 1.850 -5.442 -18.298 1.00 2.17 C ATOM 721 C GLU A 46 0.697 -5.774 -17.355 1.00 2.01 C ATOM 722 O GLU A 46 -0.226 -5.000 -17.138 1.00 2.19 O ATOM 723 CB GLU A 46 1.840 -6.497 -19.427 1.00 2.28 C ATOM 724 CG GLU A 46 2.844 -6.168 -20.543 1.00 2.38 C ATOM 725 CD GLU A 46 4.236 -5.923 -19.972 1.00 2.73 C ATOM 726 OE1 GLU A 46 4.702 -6.791 -19.248 1.00 3.21 O ATOM 727 OE2 GLU A 46 4.749 -4.867 -20.281 1.00 3.53 O ATOM 0 H GLU A 46 3.174 -6.543 -17.084 1.00 2.02 H new ATOM 0 HA GLU A 46 1.796 -4.451 -18.748 1.00 2.17 H new ATOM 0 HB2 GLU A 46 2.074 -7.476 -19.008 1.00 2.28 H new ATOM 0 HB3 GLU A 46 0.838 -6.563 -19.851 1.00 2.28 H new ATOM 0 HG2 GLU A 46 2.880 -6.990 -21.258 1.00 2.38 H new ATOM 0 HG3 GLU A 46 2.510 -5.285 -21.088 1.00 2.38 H new ATOM 734 N ASP A 47 0.827 -6.957 -16.801 1.00 1.76 N ATOM 735 CA ASP A 47 -0.164 -7.477 -15.831 1.00 1.69 C ATOM 736 C ASP A 47 -0.481 -6.434 -14.792 1.00 1.62 C ATOM 737 O ASP A 47 -1.618 -6.222 -14.463 1.00 1.73 O ATOM 738 CB ASP A 47 0.430 -8.682 -15.100 1.00 1.56 C ATOM 739 CG ASP A 47 -0.033 -9.960 -15.768 1.00 2.42 C ATOM 740 OD1 ASP A 47 0.486 -10.223 -16.842 1.00 3.58 O ATOM 741 OD2 ASP A 47 -0.920 -10.557 -15.178 1.00 2.88 O ATOM 0 H ASP A 47 1.602 -7.592 -16.992 1.00 1.76 H new ATOM 0 HA ASP A 47 -1.067 -7.750 -16.378 1.00 1.69 H new ATOM 0 HB2 ASP A 47 1.519 -8.627 -15.112 1.00 1.56 H new ATOM 0 HB3 ASP A 47 0.122 -8.674 -14.054 1.00 1.56 H new ATOM 746 N LEU A 48 0.552 -5.860 -14.263 1.00 1.51 N ATOM 747 CA LEU A 48 0.377 -4.825 -13.209 1.00 1.58 C ATOM 748 C LEU A 48 -0.570 -3.703 -13.662 1.00 1.78 C ATOM 749 O LEU A 48 -1.402 -3.264 -12.883 1.00 1.98 O ATOM 750 CB LEU A 48 1.774 -4.316 -12.832 1.00 1.65 C ATOM 751 CG LEU A 48 2.521 -5.490 -12.158 1.00 1.60 C ATOM 752 CD1 LEU A 48 4.020 -5.216 -12.095 1.00 1.87 C ATOM 753 CD2 LEU A 48 2.005 -5.674 -10.719 1.00 1.86 C ATOM 0 H LEU A 48 1.520 -6.062 -14.514 1.00 1.51 H new ATOM 0 HA LEU A 48 -0.102 -5.251 -12.328 1.00 1.58 H new ATOM 0 HB2 LEU A 48 2.311 -3.975 -13.717 1.00 1.65 H new ATOM 0 HB3 LEU A 48 1.704 -3.465 -12.155 1.00 1.65 H new ATOM 0 HG LEU A 48 2.341 -6.388 -12.749 1.00 1.60 H new ATOM 0 HD11 LEU A 48 4.524 -6.056 -11.617 1.00 1.87 H new ATOM 0 HD12 LEU A 48 4.409 -5.087 -13.105 1.00 1.87 H new ATOM 0 HD13 LEU A 48 4.200 -4.309 -11.518 1.00 1.87 H new ATOM 0 HD21 LEU A 48 2.533 -6.502 -10.246 1.00 1.86 H new ATOM 0 HD22 LEU A 48 2.179 -4.761 -10.150 1.00 1.86 H new ATOM 0 HD23 LEU A 48 0.937 -5.890 -10.740 1.00 1.86 H new ATOM 765 N GLN A 49 -0.494 -3.320 -14.910 1.00 1.77 N ATOM 766 CA GLN A 49 -1.401 -2.235 -15.389 1.00 2.02 C ATOM 767 C GLN A 49 -2.793 -2.820 -15.621 1.00 1.93 C ATOM 768 O GLN A 49 -3.797 -2.293 -15.167 1.00 1.90 O ATOM 769 CB GLN A 49 -0.869 -1.671 -16.709 1.00 2.47 C ATOM 770 CG GLN A 49 -1.776 -0.521 -17.161 1.00 2.56 C ATOM 771 CD GLN A 49 -1.338 -0.054 -18.542 1.00 3.20 C ATOM 772 OE1 GLN A 49 -1.789 -0.548 -19.556 1.00 3.51 O ATOM 773 NE2 GLN A 49 -0.432 0.873 -18.625 1.00 4.47 N ATOM 0 H GLN A 49 0.144 -3.703 -15.607 1.00 1.77 H new ATOM 0 HA GLN A 49 -1.448 -1.440 -14.645 1.00 2.02 H new ATOM 0 HB2 GLN A 49 0.154 -1.316 -16.582 1.00 2.47 H new ATOM 0 HB3 GLN A 49 -0.844 -2.452 -17.469 1.00 2.47 H new ATOM 0 HG2 GLN A 49 -2.815 -0.850 -17.187 1.00 2.56 H new ATOM 0 HG3 GLN A 49 -1.720 0.303 -16.450 1.00 2.56 H new ATOM 0 HE21 GLN A 49 -0.050 1.291 -17.776 1.00 4.47 H new ATOM 0 HE22 GLN A 49 -0.102 1.183 -19.539 1.00 4.47 H new ATOM 782 N GLN A 50 -2.815 -3.908 -16.338 1.00 2.03 N ATOM 783 CA GLN A 50 -4.103 -4.589 -16.631 1.00 2.16 C ATOM 784 C GLN A 50 -4.868 -4.847 -15.331 1.00 1.86 C ATOM 785 O GLN A 50 -6.064 -4.664 -15.261 1.00 1.94 O ATOM 786 CB GLN A 50 -3.773 -5.915 -17.325 1.00 2.45 C ATOM 787 CG GLN A 50 -5.048 -6.706 -17.647 1.00 2.81 C ATOM 788 CD GLN A 50 -5.665 -7.281 -16.361 1.00 3.64 C ATOM 789 OE1 GLN A 50 -4.972 -7.801 -15.501 1.00 4.48 O ATOM 790 NE2 GLN A 50 -6.954 -7.200 -16.184 1.00 4.73 N ATOM 0 H GLN A 50 -1.990 -4.357 -16.736 1.00 2.03 H new ATOM 0 HA GLN A 50 -4.730 -3.969 -17.271 1.00 2.16 H new ATOM 0 HB2 GLN A 50 -3.221 -5.720 -18.245 1.00 2.45 H new ATOM 0 HB3 GLN A 50 -3.124 -6.512 -16.684 1.00 2.45 H new ATOM 0 HG2 GLN A 50 -5.769 -6.058 -18.145 1.00 2.81 H new ATOM 0 HG3 GLN A 50 -4.816 -7.515 -18.339 1.00 2.81 H new ATOM 0 HE21 GLN A 50 -7.541 -6.767 -16.897 1.00 4.73 H new ATOM 0 HE22 GLN A 50 -7.376 -7.570 -15.332 1.00 4.73 H new ATOM 799 N LYS A 51 -4.145 -5.305 -14.351 1.00 1.63 N ATOM 800 CA LYS A 51 -4.760 -5.615 -13.026 1.00 1.54 C ATOM 801 C LYS A 51 -5.392 -4.380 -12.396 1.00 1.26 C ATOM 802 O LYS A 51 -6.150 -4.495 -11.454 1.00 1.36 O ATOM 803 CB LYS A 51 -3.693 -6.191 -12.082 1.00 1.59 C ATOM 804 CG LYS A 51 -4.120 -7.612 -11.679 1.00 2.12 C ATOM 805 CD LYS A 51 -2.926 -8.421 -11.143 1.00 2.40 C ATOM 806 CE LYS A 51 -1.802 -8.503 -12.193 1.00 3.99 C ATOM 807 NZ LYS A 51 -2.341 -8.750 -13.568 1.00 4.95 N ATOM 0 H LYS A 51 -3.142 -5.481 -14.409 1.00 1.63 H new ATOM 0 HA LYS A 51 -5.549 -6.349 -13.186 1.00 1.54 H new ATOM 0 HB2 LYS A 51 -2.721 -6.212 -12.575 1.00 1.59 H new ATOM 0 HB3 LYS A 51 -3.588 -5.561 -11.199 1.00 1.59 H new ATOM 0 HG2 LYS A 51 -4.898 -7.559 -10.917 1.00 2.12 H new ATOM 0 HG3 LYS A 51 -4.552 -8.123 -12.540 1.00 2.12 H new ATOM 0 HD2 LYS A 51 -2.546 -7.956 -10.233 1.00 2.40 H new ATOM 0 HD3 LYS A 51 -3.253 -9.426 -10.875 1.00 2.40 H new ATOM 0 HE2 LYS A 51 -1.232 -7.574 -12.188 1.00 3.99 H new ATOM 0 HE3 LYS A 51 -1.112 -9.303 -11.924 1.00 3.99 H new ATOM 0 HZ1 LYS A 51 -1.715 -9.409 -14.073 1.00 4.95 H new ATOM 0 HZ2 LYS A 51 -3.294 -9.162 -13.499 1.00 4.95 H new ATOM 0 HZ3 LYS A 51 -2.389 -7.851 -14.089 1.00 4.95 H new ATOM 821 N ALA A 52 -5.041 -3.231 -12.888 1.00 1.21 N ATOM 822 CA ALA A 52 -5.642 -1.994 -12.341 1.00 1.29 C ATOM 823 C ALA A 52 -6.898 -1.733 -13.162 1.00 1.63 C ATOM 824 O ALA A 52 -7.977 -1.489 -12.619 1.00 2.05 O ATOM 825 CB ALA A 52 -4.657 -0.830 -12.493 1.00 1.49 C ATOM 0 H ALA A 52 -4.367 -3.096 -13.642 1.00 1.21 H new ATOM 0 HA ALA A 52 -5.878 -2.094 -11.282 1.00 1.29 H new ATOM 0 HB1 ALA A 52 -5.103 0.079 -12.089 1.00 1.49 H new ATOM 0 HB2 ALA A 52 -3.740 -1.056 -11.950 1.00 1.49 H new ATOM 0 HB3 ALA A 52 -4.427 -0.683 -13.548 1.00 1.49 H new ATOM 831 N GLY A 53 -6.708 -1.739 -14.455 1.00 1.71 N ATOM 832 CA GLY A 53 -7.859 -1.516 -15.376 1.00 2.18 C ATOM 833 C GLY A 53 -8.198 -0.034 -15.459 1.00 2.64 C ATOM 834 O GLY A 53 -8.758 0.413 -16.427 1.00 2.98 O ATOM 0 H GLY A 53 -5.808 -1.888 -14.911 1.00 1.71 H new ATOM 0 HA2 GLY A 53 -7.617 -1.895 -16.369 1.00 2.18 H new ATOM 0 HA3 GLY A 53 -8.727 -2.074 -15.025 1.00 2.18 H new ATOM 838 N LYS A 54 -7.857 0.692 -14.432 1.00 3.18 N ATOM 839 CA LYS A 54 -8.152 2.153 -14.407 1.00 4.08 C ATOM 840 C LYS A 54 -6.838 2.930 -14.544 1.00 4.09 C ATOM 841 O LYS A 54 -5.791 2.416 -14.197 1.00 4.13 O ATOM 842 CB LYS A 54 -8.825 2.475 -13.067 1.00 5.32 C ATOM 843 CG LYS A 54 -10.161 1.717 -12.968 1.00 6.58 C ATOM 844 CD LYS A 54 -10.708 1.807 -11.535 1.00 7.87 C ATOM 845 CE LYS A 54 -9.988 0.791 -10.642 1.00 8.44 C ATOM 846 NZ LYS A 54 -10.313 -0.600 -11.074 1.00 9.97 N ATOM 0 H LYS A 54 -7.383 0.334 -13.603 1.00 3.18 H new ATOM 0 HA LYS A 54 -8.811 2.435 -15.228 1.00 4.08 H new ATOM 0 HB2 LYS A 54 -8.172 2.191 -12.242 1.00 5.32 H new ATOM 0 HB3 LYS A 54 -8.996 3.548 -12.983 1.00 5.32 H new ATOM 0 HG2 LYS A 54 -10.881 2.139 -13.669 1.00 6.58 H new ATOM 0 HG3 LYS A 54 -10.018 0.673 -13.247 1.00 6.58 H new ATOM 0 HD2 LYS A 54 -10.566 2.814 -11.144 1.00 7.87 H new ATOM 0 HD3 LYS A 54 -11.780 1.612 -11.532 1.00 7.87 H new ATOM 0 HE2 LYS A 54 -8.911 0.952 -10.691 1.00 8.44 H new ATOM 0 HE3 LYS A 54 -10.285 0.935 -9.603 1.00 8.44 H new ATOM 0 HZ1 LYS A 54 -10.578 -1.168 -10.244 1.00 9.97 H new ATOM 0 HZ2 LYS A 54 -11.106 -0.578 -11.747 1.00 9.97 H new ATOM 0 HZ3 LYS A 54 -9.482 -1.024 -11.533 1.00 9.97 H new ATOM 860 N PRO A 55 -6.927 4.154 -15.026 1.00 4.67 N ATOM 861 CA PRO A 55 -5.840 4.797 -15.818 1.00 4.90 C ATOM 862 C PRO A 55 -4.523 4.922 -15.031 1.00 4.85 C ATOM 863 O PRO A 55 -4.156 5.995 -14.591 1.00 5.74 O ATOM 864 CB PRO A 55 -6.414 6.176 -16.188 1.00 6.12 C ATOM 865 CG PRO A 55 -7.938 6.076 -15.965 1.00 6.38 C ATOM 866 CD PRO A 55 -8.130 5.016 -14.875 1.00 5.56 C ATOM 0 HA PRO A 55 -5.572 4.203 -16.691 1.00 4.90 H new ATOM 0 HB2 PRO A 55 -5.979 6.959 -15.567 1.00 6.12 H new ATOM 0 HB3 PRO A 55 -6.187 6.428 -17.224 1.00 6.12 H new ATOM 0 HG2 PRO A 55 -8.352 7.036 -15.655 1.00 6.38 H new ATOM 0 HG3 PRO A 55 -8.450 5.790 -16.884 1.00 6.38 H new ATOM 0 HD2 PRO A 55 -8.183 5.464 -13.883 1.00 5.56 H new ATOM 0 HD3 PRO A 55 -9.051 4.451 -15.020 1.00 5.56 H new ATOM 874 N VAL A 56 -3.837 3.819 -14.874 1.00 4.44 N ATOM 875 CA VAL A 56 -2.549 3.849 -14.134 1.00 4.78 C ATOM 876 C VAL A 56 -1.403 3.950 -15.143 1.00 3.67 C ATOM 877 O VAL A 56 -1.569 3.644 -16.314 1.00 4.25 O ATOM 878 CB VAL A 56 -2.432 2.559 -13.292 1.00 6.14 C ATOM 879 CG1 VAL A 56 -2.314 1.332 -14.203 1.00 6.60 C ATOM 880 CG2 VAL A 56 -1.187 2.623 -12.393 1.00 6.80 C ATOM 0 H VAL A 56 -4.116 2.903 -15.227 1.00 4.44 H new ATOM 0 HA VAL A 56 -2.503 4.709 -13.466 1.00 4.78 H new ATOM 0 HB VAL A 56 -3.329 2.475 -12.679 1.00 6.14 H new ATOM 0 HG11 VAL A 56 -2.232 0.432 -13.593 1.00 6.60 H new ATOM 0 HG12 VAL A 56 -3.199 1.262 -14.836 1.00 6.60 H new ATOM 0 HG13 VAL A 56 -1.427 1.428 -14.829 1.00 6.60 H new ATOM 0 HG21 VAL A 56 -1.116 1.708 -11.805 1.00 6.80 H new ATOM 0 HG22 VAL A 56 -0.296 2.727 -13.012 1.00 6.80 H new ATOM 0 HG23 VAL A 56 -1.265 3.480 -11.724 1.00 6.80 H new ATOM 890 N GLU A 57 -0.267 4.335 -14.644 1.00 3.15 N ATOM 891 CA GLU A 57 0.932 4.487 -15.508 1.00 2.98 C ATOM 892 C GLU A 57 1.726 3.174 -15.564 1.00 2.57 C ATOM 893 O GLU A 57 1.370 2.267 -16.306 1.00 3.34 O ATOM 894 CB GLU A 57 1.790 5.620 -14.909 1.00 3.92 C ATOM 895 CG GLU A 57 1.731 5.550 -13.364 1.00 4.68 C ATOM 896 CD GLU A 57 2.971 6.201 -12.746 1.00 5.67 C ATOM 897 OE1 GLU A 57 4.044 5.718 -13.076 1.00 6.08 O ATOM 898 OE2 GLU A 57 2.775 7.116 -11.957 1.00 6.68 O ATOM 0 H GLU A 57 -0.115 4.554 -13.659 1.00 3.15 H new ATOM 0 HA GLU A 57 0.640 4.731 -16.530 1.00 2.98 H new ATOM 0 HB2 GLU A 57 2.822 5.528 -15.249 1.00 3.92 H new ATOM 0 HB3 GLU A 57 1.426 6.588 -15.254 1.00 3.92 H new ATOM 0 HG2 GLU A 57 0.833 6.054 -13.006 1.00 4.68 H new ATOM 0 HG3 GLU A 57 1.662 4.510 -13.044 1.00 4.68 H new ATOM 905 N THR A 58 2.770 3.095 -14.781 1.00 2.30 N ATOM 906 CA THR A 58 3.606 1.866 -14.773 1.00 2.97 C ATOM 907 C THR A 58 3.841 1.406 -13.328 1.00 2.43 C ATOM 908 O THR A 58 3.175 1.847 -12.414 1.00 2.16 O ATOM 909 CB THR A 58 4.933 2.187 -15.495 1.00 4.18 C ATOM 910 OG1 THR A 58 5.647 0.950 -15.595 1.00 5.27 O ATOM 911 CG2 THR A 58 5.837 3.103 -14.663 1.00 4.45 C ATOM 0 H THR A 58 3.078 3.832 -14.147 1.00 2.30 H new ATOM 0 HA THR A 58 3.106 1.049 -15.294 1.00 2.97 H new ATOM 0 HB THR A 58 4.701 2.666 -16.446 1.00 4.18 H new ATOM 0 HG1 THR A 58 6.501 1.101 -16.051 1.00 5.27 H new ATOM 0 HG21 THR A 58 6.758 3.301 -15.211 1.00 4.45 H new ATOM 0 HG22 THR A 58 5.322 4.043 -14.468 1.00 4.45 H new ATOM 0 HG23 THR A 58 6.075 2.617 -13.717 1.00 4.45 H new ATOM 919 N VAL A 59 4.830 0.578 -13.169 1.00 2.90 N ATOM 920 CA VAL A 59 5.191 0.018 -11.830 1.00 2.56 C ATOM 921 C VAL A 59 6.097 1.009 -11.083 1.00 2.68 C ATOM 922 O VAL A 59 7.011 1.569 -11.665 1.00 3.42 O ATOM 923 CB VAL A 59 5.955 -1.299 -12.091 1.00 3.12 C ATOM 924 CG1 VAL A 59 6.528 -1.924 -10.806 1.00 3.13 C ATOM 925 CG2 VAL A 59 4.981 -2.299 -12.703 1.00 4.05 C ATOM 0 H VAL A 59 5.424 0.253 -13.932 1.00 2.90 H new ATOM 0 HA VAL A 59 4.304 -0.158 -11.222 1.00 2.56 H new ATOM 0 HB VAL A 59 6.791 -1.069 -12.752 1.00 3.12 H new ATOM 0 HG11 VAL A 59 7.053 -2.846 -11.053 1.00 3.13 H new ATOM 0 HG12 VAL A 59 7.222 -1.225 -10.339 1.00 3.13 H new ATOM 0 HG13 VAL A 59 5.715 -2.144 -10.114 1.00 3.13 H new ATOM 0 HG21 VAL A 59 5.498 -3.239 -12.897 1.00 4.05 H new ATOM 0 HG22 VAL A 59 4.157 -2.474 -12.011 1.00 4.05 H new ATOM 0 HG23 VAL A 59 4.590 -1.900 -13.639 1.00 4.05 H new ATOM 935 N PRO A 60 5.875 1.147 -9.787 1.00 2.24 N ATOM 936 CA PRO A 60 5.064 0.222 -8.957 1.00 1.70 C ATOM 937 C PRO A 60 3.596 0.635 -8.881 1.00 1.40 C ATOM 938 O PRO A 60 3.237 1.759 -9.170 1.00 1.53 O ATOM 939 CB PRO A 60 5.712 0.305 -7.568 1.00 1.75 C ATOM 940 CG PRO A 60 6.664 1.529 -7.595 1.00 2.42 C ATOM 941 CD PRO A 60 6.522 2.192 -8.980 1.00 2.49 C ATOM 0 HA PRO A 60 5.056 -0.784 -9.377 1.00 1.70 H new ATOM 0 HB2 PRO A 60 4.954 0.421 -6.793 1.00 1.75 H new ATOM 0 HB3 PRO A 60 6.262 -0.609 -7.342 1.00 1.75 H new ATOM 0 HG2 PRO A 60 6.406 2.233 -6.804 1.00 2.42 H new ATOM 0 HG3 PRO A 60 7.694 1.218 -7.422 1.00 2.42 H new ATOM 0 HD2 PRO A 60 5.917 3.097 -8.933 1.00 2.49 H new ATOM 0 HD3 PRO A 60 7.490 2.477 -9.391 1.00 2.49 H new ATOM 949 N GLN A 61 2.789 -0.290 -8.433 1.00 1.05 N ATOM 950 CA GLN A 61 1.331 -0.011 -8.315 1.00 0.82 C ATOM 951 C GLN A 61 0.829 -0.445 -6.933 1.00 0.75 C ATOM 952 O GLN A 61 1.420 -1.310 -6.285 1.00 0.74 O ATOM 953 CB GLN A 61 0.588 -0.770 -9.422 1.00 0.88 C ATOM 954 CG GLN A 61 1.100 -0.303 -10.802 1.00 1.18 C ATOM 955 CD GLN A 61 0.186 -0.847 -11.901 1.00 2.10 C ATOM 956 OE1 GLN A 61 0.619 -1.305 -12.938 1.00 3.11 O ATOM 957 NE2 GLN A 61 -1.096 -0.824 -11.721 1.00 2.96 N ATOM 0 H GLN A 61 3.077 -1.225 -8.144 1.00 1.05 H new ATOM 0 HA GLN A 61 1.146 1.057 -8.426 1.00 0.82 H new ATOM 0 HB2 GLN A 61 0.744 -1.843 -9.309 1.00 0.88 H new ATOM 0 HB3 GLN A 61 -0.485 -0.593 -9.342 1.00 0.88 H new ATOM 0 HG2 GLN A 61 1.125 0.786 -10.842 1.00 1.18 H new ATOM 0 HG3 GLN A 61 2.121 -0.651 -10.959 1.00 1.18 H new ATOM 0 HE21 GLN A 61 -1.483 -0.444 -10.857 1.00 2.96 H new ATOM 0 HE22 GLN A 61 -1.719 -1.186 -12.443 1.00 2.96 H new ATOM 966 N ILE A 62 -0.256 0.156 -6.513 1.00 0.78 N ATOM 967 CA ILE A 62 -0.815 -0.164 -5.171 1.00 0.75 C ATOM 968 C ILE A 62 -2.271 -0.578 -5.253 1.00 0.69 C ATOM 969 O ILE A 62 -3.051 -0.029 -6.020 1.00 0.72 O ATOM 970 CB ILE A 62 -0.703 1.088 -4.310 1.00 0.88 C ATOM 971 CG1 ILE A 62 0.784 1.438 -4.207 1.00 1.08 C ATOM 972 CG2 ILE A 62 -1.320 0.833 -2.919 1.00 0.89 C ATOM 973 CD1 ILE A 62 0.947 2.700 -3.378 1.00 1.20 C ATOM 0 H ILE A 62 -0.777 0.854 -7.044 1.00 0.78 H new ATOM 0 HA ILE A 62 -0.257 -0.998 -4.745 1.00 0.75 H new ATOM 0 HB ILE A 62 -1.249 1.921 -4.753 1.00 0.88 H new ATOM 0 HG12 ILE A 62 1.332 0.615 -3.749 1.00 1.08 H new ATOM 0 HG13 ILE A 62 1.204 1.586 -5.202 1.00 1.08 H new ATOM 0 HG21 ILE A 62 -1.234 1.734 -2.312 1.00 0.89 H new ATOM 0 HG22 ILE A 62 -2.372 0.569 -3.030 1.00 0.89 H new ATOM 0 HG23 ILE A 62 -0.790 0.015 -2.430 1.00 0.89 H new ATOM 0 HD11 ILE A 62 2.005 2.952 -3.303 1.00 1.20 H new ATOM 0 HD12 ILE A 62 0.412 3.521 -3.856 1.00 1.20 H new ATOM 0 HD13 ILE A 62 0.542 2.535 -2.380 1.00 1.20 H new ATOM 985 N PHE A 63 -2.597 -1.501 -4.404 1.00 0.62 N ATOM 986 CA PHE A 63 -3.986 -2.025 -4.339 1.00 0.61 C ATOM 987 C PHE A 63 -4.464 -1.976 -2.900 1.00 0.61 C ATOM 988 O PHE A 63 -3.826 -2.560 -2.035 1.00 0.59 O ATOM 989 CB PHE A 63 -4.026 -3.492 -4.793 1.00 0.63 C ATOM 990 CG PHE A 63 -3.791 -3.597 -6.305 1.00 0.71 C ATOM 991 CD1 PHE A 63 -2.581 -3.229 -6.861 1.00 0.80 C ATOM 992 CD2 PHE A 63 -4.807 -4.032 -7.139 1.00 0.93 C ATOM 993 CE1 PHE A 63 -2.391 -3.281 -8.222 1.00 0.96 C ATOM 994 CE2 PHE A 63 -4.615 -4.088 -8.504 1.00 1.10 C ATOM 995 CZ PHE A 63 -3.407 -3.705 -9.044 1.00 1.06 C ATOM 0 H PHE A 63 -1.950 -1.924 -3.739 1.00 0.62 H new ATOM 0 HA PHE A 63 -4.618 -1.418 -4.988 1.00 0.61 H new ATOM 0 HB2 PHE A 63 -3.265 -4.064 -4.261 1.00 0.63 H new ATOM 0 HB3 PHE A 63 -4.991 -3.931 -4.538 1.00 0.63 H new ATOM 0 HD1 PHE A 63 -1.777 -2.897 -6.221 1.00 0.80 H new ATOM 0 HD2 PHE A 63 -5.756 -4.329 -6.718 1.00 0.93 H new ATOM 0 HE1 PHE A 63 -1.442 -2.988 -8.645 1.00 0.96 H new ATOM 0 HE2 PHE A 63 -5.411 -4.432 -9.148 1.00 1.10 H new ATOM 0 HZ PHE A 63 -3.259 -3.738 -10.113 1.00 1.06 H new ATOM 1005 N VAL A 64 -5.548 -1.298 -2.648 1.00 0.68 N ATOM 1006 CA VAL A 64 -6.038 -1.283 -1.247 1.00 0.74 C ATOM 1007 C VAL A 64 -7.015 -2.438 -1.151 1.00 0.86 C ATOM 1008 O VAL A 64 -7.964 -2.514 -1.923 1.00 1.08 O ATOM 1009 CB VAL A 64 -6.723 0.048 -0.900 1.00 0.76 C ATOM 1010 CG1 VAL A 64 -7.571 -0.117 0.374 1.00 0.87 C ATOM 1011 CG2 VAL A 64 -5.634 1.096 -0.621 1.00 0.77 C ATOM 0 H VAL A 64 -6.098 -0.771 -3.326 1.00 0.68 H new ATOM 0 HA VAL A 64 -5.216 -1.385 -0.539 1.00 0.74 H new ATOM 0 HB VAL A 64 -7.361 0.356 -1.728 1.00 0.76 H new ATOM 0 HG11 VAL A 64 -8.054 0.830 0.615 1.00 0.87 H new ATOM 0 HG12 VAL A 64 -8.331 -0.880 0.209 1.00 0.87 H new ATOM 0 HG13 VAL A 64 -6.929 -0.418 1.202 1.00 0.87 H new ATOM 0 HG21 VAL A 64 -6.101 2.049 -0.373 1.00 0.77 H new ATOM 0 HG22 VAL A 64 -5.017 0.766 0.214 1.00 0.77 H new ATOM 0 HG23 VAL A 64 -5.011 1.218 -1.507 1.00 0.77 H new ATOM 1021 N ASP A 65 -6.726 -3.315 -0.230 1.00 1.06 N ATOM 1022 CA ASP A 65 -7.569 -4.517 -0.015 1.00 1.33 C ATOM 1023 C ASP A 65 -7.514 -5.401 -1.271 1.00 1.71 C ATOM 1024 O ASP A 65 -6.866 -6.431 -1.278 1.00 2.38 O ATOM 1025 CB ASP A 65 -8.992 -4.035 0.306 1.00 1.45 C ATOM 1026 CG ASP A 65 -9.638 -4.989 1.305 1.00 1.80 C ATOM 1027 OD1 ASP A 65 -9.116 -5.040 2.422 1.00 2.49 O ATOM 1028 OD2 ASP A 65 -10.618 -5.586 0.903 1.00 2.91 O ATOM 0 H ASP A 65 -5.923 -3.244 0.394 1.00 1.06 H new ATOM 0 HA ASP A 65 -7.213 -5.123 0.818 1.00 1.33 H new ATOM 0 HB2 ASP A 65 -8.962 -3.026 0.718 1.00 1.45 H new ATOM 0 HB3 ASP A 65 -9.587 -3.989 -0.606 1.00 1.45 H new ATOM 1033 N GLN A 66 -8.194 -4.978 -2.293 1.00 1.66 N ATOM 1034 CA GLN A 66 -8.196 -5.740 -3.575 1.00 2.08 C ATOM 1035 C GLN A 66 -8.331 -4.807 -4.785 1.00 1.81 C ATOM 1036 O GLN A 66 -8.218 -5.255 -5.912 1.00 2.12 O ATOM 1037 CB GLN A 66 -9.342 -6.762 -3.607 1.00 2.63 C ATOM 1038 CG GLN A 66 -10.439 -6.432 -2.589 1.00 2.66 C ATOM 1039 CD GLN A 66 -11.018 -5.031 -2.815 1.00 3.75 C ATOM 1040 OE1 GLN A 66 -11.152 -4.553 -3.930 1.00 4.58 O ATOM 1041 NE2 GLN A 66 -11.380 -4.343 -1.776 1.00 4.78 N ATOM 0 H GLN A 66 -8.757 -4.127 -2.299 1.00 1.66 H new ATOM 0 HA GLN A 66 -7.240 -6.261 -3.632 1.00 2.08 H new ATOM 0 HB2 GLN A 66 -9.774 -6.791 -4.608 1.00 2.63 H new ATOM 0 HB3 GLN A 66 -8.946 -7.757 -3.402 1.00 2.63 H new ATOM 0 HG2 GLN A 66 -11.237 -7.171 -2.661 1.00 2.66 H new ATOM 0 HG3 GLN A 66 -10.032 -6.499 -1.580 1.00 2.66 H new ATOM 0 HE21 GLN A 66 -11.271 -4.736 -0.841 1.00 4.78 H new ATOM 0 HE22 GLN A 66 -11.773 -3.409 -1.894 1.00 4.78 H new ATOM 1050 N GLN A 67 -8.533 -3.539 -4.547 1.00 1.39 N ATOM 1051 CA GLN A 67 -8.719 -2.606 -5.651 1.00 1.24 C ATOM 1052 C GLN A 67 -7.484 -1.741 -5.902 1.00 1.03 C ATOM 1053 O GLN A 67 -6.893 -1.236 -4.966 1.00 0.94 O ATOM 1054 CB GLN A 67 -9.879 -1.746 -5.184 1.00 1.28 C ATOM 1055 CG GLN A 67 -10.447 -0.989 -6.347 1.00 2.50 C ATOM 1056 CD GLN A 67 -11.008 -1.973 -7.383 1.00 4.16 C ATOM 1057 OE1 GLN A 67 -11.117 -1.661 -8.560 1.00 5.29 O ATOM 1058 NE2 GLN A 67 -11.356 -3.175 -6.999 1.00 4.96 N ATOM 0 H GLN A 67 -8.574 -3.122 -3.617 1.00 1.39 H new ATOM 0 HA GLN A 67 -8.898 -3.122 -6.594 1.00 1.24 H new ATOM 0 HB2 GLN A 67 -10.650 -2.371 -4.733 1.00 1.28 H new ATOM 0 HB3 GLN A 67 -9.542 -1.051 -4.415 1.00 1.28 H new ATOM 0 HG2 GLN A 67 -11.235 -0.317 -6.006 1.00 2.50 H new ATOM 0 HG3 GLN A 67 -9.674 -0.369 -6.802 1.00 2.50 H new ATOM 0 HE21 GLN A 67 -11.268 -3.443 -6.019 1.00 4.96 H new ATOM 0 HE22 GLN A 67 -11.715 -3.844 -7.680 1.00 4.96 H new ATOM 1067 N HIS A 68 -7.142 -1.562 -7.157 1.00 1.27 N ATOM 1068 CA HIS A 68 -5.958 -0.713 -7.469 1.00 1.11 C ATOM 1069 C HIS A 68 -6.338 0.722 -7.110 1.00 0.85 C ATOM 1070 O HIS A 68 -7.378 1.197 -7.531 1.00 1.10 O ATOM 1071 CB HIS A 68 -5.625 -0.807 -8.956 1.00 1.35 C ATOM 1072 CG HIS A 68 -4.413 0.036 -9.337 1.00 1.38 C ATOM 1073 ND1 HIS A 68 -4.546 1.149 -9.996 1.00 1.45 N ATOM 1074 CD2 HIS A 68 -3.076 -0.108 -9.074 1.00 1.53 C ATOM 1075 CE1 HIS A 68 -3.360 1.687 -10.151 1.00 1.56 C ATOM 1076 NE2 HIS A 68 -2.468 0.916 -9.587 1.00 1.60 N ATOM 0 H HIS A 68 -7.624 -1.961 -7.962 1.00 1.27 H new ATOM 0 HA HIS A 68 -5.083 -1.040 -6.907 1.00 1.11 H new ATOM 0 HB2 HIS A 68 -5.436 -1.848 -9.218 1.00 1.35 H new ATOM 0 HB3 HIS A 68 -6.487 -0.483 -9.539 1.00 1.35 H new ATOM 0 HD1 HIS A 68 -5.425 1.538 -10.336 1.00 1.45 H new ATOM 0 HD2 HIS A 68 -2.614 -0.924 -8.538 1.00 1.53 H new ATOM 0 HE1 HIS A 68 -3.154 2.616 -10.662 1.00 1.56 H new ATOM 1084 N ILE A 69 -5.507 1.386 -6.362 1.00 0.58 N ATOM 1085 CA ILE A 69 -5.860 2.780 -5.960 1.00 0.58 C ATOM 1086 C ILE A 69 -5.019 3.800 -6.717 1.00 0.77 C ATOM 1087 O ILE A 69 -5.544 4.812 -7.125 1.00 0.96 O ATOM 1088 CB ILE A 69 -5.685 2.908 -4.435 1.00 0.74 C ATOM 1089 CG1 ILE A 69 -6.719 2.008 -3.728 1.00 1.08 C ATOM 1090 CG2 ILE A 69 -5.864 4.364 -3.975 1.00 0.81 C ATOM 1091 CD1 ILE A 69 -8.165 2.482 -3.986 1.00 1.29 C ATOM 0 H ILE A 69 -4.614 1.036 -6.015 1.00 0.58 H new ATOM 0 HA ILE A 69 -6.898 2.988 -6.218 1.00 0.58 H new ATOM 0 HB ILE A 69 -4.675 2.593 -4.174 1.00 0.74 H new ATOM 0 HG12 ILE A 69 -6.606 0.981 -4.077 1.00 1.08 H new ATOM 0 HG13 ILE A 69 -6.524 2.004 -2.656 1.00 1.08 H new ATOM 0 HG21 ILE A 69 -5.735 4.423 -2.894 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -5.121 4.994 -4.464 1.00 0.81 H new ATOM 0 HG23 ILE A 69 -6.863 4.709 -4.240 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -8.862 1.821 -3.471 1.00 1.29 H new ATOM 0 HD12 ILE A 69 -8.286 3.499 -3.614 1.00 1.29 H new ATOM 0 HD13 ILE A 69 -8.369 2.461 -5.056 1.00 1.29 H new ATOM 1103 N GLY A 70 -3.775 3.494 -6.961 1.00 0.94 N ATOM 1104 CA GLY A 70 -2.927 4.476 -7.698 1.00 1.33 C ATOM 1105 C GLY A 70 -1.483 4.410 -7.221 1.00 1.10 C ATOM 1106 O GLY A 70 -0.936 3.330 -7.079 1.00 1.63 O ATOM 0 H GLY A 70 -3.315 2.625 -6.689 1.00 0.94 H new ATOM 0 HA2 GLY A 70 -2.971 4.270 -8.768 1.00 1.33 H new ATOM 0 HA3 GLY A 70 -3.318 5.483 -7.551 1.00 1.33 H new ATOM 1110 N GLY A 71 -0.918 5.550 -6.952 1.00 1.47 N ATOM 1111 CA GLY A 71 0.500 5.605 -6.502 1.00 1.49 C ATOM 1112 C GLY A 71 0.592 6.001 -5.025 1.00 1.47 C ATOM 1113 O GLY A 71 -0.264 5.677 -4.229 1.00 1.85 O ATOM 0 H GLY A 71 -1.381 6.456 -7.025 1.00 1.47 H new ATOM 0 HA2 GLY A 71 0.971 4.633 -6.652 1.00 1.49 H new ATOM 0 HA3 GLY A 71 1.051 6.323 -7.110 1.00 1.49 H new ATOM 1117 N TYR A 72 1.658 6.673 -4.700 1.00 1.52 N ATOM 1118 CA TYR A 72 1.883 7.110 -3.293 1.00 1.47 C ATOM 1119 C TYR A 72 1.046 8.350 -2.979 1.00 1.47 C ATOM 1120 O TYR A 72 0.246 8.340 -2.082 1.00 1.50 O ATOM 1121 CB TYR A 72 3.375 7.421 -3.149 1.00 1.57 C ATOM 1122 CG TYR A 72 3.697 8.054 -1.790 1.00 1.60 C ATOM 1123 CD1 TYR A 72 3.665 7.312 -0.622 1.00 1.62 C ATOM 1124 CD2 TYR A 72 4.133 9.362 -1.734 1.00 1.77 C ATOM 1125 CE1 TYR A 72 4.091 7.867 0.569 1.00 1.70 C ATOM 1126 CE2 TYR A 72 4.553 9.913 -0.543 1.00 1.85 C ATOM 1127 CZ TYR A 72 4.541 9.162 0.616 1.00 1.77 C ATOM 1128 OH TYR A 72 5.034 9.680 1.800 1.00 1.94 O ATOM 0 H TYR A 72 2.392 6.942 -5.355 1.00 1.52 H new ATOM 0 HA TYR A 72 1.584 6.329 -2.594 1.00 1.47 H new ATOM 0 HB2 TYR A 72 3.951 6.503 -3.268 1.00 1.57 H new ATOM 0 HB3 TYR A 72 3.684 8.096 -3.947 1.00 1.57 H new ATOM 0 HD1 TYR A 72 3.305 6.294 -0.642 1.00 1.62 H new ATOM 0 HD2 TYR A 72 4.145 9.960 -2.633 1.00 1.77 H new ATOM 0 HE1 TYR A 72 4.070 7.275 1.472 1.00 1.70 H new ATOM 0 HE2 TYR A 72 4.893 10.938 -0.516 1.00 1.85 H new ATOM 0 HH TYR A 72 5.312 10.609 1.660 1.00 1.94 H new ATOM 1138 N THR A 73 1.235 9.379 -3.746 1.00 1.60 N ATOM 1139 CA THR A 73 0.483 10.654 -3.531 1.00 1.64 C ATOM 1140 C THR A 73 -1.031 10.439 -3.337 1.00 1.62 C ATOM 1141 O THR A 73 -1.573 10.723 -2.282 1.00 1.76 O ATOM 1142 CB THR A 73 0.766 11.537 -4.763 1.00 1.77 C ATOM 1143 OG1 THR A 73 1.054 10.614 -5.825 1.00 1.88 O ATOM 1144 CG2 THR A 73 2.067 12.334 -4.590 1.00 2.10 C ATOM 0 H THR A 73 1.889 9.398 -4.529 1.00 1.60 H new ATOM 0 HA THR A 73 0.817 11.128 -2.608 1.00 1.64 H new ATOM 0 HB THR A 73 -0.073 12.213 -4.930 1.00 1.77 H new ATOM 0 HG1 THR A 73 1.244 11.111 -6.648 1.00 1.88 H new ATOM 0 HG21 THR A 73 2.239 12.947 -5.475 1.00 2.10 H new ATOM 0 HG22 THR A 73 1.986 12.977 -3.714 1.00 2.10 H new ATOM 0 HG23 THR A 73 2.901 11.645 -4.458 1.00 2.10 H new ATOM 1152 N ASP A 74 -1.684 9.961 -4.358 1.00 1.65 N ATOM 1153 CA ASP A 74 -3.153 9.716 -4.262 1.00 1.72 C ATOM 1154 C ASP A 74 -3.451 8.827 -3.054 1.00 1.49 C ATOM 1155 O ASP A 74 -4.186 9.218 -2.183 1.00 1.52 O ATOM 1156 CB ASP A 74 -3.630 9.039 -5.549 1.00 1.91 C ATOM 1157 CG ASP A 74 -2.636 7.950 -5.942 1.00 1.83 C ATOM 1158 OD1 ASP A 74 -1.592 8.323 -6.462 1.00 2.70 O ATOM 1159 OD2 ASP A 74 -2.942 6.817 -5.659 1.00 2.73 O ATOM 0 H ASP A 74 -1.264 9.728 -5.258 1.00 1.65 H new ATOM 0 HA ASP A 74 -3.679 10.662 -4.135 1.00 1.72 H new ATOM 0 HB2 ASP A 74 -4.620 8.608 -5.402 1.00 1.91 H new ATOM 0 HB3 ASP A 74 -3.718 9.774 -6.349 1.00 1.91 H new ATOM 1164 N PHE A 75 -2.899 7.645 -3.050 1.00 1.31 N ATOM 1165 CA PHE A 75 -3.105 6.707 -1.907 1.00 1.11 C ATOM 1166 C PHE A 75 -2.967 7.470 -0.578 1.00 1.07 C ATOM 1167 O PHE A 75 -3.800 7.359 0.283 1.00 1.02 O ATOM 1168 CB PHE A 75 -2.045 5.608 -2.030 1.00 1.11 C ATOM 1169 CG PHE A 75 -2.176 4.518 -0.955 1.00 0.86 C ATOM 1170 CD1 PHE A 75 -3.374 4.248 -0.313 1.00 1.08 C ATOM 1171 CD2 PHE A 75 -1.069 3.750 -0.649 1.00 0.99 C ATOM 1172 CE1 PHE A 75 -3.450 3.229 0.614 1.00 0.88 C ATOM 1173 CE2 PHE A 75 -1.149 2.735 0.279 1.00 1.29 C ATOM 1174 CZ PHE A 75 -2.339 2.475 0.908 1.00 1.02 C ATOM 0 H PHE A 75 -2.307 7.284 -3.798 1.00 1.31 H new ATOM 0 HA PHE A 75 -4.102 6.266 -1.926 1.00 1.11 H new ATOM 0 HB2 PHE A 75 -2.120 5.148 -3.015 1.00 1.11 H new ATOM 0 HB3 PHE A 75 -1.055 6.058 -1.963 1.00 1.11 H new ATOM 0 HD1 PHE A 75 -4.251 4.837 -0.539 1.00 1.08 H new ATOM 0 HD2 PHE A 75 -0.129 3.948 -1.143 1.00 0.99 H new ATOM 0 HE1 PHE A 75 -4.387 3.023 1.111 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.275 2.145 0.511 1.00 1.29 H new ATOM 0 HZ PHE A 75 -2.404 1.678 1.634 1.00 1.02 H new ATOM 1184 N ALA A 76 -1.913 8.239 -0.464 1.00 1.18 N ATOM 1185 CA ALA A 76 -1.662 9.054 0.766 1.00 1.26 C ATOM 1186 C ALA A 76 -2.861 9.977 1.036 1.00 1.29 C ATOM 1187 O ALA A 76 -3.479 9.917 2.085 1.00 1.29 O ATOM 1188 CB ALA A 76 -0.393 9.888 0.517 1.00 1.42 C ATOM 0 H ALA A 76 -1.201 8.338 -1.187 1.00 1.18 H new ATOM 0 HA ALA A 76 -1.529 8.410 1.636 1.00 1.26 H new ATOM 0 HB1 ALA A 76 -0.179 10.496 1.396 1.00 1.42 H new ATOM 0 HB2 ALA A 76 0.448 9.222 0.323 1.00 1.42 H new ATOM 0 HB3 ALA A 76 -0.548 10.537 -0.345 1.00 1.42 H new ATOM 1194 N ALA A 77 -3.145 10.818 0.077 1.00 1.40 N ATOM 1195 CA ALA A 77 -4.297 11.749 0.214 1.00 1.46 C ATOM 1196 C ALA A 77 -5.538 10.928 0.554 1.00 1.40 C ATOM 1197 O ALA A 77 -6.106 11.069 1.613 1.00 1.38 O ATOM 1198 CB ALA A 77 -4.500 12.489 -1.114 1.00 1.55 C ATOM 0 H ALA A 77 -2.626 10.898 -0.797 1.00 1.40 H new ATOM 0 HA ALA A 77 -4.114 12.479 1.002 1.00 1.46 H new ATOM 0 HB1 ALA A 77 -5.343 13.174 -1.024 1.00 1.55 H new ATOM 0 HB2 ALA A 77 -3.599 13.052 -1.358 1.00 1.55 H new ATOM 0 HB3 ALA A 77 -4.702 11.767 -1.905 1.00 1.55 H new ATOM 1204 N TRP A 78 -5.902 10.069 -0.357 1.00 1.42 N ATOM 1205 CA TRP A 78 -7.088 9.177 -0.164 1.00 1.40 C ATOM 1206 C TRP A 78 -7.108 8.650 1.275 1.00 1.24 C ATOM 1207 O TRP A 78 -8.059 8.868 2.000 1.00 1.34 O ATOM 1208 CB TRP A 78 -6.965 8.005 -1.153 1.00 1.48 C ATOM 1209 CG TRP A 78 -7.954 6.855 -0.948 1.00 1.41 C ATOM 1210 CD1 TRP A 78 -9.218 6.766 -1.451 1.00 1.60 C ATOM 1211 CD2 TRP A 78 -7.836 5.752 -0.139 1.00 1.20 C ATOM 1212 NE1 TRP A 78 -9.814 5.710 -0.977 1.00 1.49 N ATOM 1213 CE2 TRP A 78 -9.024 5.047 -0.157 1.00 1.26 C ATOM 1214 CE3 TRP A 78 -6.762 5.333 0.615 1.00 1.08 C ATOM 1215 CZ2 TRP A 78 -9.165 3.910 0.599 1.00 1.17 C ATOM 1216 CZ3 TRP A 78 -6.916 4.183 1.373 1.00 1.09 C ATOM 1217 CH2 TRP A 78 -8.106 3.478 1.368 1.00 1.12 C ATOM 0 H TRP A 78 -5.419 9.943 -1.247 1.00 1.42 H new ATOM 0 HA TRP A 78 -8.013 9.725 -0.344 1.00 1.40 H new ATOM 0 HB2 TRP A 78 -7.092 8.392 -2.164 1.00 1.48 H new ATOM 0 HB3 TRP A 78 -5.953 7.605 -1.089 1.00 1.48 H new ATOM 0 HD1 TRP A 78 -9.660 7.469 -2.142 1.00 1.60 H new ATOM 0 HE1 TRP A 78 -10.767 5.432 -1.210 1.00 1.49 H new ATOM 0 HE3 TRP A 78 -5.832 5.882 0.615 1.00 1.08 H new ATOM 0 HZ2 TRP A 78 -10.095 3.360 0.591 1.00 1.17 H new ATOM 0 HZ3 TRP A 78 -6.093 3.831 1.978 1.00 1.09 H new ATOM 0 HH2 TRP A 78 -8.206 2.586 1.969 1.00 1.12 H new ATOM 1228 N VAL A 79 -6.051 7.946 1.618 1.00 1.05 N ATOM 1229 CA VAL A 79 -5.903 7.381 2.989 1.00 0.98 C ATOM 1230 C VAL A 79 -6.391 8.430 3.964 1.00 1.08 C ATOM 1231 O VAL A 79 -7.368 8.228 4.657 1.00 1.22 O ATOM 1232 CB VAL A 79 -4.411 7.070 3.250 1.00 0.95 C ATOM 1233 CG1 VAL A 79 -4.110 7.066 4.751 1.00 1.05 C ATOM 1234 CG2 VAL A 79 -4.048 5.685 2.701 1.00 0.95 C ATOM 0 H VAL A 79 -5.275 7.739 0.990 1.00 1.05 H new ATOM 0 HA VAL A 79 -6.476 6.461 3.102 1.00 0.98 H new ATOM 0 HB VAL A 79 -3.827 7.844 2.752 1.00 0.95 H new ATOM 0 HG11 VAL A 79 -3.055 6.845 4.910 1.00 1.05 H new ATOM 0 HG12 VAL A 79 -4.343 8.044 5.171 1.00 1.05 H new ATOM 0 HG13 VAL A 79 -4.718 6.306 5.242 1.00 1.05 H new ATOM 0 HG21 VAL A 79 -2.994 5.482 2.893 1.00 0.95 H new ATOM 0 HG22 VAL A 79 -4.659 4.927 3.192 1.00 0.95 H new ATOM 0 HG23 VAL A 79 -4.232 5.660 1.627 1.00 0.95 H new ATOM 1244 N LYS A 80 -5.684 9.532 3.965 1.00 1.17 N ATOM 1245 CA LYS A 80 -6.047 10.657 4.865 1.00 1.39 C ATOM 1246 C LYS A 80 -7.563 10.889 4.821 1.00 1.59 C ATOM 1247 O LYS A 80 -8.240 10.836 5.833 1.00 2.16 O ATOM 1248 CB LYS A 80 -5.313 11.921 4.370 1.00 1.45 C ATOM 1249 CG LYS A 80 -4.746 12.737 5.548 1.00 1.67 C ATOM 1250 CD LYS A 80 -5.844 13.127 6.555 1.00 2.72 C ATOM 1251 CE LYS A 80 -6.883 14.052 5.908 1.00 2.15 C ATOM 1252 NZ LYS A 80 -8.226 13.410 5.898 1.00 2.67 N ATOM 0 H LYS A 80 -4.868 9.697 3.376 1.00 1.17 H new ATOM 0 HA LYS A 80 -5.759 10.428 5.891 1.00 1.39 H new ATOM 0 HB2 LYS A 80 -4.502 11.634 3.700 1.00 1.45 H new ATOM 0 HB3 LYS A 80 -6.000 12.540 3.793 1.00 1.45 H new ATOM 0 HG2 LYS A 80 -3.977 12.155 6.056 1.00 1.67 H new ATOM 0 HG3 LYS A 80 -4.265 13.638 5.168 1.00 1.67 H new ATOM 0 HD2 LYS A 80 -6.335 12.228 6.929 1.00 2.72 H new ATOM 0 HD3 LYS A 80 -5.394 13.625 7.414 1.00 2.72 H new ATOM 0 HE2 LYS A 80 -6.929 14.994 6.455 1.00 2.15 H new ATOM 0 HE3 LYS A 80 -6.581 14.290 4.888 1.00 2.15 H new ATOM 0 HZ1 LYS A 80 -8.602 13.407 4.928 1.00 2.67 H new ATOM 0 HZ2 LYS A 80 -8.146 12.432 6.241 1.00 2.67 H new ATOM 0 HZ3 LYS A 80 -8.870 13.942 6.517 1.00 2.67 H new ATOM 1266 N GLU A 81 -8.064 11.085 3.638 1.00 1.41 N ATOM 1267 CA GLU A 81 -9.522 11.366 3.472 1.00 1.60 C ATOM 1268 C GLU A 81 -10.393 10.099 3.523 1.00 1.35 C ATOM 1269 O GLU A 81 -11.421 10.050 2.875 1.00 1.49 O ATOM 1270 CB GLU A 81 -9.730 12.055 2.108 1.00 1.92 C ATOM 1271 CG GLU A 81 -8.613 13.081 1.796 1.00 2.23 C ATOM 1272 CD GLU A 81 -8.461 14.178 2.862 1.00 4.19 C ATOM 1273 OE1 GLU A 81 -9.354 14.301 3.689 1.00 5.56 O ATOM 1274 OE2 GLU A 81 -7.439 14.839 2.790 1.00 4.85 O ATOM 0 H GLU A 81 -7.527 11.064 2.771 1.00 1.41 H new ATOM 0 HA GLU A 81 -9.831 12.000 4.303 1.00 1.60 H new ATOM 0 HB2 GLU A 81 -9.758 11.300 1.322 1.00 1.92 H new ATOM 0 HB3 GLU A 81 -10.697 12.559 2.101 1.00 1.92 H new ATOM 0 HG2 GLU A 81 -7.665 12.552 1.695 1.00 2.23 H new ATOM 0 HG3 GLU A 81 -8.821 13.549 0.834 1.00 2.23 H new ATOM 1281 N ASN A 82 -9.937 9.084 4.200 1.00 1.60 N ATOM 1282 CA ASN A 82 -10.754 7.831 4.321 1.00 1.41 C ATOM 1283 C ASN A 82 -10.618 7.206 5.707 1.00 1.40 C ATOM 1284 O ASN A 82 -11.582 6.778 6.296 1.00 1.50 O ATOM 1285 CB ASN A 82 -10.297 6.789 3.290 1.00 1.41 C ATOM 1286 CG ASN A 82 -10.944 7.074 1.940 1.00 1.34 C ATOM 1287 OD1 ASN A 82 -11.784 6.336 1.466 1.00 1.45 O ATOM 1288 ND2 ASN A 82 -10.573 8.125 1.291 1.00 1.73 N ATOM 0 H ASN A 82 -9.036 9.061 4.677 1.00 1.60 H new ATOM 0 HA ASN A 82 -11.792 8.113 4.147 1.00 1.41 H new ATOM 0 HB2 ASN A 82 -9.211 6.812 3.194 1.00 1.41 H new ATOM 0 HB3 ASN A 82 -10.567 5.788 3.628 1.00 1.41 H new ATOM 0 HD21 ASN A 82 -10.985 8.335 0.382 1.00 1.73 H new ATOM 0 HD22 ASN A 82 -9.868 8.746 1.687 1.00 1.73 H new ATOM 1295 N LEU A 83 -9.419 7.162 6.198 1.00 1.36 N ATOM 1296 CA LEU A 83 -9.195 6.523 7.533 1.00 1.44 C ATOM 1297 C LEU A 83 -9.216 7.548 8.662 1.00 1.64 C ATOM 1298 O LEU A 83 -9.105 7.190 9.826 1.00 1.77 O ATOM 1299 CB LEU A 83 -7.845 5.801 7.501 1.00 1.38 C ATOM 1300 CG LEU A 83 -7.709 5.041 6.167 1.00 1.09 C ATOM 1301 CD1 LEU A 83 -6.419 4.222 6.153 1.00 1.08 C ATOM 1302 CD2 LEU A 83 -8.899 4.095 5.989 1.00 1.09 C ATOM 0 H LEU A 83 -8.585 7.535 5.744 1.00 1.36 H new ATOM 0 HA LEU A 83 -10.003 5.817 7.727 1.00 1.44 H new ATOM 0 HB2 LEU A 83 -7.032 6.519 7.609 1.00 1.38 H new ATOM 0 HB3 LEU A 83 -7.770 5.107 8.338 1.00 1.38 H new ATOM 0 HG LEU A 83 -7.685 5.767 5.354 1.00 1.09 H new ATOM 0 HD11 LEU A 83 -6.336 3.690 5.205 1.00 1.08 H new ATOM 0 HD12 LEU A 83 -5.564 4.888 6.272 1.00 1.08 H new ATOM 0 HD13 LEU A 83 -6.436 3.503 6.972 1.00 1.08 H new ATOM 0 HD21 LEU A 83 -8.800 3.559 5.045 1.00 1.09 H new ATOM 0 HD22 LEU A 83 -8.922 3.380 6.811 1.00 1.09 H new ATOM 0 HD23 LEU A 83 -9.824 4.671 5.984 1.00 1.09 H new ATOM 1314 N ASP A 84 -9.335 8.793 8.282 1.00 1.80 N ATOM 1315 CA ASP A 84 -9.387 9.896 9.292 1.00 2.02 C ATOM 1316 C ASP A 84 -10.736 10.602 9.173 1.00 2.52 C ATOM 1317 O ASP A 84 -11.397 10.854 10.157 1.00 3.25 O ATOM 1318 CB ASP A 84 -8.260 10.910 9.023 1.00 2.32 C ATOM 1319 CG ASP A 84 -6.881 10.230 8.988 1.00 2.77 C ATOM 1320 OD1 ASP A 84 -6.827 9.029 9.208 1.00 3.60 O ATOM 1321 OD2 ASP A 84 -5.941 10.954 8.741 1.00 3.24 O ATOM 0 H ASP A 84 -9.399 9.097 7.310 1.00 1.80 H new ATOM 0 HA ASP A 84 -9.261 9.482 10.292 1.00 2.02 H new ATOM 0 HB2 ASP A 84 -8.442 11.413 8.073 1.00 2.32 H new ATOM 0 HB3 ASP A 84 -8.268 11.677 9.797 1.00 2.32 H new ATOM 1326 N ALA A 85 -11.074 10.936 7.953 1.00 2.55 N ATOM 1327 CA ALA A 85 -12.371 11.618 7.662 1.00 3.48 C ATOM 1328 C ALA A 85 -13.150 10.779 6.641 1.00 4.59 C ATOM 1329 O ALA A 85 -14.295 10.466 6.944 1.00 5.72 O ATOM 1330 CB ALA A 85 -12.099 13.009 7.074 1.00 3.77 C ATOM 0 H ALA A 85 -10.495 10.761 7.132 1.00 2.55 H new ATOM 0 HA ALA A 85 -12.949 11.722 8.580 1.00 3.48 H new ATOM 0 HB1 ALA A 85 -13.046 13.506 6.862 1.00 3.77 H new ATOM 0 HB2 ALA A 85 -11.530 13.602 7.790 1.00 3.77 H new ATOM 0 HB3 ALA A 85 -11.527 12.909 6.151 1.00 3.77 H new TER 1336 ALA A 85