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 45 LYS NZ :NH3+ -121:sc= -3.64! (180deg=-6.1!) USER MOD Set 1.2: A 61 GLN : amide:sc= -4.58! C(o=-17!,f=-26!) USER MOD Set 1.3: A 68 HIS : no HE2:sc= -8.35! C(o=-17!,f=-15!) USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0.833 USER MOD Set 2.2: A 58 THR OG1 : rot -154:sc= 1.22 USER MOD Set 3.1: A 49 GLN : amide:sc= -1.87 K(o=-1.5,f=-2.9) USER MOD Set 3.2: A 50 GLN : amide:sc= 0.333 K(o=-1.5,f=-2.9) USER MOD Set 4.1: A 1 MET N :NH3+ -169:sc= -0.0455 (180deg=-0.862) USER MOD Set 4.2: A 2 GLN : amide:sc= -4.14! C(o=-4.2!,f=-12!) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.113 (180deg=-0.435) USER MOD Single : A 3 THR OG1 : rot 145:sc= 0.585 USER MOD Single : A 9 SER OG : rot -140:sc= -1.5! USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= -0.133! (180deg=-0.725) USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= -0.696 (180deg=-2.66!) USER MOD Single : A 25 SER OG : rot 163:sc= 1.03 USER MOD Single : A 26 ASN : amide:sc= -0.963 K(o=-0.96,f=-0.13) USER MOD Single : A 32 GLN : amide:sc= 0.223 X(o=0.22,f=-0.1) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0138 USER MOD Single : A 34 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.42) USER MOD Single : A 35 TYR OH : rot -140:sc= -0.178 USER MOD Single : A 44 THR OG1 : rot 140:sc= 0.917 USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= -2.12! (180deg=-5.7!) USER MOD Single : A 54 LYS NZ :NH3+ -136:sc= -1.91! (180deg=-3.58!) USER MOD Single : A 66 GLN : amide:sc= -0.514 K(o=-0.51,f=-3.9!) USER MOD Single : A 67 GLN : amide:sc= -2.88! C(o=-2.9!,f=-1.7!) USER MOD Single : A 72 TYR OH : rot -173:sc= 0.118 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 80 LYS NZ :NH3+ -128:sc= -7.14! (180deg=-15.5!) USER MOD Single : A 82 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.556 -4.267 6.997 1.00 1.81 N ATOM 2 CA MET A 1 -8.181 -3.813 5.627 1.00 1.27 C ATOM 3 C MET A 1 -6.778 -4.362 5.339 1.00 1.15 C ATOM 4 O MET A 1 -5.855 -4.037 6.059 1.00 1.24 O ATOM 5 CB MET A 1 -8.166 -2.275 5.551 1.00 1.32 C ATOM 6 CG MET A 1 -9.550 -1.708 5.920 1.00 1.80 C ATOM 7 SD MET A 1 -9.714 0.097 5.989 1.00 2.13 S ATOM 8 CE MET A 1 -9.863 0.394 4.209 1.00 1.45 C ATOM 0 H1 MET A 1 -9.565 -4.078 7.161 1.00 1.81 H new ATOM 0 H2 MET A 1 -8.376 -5.287 7.086 1.00 1.81 H new ATOM 0 H3 MET A 1 -7.988 -3.753 7.701 1.00 1.81 H new ATOM 0 HA MET A 1 -8.904 -4.174 4.895 1.00 1.27 H new ATOM 0 HB2 MET A 1 -7.410 -1.878 6.229 1.00 1.32 H new ATOM 0 HB3 MET A 1 -7.891 -1.956 4.545 1.00 1.32 H new ATOM 0 HG2 MET A 1 -10.273 -2.086 5.197 1.00 1.80 H new ATOM 0 HG3 MET A 1 -9.832 -2.110 6.893 1.00 1.80 H new ATOM 0 HE1 MET A 1 -10.237 1.404 4.039 1.00 1.45 H new ATOM 0 HE2 MET A 1 -8.886 0.285 3.739 1.00 1.45 H new ATOM 0 HE3 MET A 1 -10.556 -0.327 3.777 1.00 1.45 H new ATOM 18 N GLN A 2 -6.621 -5.159 4.313 1.00 1.15 N ATOM 19 CA GLN A 2 -5.264 -5.728 4.040 1.00 1.13 C ATOM 20 C GLN A 2 -4.678 -5.106 2.773 1.00 1.14 C ATOM 21 O GLN A 2 -5.099 -5.426 1.687 1.00 1.79 O ATOM 22 CB GLN A 2 -5.397 -7.254 3.877 1.00 1.31 C ATOM 23 CG GLN A 2 -6.131 -7.863 5.089 1.00 1.90 C ATOM 24 CD GLN A 2 -7.615 -7.487 5.029 1.00 2.89 C ATOM 25 OE1 GLN A 2 -8.107 -6.718 5.841 1.00 4.09 O ATOM 26 NE2 GLN A 2 -8.342 -7.959 4.058 1.00 3.62 N ATOM 0 H GLN A 2 -7.357 -5.437 3.663 1.00 1.15 H new ATOM 0 HA GLN A 2 -4.592 -5.504 4.869 1.00 1.13 H new ATOM 0 HB2 GLN A 2 -5.943 -7.482 2.961 1.00 1.31 H new ATOM 0 HB3 GLN A 2 -4.409 -7.703 3.779 1.00 1.31 H new ATOM 0 HG2 GLN A 2 -6.019 -8.947 5.088 1.00 1.90 H new ATOM 0 HG3 GLN A 2 -5.689 -7.498 6.016 1.00 1.90 H new ATOM 0 HE21 GLN A 2 -7.932 -8.601 3.380 1.00 3.62 H new ATOM 0 HE22 GLN A 2 -9.322 -7.687 3.975 1.00 3.62 H new ATOM 35 N THR A 3 -3.733 -4.221 2.924 1.00 0.58 N ATOM 36 CA THR A 3 -3.149 -3.578 1.711 1.00 0.60 C ATOM 37 C THR A 3 -1.985 -4.401 1.153 1.00 0.57 C ATOM 38 O THR A 3 -1.233 -5.018 1.874 1.00 0.65 O ATOM 39 CB THR A 3 -2.646 -2.168 2.074 1.00 0.62 C ATOM 40 OG1 THR A 3 -3.813 -1.418 2.392 1.00 0.75 O ATOM 41 CG2 THR A 3 -2.047 -1.441 0.865 1.00 0.84 C ATOM 0 H THR A 3 -3.344 -3.918 3.817 1.00 0.58 H new ATOM 0 HA THR A 3 -3.925 -3.519 0.948 1.00 0.60 H new ATOM 0 HB THR A 3 -1.900 -2.253 2.864 1.00 0.62 H new ATOM 0 HG1 THR A 3 -3.607 -0.781 3.107 1.00 0.75 H new ATOM 0 HG21 THR A 3 -1.706 -0.451 1.168 1.00 0.84 H new ATOM 0 HG22 THR A 3 -1.204 -2.013 0.478 1.00 0.84 H new ATOM 0 HG23 THR A 3 -2.805 -1.341 0.088 1.00 0.84 H new ATOM 49 N VAL A 4 -1.869 -4.369 -0.142 1.00 0.53 N ATOM 50 CA VAL A 4 -0.785 -5.091 -0.859 1.00 0.51 C ATOM 51 C VAL A 4 0.016 -4.045 -1.631 1.00 0.48 C ATOM 52 O VAL A 4 -0.573 -3.149 -2.215 1.00 0.51 O ATOM 53 CB VAL A 4 -1.421 -6.093 -1.836 1.00 0.54 C ATOM 54 CG1 VAL A 4 -0.321 -6.883 -2.552 1.00 0.62 C ATOM 55 CG2 VAL A 4 -2.338 -7.059 -1.070 1.00 0.72 C ATOM 0 H VAL A 4 -2.503 -3.854 -0.754 1.00 0.53 H new ATOM 0 HA VAL A 4 -0.138 -5.634 -0.170 1.00 0.51 H new ATOM 0 HB VAL A 4 -2.012 -5.549 -2.573 1.00 0.54 H new ATOM 0 HG11 VAL A 4 -0.774 -7.593 -3.244 1.00 0.62 H new ATOM 0 HG12 VAL A 4 0.319 -6.196 -3.105 1.00 0.62 H new ATOM 0 HG13 VAL A 4 0.276 -7.424 -1.817 1.00 0.62 H new ATOM 0 HG21 VAL A 4 -2.786 -7.766 -1.768 1.00 0.72 H new ATOM 0 HG22 VAL A 4 -1.754 -7.602 -0.327 1.00 0.72 H new ATOM 0 HG23 VAL A 4 -3.125 -6.494 -0.571 1.00 0.72 H new ATOM 65 N ILE A 5 1.318 -4.160 -1.587 1.00 0.48 N ATOM 66 CA ILE A 5 2.186 -3.184 -2.313 1.00 0.46 C ATOM 67 C ILE A 5 2.912 -3.924 -3.441 1.00 0.39 C ATOM 68 O ILE A 5 3.791 -4.706 -3.155 1.00 0.51 O ATOM 69 CB ILE A 5 3.233 -2.615 -1.328 1.00 0.58 C ATOM 70 CG1 ILE A 5 2.594 -2.292 0.045 1.00 0.92 C ATOM 71 CG2 ILE A 5 3.885 -1.356 -1.932 1.00 0.57 C ATOM 72 CD1 ILE A 5 1.633 -1.107 -0.044 1.00 1.40 C ATOM 0 H ILE A 5 1.819 -4.889 -1.079 1.00 0.48 H new ATOM 0 HA ILE A 5 1.584 -2.373 -2.721 1.00 0.46 H new ATOM 0 HB ILE A 5 4.000 -3.372 -1.164 1.00 0.58 H new ATOM 0 HG12 ILE A 5 2.059 -3.168 0.413 1.00 0.92 H new ATOM 0 HG13 ILE A 5 3.379 -2.071 0.769 1.00 0.92 H new ATOM 0 HG21 ILE A 5 4.622 -0.958 -1.235 1.00 0.57 H new ATOM 0 HG22 ILE A 5 4.376 -1.615 -2.870 1.00 0.57 H new ATOM 0 HG23 ILE A 5 3.119 -0.603 -2.119 1.00 0.57 H new ATOM 0 HD11 ILE A 5 1.205 -0.911 0.939 1.00 1.40 H new ATOM 0 HD12 ILE A 5 2.174 -0.225 -0.387 1.00 1.40 H new ATOM 0 HD13 ILE A 5 0.834 -1.339 -0.748 1.00 1.40 H new ATOM 84 N PHE A 6 2.546 -3.687 -4.681 1.00 0.36 N ATOM 85 CA PHE A 6 3.232 -4.391 -5.811 1.00 0.37 C ATOM 86 C PHE A 6 4.357 -3.497 -6.337 1.00 0.45 C ATOM 87 O PHE A 6 4.079 -2.490 -6.977 1.00 0.68 O ATOM 88 CB PHE A 6 2.254 -4.627 -6.971 1.00 0.44 C ATOM 89 CG PHE A 6 1.131 -5.597 -6.600 1.00 0.49 C ATOM 90 CD1 PHE A 6 0.084 -5.191 -5.791 1.00 0.77 C ATOM 91 CD2 PHE A 6 1.110 -6.872 -7.136 1.00 0.62 C ATOM 92 CE1 PHE A 6 -0.967 -6.045 -5.529 1.00 0.89 C ATOM 93 CE2 PHE A 6 0.055 -7.720 -6.878 1.00 0.69 C ATOM 94 CZ PHE A 6 -0.983 -7.307 -6.077 1.00 0.72 C ATOM 0 H PHE A 6 1.807 -3.041 -4.957 1.00 0.36 H new ATOM 0 HA PHE A 6 3.613 -5.345 -5.446 1.00 0.37 H new ATOM 0 HB2 PHE A 6 1.821 -3.675 -7.277 1.00 0.44 H new ATOM 0 HB3 PHE A 6 2.800 -5.019 -7.829 1.00 0.44 H new ATOM 0 HD1 PHE A 6 0.090 -4.200 -5.362 1.00 0.77 H new ATOM 0 HD2 PHE A 6 1.926 -7.205 -7.761 1.00 0.62 H new ATOM 0 HE1 PHE A 6 -1.778 -5.723 -4.893 1.00 0.89 H new ATOM 0 HE2 PHE A 6 0.044 -8.711 -7.306 1.00 0.69 H new ATOM 0 HZ PHE A 6 -1.810 -7.972 -5.878 1.00 0.72 H new ATOM 104 N GLY A 7 5.571 -3.837 -5.987 1.00 0.62 N ATOM 105 CA GLY A 7 6.763 -3.050 -6.446 1.00 0.74 C ATOM 106 C GLY A 7 7.750 -4.025 -7.091 1.00 1.08 C ATOM 107 O GLY A 7 7.363 -5.117 -7.434 1.00 1.25 O ATOM 0 H GLY A 7 5.793 -4.637 -5.395 1.00 0.62 H new ATOM 0 HA2 GLY A 7 6.462 -2.283 -7.160 1.00 0.74 H new ATOM 0 HA3 GLY A 7 7.228 -2.537 -5.605 1.00 0.74 H new ATOM 111 N ARG A 8 8.999 -3.657 -7.237 1.00 1.30 N ATOM 112 CA ARG A 8 9.954 -4.625 -7.882 1.00 1.78 C ATOM 113 C ARG A 8 11.199 -4.900 -7.021 1.00 2.16 C ATOM 114 O ARG A 8 12.269 -5.198 -7.538 1.00 3.47 O ATOM 115 CB ARG A 8 10.364 -4.084 -9.262 1.00 2.02 C ATOM 116 CG ARG A 8 10.881 -2.643 -9.157 1.00 2.21 C ATOM 117 CD ARG A 8 12.237 -2.528 -9.859 1.00 2.69 C ATOM 118 NE ARG A 8 13.255 -3.259 -9.045 1.00 2.93 N ATOM 119 CZ ARG A 8 14.345 -2.641 -8.691 1.00 4.10 C ATOM 120 NH1 ARG A 8 15.364 -2.653 -9.498 1.00 4.97 N ATOM 121 NH2 ARG A 8 14.352 -2.030 -7.553 1.00 4.94 N ATOM 0 H ARG A 8 9.394 -2.761 -6.950 1.00 1.30 H new ATOM 0 HA ARG A 8 9.438 -5.579 -7.988 1.00 1.78 H new ATOM 0 HB2 ARG A 8 11.137 -4.721 -9.691 1.00 2.02 H new ATOM 0 HB3 ARG A 8 9.510 -4.119 -9.939 1.00 2.02 H new ATOM 0 HG2 ARG A 8 10.166 -1.956 -9.611 1.00 2.21 H new ATOM 0 HG3 ARG A 8 10.977 -2.357 -8.110 1.00 2.21 H new ATOM 0 HD2 ARG A 8 12.181 -2.949 -10.863 1.00 2.69 H new ATOM 0 HD3 ARG A 8 12.520 -1.481 -9.968 1.00 2.69 H new ATOM 0 HE ARG A 8 13.098 -4.229 -8.770 1.00 2.93 H new ATOM 0 HH11 ARG A 8 15.301 -3.141 -10.391 1.00 4.97 H new ATOM 0 HH12 ARG A 8 16.226 -2.174 -9.238 1.00 4.97 H new ATOM 0 HH21 ARG A 8 13.520 -2.042 -6.963 1.00 4.94 H new ATOM 0 HH22 ARG A 8 15.189 -1.536 -7.245 1.00 4.94 H new ATOM 135 N SER A 9 11.006 -4.836 -5.729 1.00 1.95 N ATOM 136 CA SER A 9 12.119 -5.088 -4.758 1.00 2.32 C ATOM 137 C SER A 9 13.161 -3.970 -4.856 1.00 2.24 C ATOM 138 O SER A 9 13.057 -3.124 -5.698 1.00 3.15 O ATOM 139 CB SER A 9 12.790 -6.441 -5.055 1.00 2.90 C ATOM 140 OG SER A 9 11.713 -7.361 -5.191 1.00 3.52 O ATOM 0 H SER A 9 10.109 -4.616 -5.296 1.00 1.95 H new ATOM 0 HA SER A 9 11.703 -5.109 -3.751 1.00 2.32 H new ATOM 0 HB2 SER A 9 13.387 -6.394 -5.966 1.00 2.90 H new ATOM 0 HB3 SER A 9 13.461 -6.735 -4.248 1.00 2.90 H new ATOM 0 HG SER A 9 11.953 -8.210 -4.765 1.00 3.52 H new ATOM 146 N GLY A 10 14.132 -4.017 -3.984 1.00 2.53 N ATOM 147 CA GLY A 10 15.246 -2.998 -3.930 1.00 2.74 C ATOM 148 C GLY A 10 15.023 -1.708 -4.747 1.00 2.45 C ATOM 149 O GLY A 10 15.861 -1.340 -5.556 1.00 2.75 O ATOM 0 H GLY A 10 14.209 -4.746 -3.275 1.00 2.53 H new ATOM 0 HA2 GLY A 10 15.408 -2.721 -2.888 1.00 2.74 H new ATOM 0 HA3 GLY A 10 16.163 -3.472 -4.280 1.00 2.74 H new ATOM 153 N CYS A 11 13.906 -1.061 -4.556 1.00 2.13 N ATOM 154 CA CYS A 11 13.645 0.219 -5.285 1.00 1.99 C ATOM 155 C CYS A 11 13.189 1.253 -4.258 1.00 2.04 C ATOM 156 O CYS A 11 12.068 1.202 -3.799 1.00 2.16 O ATOM 157 CB CYS A 11 12.569 0.047 -6.373 1.00 1.73 C ATOM 158 SG CYS A 11 11.338 -1.260 -6.180 1.00 1.73 S ATOM 0 H CYS A 11 13.161 -1.361 -3.927 1.00 2.13 H new ATOM 0 HA CYS A 11 14.557 0.541 -5.787 1.00 1.99 H new ATOM 0 HB2 CYS A 11 12.035 0.993 -6.461 1.00 1.73 H new ATOM 0 HB3 CYS A 11 13.081 -0.119 -7.321 1.00 1.73 H new ATOM 163 N PRO A 12 14.081 2.142 -3.863 1.00 2.30 N ATOM 164 CA PRO A 12 13.760 3.169 -2.845 1.00 2.30 C ATOM 165 C PRO A 12 12.360 3.743 -3.080 1.00 1.95 C ATOM 166 O PRO A 12 11.556 3.833 -2.173 1.00 2.07 O ATOM 167 CB PRO A 12 14.866 4.214 -3.018 1.00 2.80 C ATOM 168 CG PRO A 12 16.061 3.446 -3.627 1.00 3.40 C ATOM 169 CD PRO A 12 15.455 2.275 -4.422 1.00 2.83 C ATOM 0 HA PRO A 12 13.734 2.781 -1.827 1.00 2.30 H new ATOM 0 HB2 PRO A 12 14.544 5.023 -3.673 1.00 2.80 H new ATOM 0 HB3 PRO A 12 15.134 4.665 -2.063 1.00 2.80 H new ATOM 0 HG2 PRO A 12 16.651 4.094 -4.276 1.00 3.40 H new ATOM 0 HG3 PRO A 12 16.729 3.083 -2.846 1.00 3.40 H new ATOM 0 HD2 PRO A 12 15.434 2.486 -5.491 1.00 2.83 H new ATOM 0 HD3 PRO A 12 16.032 1.360 -4.289 1.00 2.83 H new ATOM 177 N TYR A 13 12.089 4.083 -4.316 1.00 1.89 N ATOM 178 CA TYR A 13 10.742 4.653 -4.637 1.00 1.79 C ATOM 179 C TYR A 13 9.650 3.659 -4.206 1.00 1.41 C ATOM 180 O TYR A 13 8.660 4.048 -3.615 1.00 1.47 O ATOM 181 CB TYR A 13 10.644 4.930 -6.145 1.00 2.15 C ATOM 182 CG TYR A 13 9.507 5.929 -6.429 1.00 1.73 C ATOM 183 CD1 TYR A 13 8.188 5.558 -6.281 1.00 1.90 C ATOM 184 CD2 TYR A 13 9.786 7.212 -6.872 1.00 2.06 C ATOM 185 CE1 TYR A 13 7.173 6.446 -6.572 1.00 2.07 C ATOM 186 CE2 TYR A 13 8.763 8.093 -7.169 1.00 2.17 C ATOM 187 CZ TYR A 13 7.448 7.712 -7.024 1.00 2.05 C ATOM 188 OH TYR A 13 6.415 8.567 -7.343 1.00 2.61 O ATOM 0 H TYR A 13 12.729 3.993 -5.105 1.00 1.89 H new ATOM 0 HA TYR A 13 10.603 5.590 -4.098 1.00 1.79 H new ATOM 0 HB2 TYR A 13 11.590 5.330 -6.511 1.00 2.15 H new ATOM 0 HB3 TYR A 13 10.463 3.999 -6.682 1.00 2.15 H new ATOM 0 HD1 TYR A 13 7.947 4.564 -5.934 1.00 1.90 H new ATOM 0 HD2 TYR A 13 10.813 7.527 -6.986 1.00 2.06 H new ATOM 0 HE1 TYR A 13 6.146 6.140 -6.442 1.00 2.07 H new ATOM 0 HE2 TYR A 13 8.997 9.088 -7.518 1.00 2.17 H new ATOM 0 HH TYR A 13 6.781 9.424 -7.646 1.00 2.61 H new ATOM 198 N CYS A 14 9.842 2.397 -4.512 1.00 1.18 N ATOM 199 CA CYS A 14 8.814 1.395 -4.100 1.00 0.90 C ATOM 200 C CYS A 14 8.736 1.409 -2.581 1.00 0.68 C ATOM 201 O CYS A 14 7.679 1.583 -2.009 1.00 0.74 O ATOM 202 CB CYS A 14 9.200 -0.019 -4.540 1.00 0.89 C ATOM 203 SG CYS A 14 9.573 -0.300 -6.278 1.00 1.80 S ATOM 0 H CYS A 14 10.647 2.026 -5.017 1.00 1.18 H new ATOM 0 HA CYS A 14 7.863 1.656 -4.565 1.00 0.90 H new ATOM 0 HB2 CYS A 14 10.072 -0.321 -3.960 1.00 0.89 H new ATOM 0 HB3 CYS A 14 8.385 -0.688 -4.263 1.00 0.89 H new ATOM 208 N VAL A 15 9.890 1.286 -1.977 1.00 0.75 N ATOM 209 CA VAL A 15 9.978 1.275 -0.482 1.00 0.69 C ATOM 210 C VAL A 15 9.085 2.366 0.134 1.00 0.65 C ATOM 211 O VAL A 15 8.358 2.098 1.067 1.00 0.70 O ATOM 212 CB VAL A 15 11.443 1.481 -0.065 1.00 0.88 C ATOM 213 CG1 VAL A 15 11.552 1.516 1.466 1.00 0.94 C ATOM 214 CG2 VAL A 15 12.265 0.295 -0.593 1.00 1.03 C ATOM 0 H VAL A 15 10.784 1.192 -2.458 1.00 0.75 H new ATOM 0 HA VAL A 15 9.623 0.313 -0.113 1.00 0.69 H new ATOM 0 HB VAL A 15 11.813 2.422 -0.472 1.00 0.88 H new ATOM 0 HG11 VAL A 15 12.593 1.662 1.753 1.00 0.94 H new ATOM 0 HG12 VAL A 15 10.949 2.337 1.855 1.00 0.94 H new ATOM 0 HG13 VAL A 15 11.191 0.574 1.878 1.00 0.94 H new ATOM 0 HG21 VAL A 15 13.310 0.421 -0.308 1.00 1.03 H new ATOM 0 HG22 VAL A 15 11.882 -0.632 -0.167 1.00 1.03 H new ATOM 0 HG23 VAL A 15 12.188 0.254 -1.679 1.00 1.03 H new ATOM 224 N ARG A 16 9.187 3.574 -0.366 1.00 0.73 N ATOM 225 CA ARG A 16 8.330 4.694 0.179 1.00 0.78 C ATOM 226 C ARG A 16 6.926 4.205 0.579 1.00 0.88 C ATOM 227 O ARG A 16 6.349 4.675 1.547 1.00 1.35 O ATOM 228 CB ARG A 16 8.158 5.801 -0.869 1.00 0.83 C ATOM 229 CG ARG A 16 9.526 6.273 -1.363 1.00 1.78 C ATOM 230 CD ARG A 16 9.393 7.628 -2.072 1.00 3.10 C ATOM 231 NE ARG A 16 8.178 7.636 -2.952 1.00 4.71 N ATOM 232 CZ ARG A 16 7.373 8.660 -2.935 1.00 5.81 C ATOM 233 NH1 ARG A 16 6.570 8.812 -1.919 1.00 5.72 N ATOM 234 NH2 ARG A 16 7.432 9.499 -3.925 1.00 7.42 N ATOM 0 H ARG A 16 9.819 3.839 -1.122 1.00 0.73 H new ATOM 0 HA ARG A 16 8.845 5.073 1.062 1.00 0.78 H new ATOM 0 HB2 ARG A 16 7.568 5.431 -1.707 1.00 0.83 H new ATOM 0 HB3 ARG A 16 7.609 6.639 -0.438 1.00 0.83 H new ATOM 0 HG2 ARG A 16 10.215 6.360 -0.522 1.00 1.78 H new ATOM 0 HG3 ARG A 16 9.948 5.536 -2.046 1.00 1.78 H new ATOM 0 HD2 ARG A 16 9.322 8.427 -1.334 1.00 3.10 H new ATOM 0 HD3 ARG A 16 10.284 7.823 -2.668 1.00 3.10 H new ATOM 0 HE ARG A 16 7.983 6.842 -3.562 1.00 4.71 H new ATOM 0 HH11 ARG A 16 6.580 8.135 -1.156 1.00 5.72 H new ATOM 0 HH12 ARG A 16 5.932 9.607 -1.887 1.00 5.72 H new ATOM 0 HH21 ARG A 16 8.095 9.345 -4.685 1.00 7.42 H new ATOM 0 HH22 ARG A 16 6.815 10.311 -3.942 1.00 7.42 H new ATOM 248 N ALA A 17 6.371 3.316 -0.222 1.00 0.79 N ATOM 249 CA ALA A 17 5.003 2.777 0.077 1.00 0.82 C ATOM 250 C ALA A 17 5.070 1.938 1.339 1.00 0.83 C ATOM 251 O ALA A 17 4.255 2.088 2.222 1.00 0.89 O ATOM 252 CB ALA A 17 4.532 1.908 -1.085 1.00 0.85 C ATOM 0 H ALA A 17 6.807 2.944 -1.066 1.00 0.79 H new ATOM 0 HA ALA A 17 4.304 3.602 0.216 1.00 0.82 H new ATOM 0 HB1 ALA A 17 3.538 1.517 -0.867 1.00 0.85 H new ATOM 0 HB2 ALA A 17 4.495 2.507 -1.995 1.00 0.85 H new ATOM 0 HB3 ALA A 17 5.226 1.079 -1.224 1.00 0.85 H new ATOM 258 N LYS A 18 6.065 1.095 1.394 1.00 0.79 N ATOM 259 CA LYS A 18 6.236 0.232 2.584 1.00 0.84 C ATOM 260 C LYS A 18 6.263 1.135 3.810 1.00 0.77 C ATOM 261 O LYS A 18 5.621 0.851 4.794 1.00 0.84 O ATOM 262 CB LYS A 18 7.552 -0.556 2.435 1.00 0.90 C ATOM 263 CG LYS A 18 8.064 -1.043 3.798 1.00 1.13 C ATOM 264 CD LYS A 18 9.057 -0.016 4.370 1.00 1.36 C ATOM 265 CE LYS A 18 9.447 -0.423 5.791 1.00 1.72 C ATOM 266 NZ LYS A 18 10.032 0.732 6.528 1.00 2.74 N ATOM 0 H LYS A 18 6.765 0.971 0.662 1.00 0.79 H new ATOM 0 HA LYS A 18 5.421 -0.484 2.687 1.00 0.84 H new ATOM 0 HB2 LYS A 18 7.395 -1.410 1.776 1.00 0.90 H new ATOM 0 HB3 LYS A 18 8.306 0.075 1.965 1.00 0.90 H new ATOM 0 HG2 LYS A 18 7.229 -1.179 4.485 1.00 1.13 H new ATOM 0 HG3 LYS A 18 8.549 -2.013 3.691 1.00 1.13 H new ATOM 0 HD2 LYS A 18 9.944 0.039 3.739 1.00 1.36 H new ATOM 0 HD3 LYS A 18 8.608 0.977 4.375 1.00 1.36 H new ATOM 0 HE2 LYS A 18 8.570 -0.793 6.322 1.00 1.72 H new ATOM 0 HE3 LYS A 18 10.167 -1.241 5.756 1.00 1.72 H new ATOM 0 HZ1 LYS A 18 10.877 0.420 7.048 1.00 2.74 H new ATOM 0 HZ2 LYS A 18 10.297 1.477 5.852 1.00 2.74 H new ATOM 0 HZ3 LYS A 18 9.331 1.107 7.199 1.00 2.74 H new ATOM 280 N ASP A 19 6.996 2.206 3.709 1.00 0.66 N ATOM 281 CA ASP A 19 7.074 3.148 4.857 1.00 0.66 C ATOM 282 C ASP A 19 5.680 3.635 5.204 1.00 0.61 C ATOM 283 O ASP A 19 5.254 3.527 6.329 1.00 0.62 O ATOM 284 CB ASP A 19 7.966 4.319 4.477 1.00 0.73 C ATOM 285 CG ASP A 19 9.334 3.769 4.102 1.00 2.02 C ATOM 286 OD1 ASP A 19 9.891 3.071 4.938 1.00 3.14 O ATOM 287 OD2 ASP A 19 9.732 4.049 2.992 1.00 2.95 O ATOM 0 H ASP A 19 7.541 2.469 2.888 1.00 0.66 H new ATOM 0 HA ASP A 19 7.496 2.646 5.727 1.00 0.66 H new ATOM 0 HB2 ASP A 19 7.535 4.870 3.641 1.00 0.73 H new ATOM 0 HB3 ASP A 19 8.052 5.018 5.309 1.00 0.73 H new ATOM 292 N LEU A 20 4.999 4.171 4.232 1.00 0.61 N ATOM 293 CA LEU A 20 3.619 4.649 4.509 1.00 0.59 C ATOM 294 C LEU A 20 2.774 3.516 5.130 1.00 0.58 C ATOM 295 O LEU A 20 2.298 3.658 6.242 1.00 0.65 O ATOM 296 CB LEU A 20 3.004 5.153 3.193 1.00 0.63 C ATOM 297 CG LEU A 20 1.555 5.637 3.391 1.00 0.64 C ATOM 298 CD1 LEU A 20 1.459 6.629 4.564 1.00 0.77 C ATOM 299 CD2 LEU A 20 1.100 6.360 2.118 1.00 0.76 C ATOM 0 H LEU A 20 5.330 4.297 3.276 1.00 0.61 H new ATOM 0 HA LEU A 20 3.640 5.467 5.229 1.00 0.59 H new ATOM 0 HB2 LEU A 20 3.609 5.968 2.797 1.00 0.63 H new ATOM 0 HB3 LEU A 20 3.023 4.353 2.453 1.00 0.63 H new ATOM 0 HG LEU A 20 0.927 4.771 3.603 1.00 0.64 H new ATOM 0 HD11 LEU A 20 0.425 6.955 4.681 1.00 0.77 H new ATOM 0 HD12 LEU A 20 1.792 6.142 5.480 1.00 0.77 H new ATOM 0 HD13 LEU A 20 2.091 7.494 4.362 1.00 0.77 H new ATOM 0 HD21 LEU A 20 0.075 6.708 2.244 1.00 0.76 H new ATOM 0 HD22 LEU A 20 1.753 7.213 1.931 1.00 0.76 H new ATOM 0 HD23 LEU A 20 1.149 5.674 1.273 1.00 0.76 H new ATOM 311 N ALA A 21 2.625 2.410 4.428 1.00 0.53 N ATOM 312 CA ALA A 21 1.805 1.277 4.980 1.00 0.56 C ATOM 313 C ALA A 21 2.295 0.890 6.380 1.00 0.60 C ATOM 314 O ALA A 21 1.497 0.640 7.268 1.00 0.67 O ATOM 315 CB ALA A 21 1.899 0.056 4.056 1.00 0.63 C ATOM 0 H ALA A 21 3.031 2.245 3.507 1.00 0.53 H new ATOM 0 HA ALA A 21 0.768 1.607 5.043 1.00 0.56 H new ATOM 0 HB1 ALA A 21 1.301 -0.758 4.466 1.00 0.63 H new ATOM 0 HB2 ALA A 21 1.524 0.319 3.067 1.00 0.63 H new ATOM 0 HB3 ALA A 21 2.939 -0.262 3.977 1.00 0.63 H new ATOM 321 N GLU A 22 3.588 0.803 6.510 1.00 0.67 N ATOM 322 CA GLU A 22 4.213 0.453 7.817 1.00 0.80 C ATOM 323 C GLU A 22 3.743 1.431 8.889 1.00 0.79 C ATOM 324 O GLU A 22 3.196 1.031 9.893 1.00 0.83 O ATOM 325 CB GLU A 22 5.738 0.543 7.652 1.00 0.96 C ATOM 326 CG GLU A 22 6.464 0.303 8.984 1.00 1.32 C ATOM 327 CD GLU A 22 7.966 0.445 8.753 1.00 1.88 C ATOM 328 OE1 GLU A 22 8.403 1.578 8.701 1.00 2.94 O ATOM 329 OE2 GLU A 22 8.595 -0.577 8.568 1.00 2.40 O ATOM 0 H GLU A 22 4.251 0.963 5.752 1.00 0.67 H new ATOM 0 HA GLU A 22 3.927 -0.554 8.120 1.00 0.80 H new ATOM 0 HB2 GLU A 22 6.070 -0.192 6.918 1.00 0.96 H new ATOM 0 HB3 GLU A 22 6.005 1.525 7.263 1.00 0.96 H new ATOM 0 HG2 GLU A 22 6.127 1.020 9.733 1.00 1.32 H new ATOM 0 HG3 GLU A 22 6.233 -0.691 9.367 1.00 1.32 H new ATOM 336 N LYS A 23 3.974 2.686 8.648 1.00 0.84 N ATOM 337 CA LYS A 23 3.566 3.741 9.627 1.00 0.93 C ATOM 338 C LYS A 23 2.062 3.674 9.920 1.00 0.82 C ATOM 339 O LYS A 23 1.644 3.577 11.067 1.00 0.96 O ATOM 340 CB LYS A 23 3.944 5.084 8.989 1.00 1.11 C ATOM 341 CG LYS A 23 3.742 6.252 9.960 1.00 1.25 C ATOM 342 CD LYS A 23 4.506 7.461 9.391 1.00 2.29 C ATOM 343 CE LYS A 23 4.209 8.733 10.189 1.00 3.42 C ATOM 344 NZ LYS A 23 4.505 8.540 11.634 1.00 4.22 N ATOM 0 H LYS A 23 4.433 3.036 7.807 1.00 0.84 H new ATOM 0 HA LYS A 23 4.069 3.603 10.584 1.00 0.93 H new ATOM 0 HB2 LYS A 23 4.985 5.054 8.668 1.00 1.11 H new ATOM 0 HB3 LYS A 23 3.340 5.245 8.096 1.00 1.11 H new ATOM 0 HG2 LYS A 23 2.682 6.483 10.067 1.00 1.25 H new ATOM 0 HG3 LYS A 23 4.114 5.995 10.952 1.00 1.25 H new ATOM 0 HD2 LYS A 23 5.577 7.259 9.410 1.00 2.29 H new ATOM 0 HD3 LYS A 23 4.229 7.611 8.348 1.00 2.29 H new ATOM 0 HE2 LYS A 23 4.805 9.558 9.799 1.00 3.42 H new ATOM 0 HE3 LYS A 23 3.162 9.009 10.063 1.00 3.42 H new ATOM 0 HZ1 LYS A 23 3.798 9.047 12.204 1.00 4.22 H new ATOM 0 HZ2 LYS A 23 4.472 7.526 11.863 1.00 4.22 H new ATOM 0 HZ3 LYS A 23 5.452 8.912 11.847 1.00 4.22 H new ATOM 358 N LEU A 24 1.276 3.723 8.879 1.00 0.73 N ATOM 359 CA LEU A 24 -0.209 3.682 9.071 1.00 0.76 C ATOM 360 C LEU A 24 -0.626 2.551 10.013 1.00 0.70 C ATOM 361 O LEU A 24 -1.292 2.800 10.991 1.00 0.85 O ATOM 362 CB LEU A 24 -0.896 3.493 7.709 1.00 0.81 C ATOM 363 CG LEU A 24 -0.590 4.695 6.805 1.00 1.17 C ATOM 364 CD1 LEU A 24 -1.055 4.374 5.383 1.00 1.27 C ATOM 365 CD2 LEU A 24 -1.349 5.934 7.295 1.00 1.61 C ATOM 0 H LEU A 24 1.590 3.789 7.911 1.00 0.73 H new ATOM 0 HA LEU A 24 -0.516 4.626 9.521 1.00 0.76 H new ATOM 0 HB2 LEU A 24 -0.547 2.574 7.239 1.00 0.81 H new ATOM 0 HB3 LEU A 24 -1.973 3.392 7.845 1.00 0.81 H new ATOM 0 HG LEU A 24 0.482 4.894 6.827 1.00 1.17 H new ATOM 0 HD11 LEU A 24 -0.843 5.221 4.731 1.00 1.27 H new ATOM 0 HD12 LEU A 24 -0.527 3.493 5.017 1.00 1.27 H new ATOM 0 HD13 LEU A 24 -2.127 4.178 5.386 1.00 1.27 H new ATOM 0 HD21 LEU A 24 -1.123 6.780 6.645 1.00 1.61 H new ATOM 0 HD22 LEU A 24 -2.421 5.736 7.274 1.00 1.61 H new ATOM 0 HD23 LEU A 24 -1.043 6.168 8.315 1.00 1.61 H new ATOM 377 N SER A 25 -0.261 1.339 9.672 1.00 0.59 N ATOM 378 CA SER A 25 -0.616 0.146 10.525 1.00 0.68 C ATOM 379 C SER A 25 -0.616 0.435 12.042 1.00 0.96 C ATOM 380 O SER A 25 -1.291 -0.246 12.787 1.00 1.20 O ATOM 381 CB SER A 25 0.371 -0.975 10.216 1.00 0.74 C ATOM 382 OG SER A 25 0.174 -1.213 8.825 1.00 1.38 O ATOM 0 H SER A 25 0.273 1.117 8.832 1.00 0.59 H new ATOM 0 HA SER A 25 -1.639 -0.136 10.276 1.00 0.68 H new ATOM 0 HB2 SER A 25 1.397 -0.678 10.432 1.00 0.74 H new ATOM 0 HB3 SER A 25 0.166 -1.866 10.809 1.00 0.74 H new ATOM 0 HG SER A 25 0.937 -1.713 8.467 1.00 1.38 H new ATOM 388 N ASN A 26 0.152 1.408 12.465 1.00 1.06 N ATOM 389 CA ASN A 26 0.205 1.762 13.915 1.00 1.41 C ATOM 390 C ASN A 26 -0.599 3.049 14.143 1.00 1.51 C ATOM 391 O ASN A 26 -1.500 3.092 14.957 1.00 2.39 O ATOM 392 CB ASN A 26 1.677 1.980 14.307 1.00 1.57 C ATOM 393 CG ASN A 26 1.761 2.696 15.661 1.00 3.02 C ATOM 394 OD1 ASN A 26 1.313 2.197 16.666 1.00 3.84 O ATOM 395 ND2 ASN A 26 2.322 3.865 15.721 1.00 4.10 N ATOM 0 H ASN A 26 0.748 1.976 11.863 1.00 1.06 H new ATOM 0 HA ASN A 26 -0.221 0.965 14.524 1.00 1.41 H new ATOM 0 HB2 ASN A 26 2.193 1.021 14.361 1.00 1.57 H new ATOM 0 HB3 ASN A 26 2.181 2.571 13.542 1.00 1.57 H new ATOM 0 HD21 ASN A 26 2.383 4.356 16.613 1.00 4.10 H new ATOM 0 HD22 ASN A 26 2.702 4.292 14.876 1.00 4.10 H new ATOM 402 N GLU A 27 -0.301 4.031 13.338 1.00 1.32 N ATOM 403 CA GLU A 27 -0.983 5.357 13.454 1.00 1.55 C ATOM 404 C GLU A 27 -2.284 5.388 12.636 1.00 2.12 C ATOM 405 O GLU A 27 -2.605 6.385 11.992 1.00 3.40 O ATOM 406 CB GLU A 27 -0.010 6.402 12.899 1.00 1.81 C ATOM 407 CG GLU A 27 1.158 6.615 13.877 1.00 2.64 C ATOM 408 CD GLU A 27 2.284 7.338 13.143 1.00 3.29 C ATOM 409 OE1 GLU A 27 2.028 8.451 12.712 1.00 3.66 O ATOM 410 OE2 GLU A 27 3.347 6.743 13.035 1.00 4.07 O ATOM 0 H GLU A 27 0.395 3.973 12.594 1.00 1.32 H new ATOM 0 HA GLU A 27 -1.245 5.554 14.494 1.00 1.55 H new ATOM 0 HB2 GLU A 27 0.372 6.076 11.931 1.00 1.81 H new ATOM 0 HB3 GLU A 27 -0.532 7.344 12.735 1.00 1.81 H new ATOM 0 HG2 GLU A 27 0.830 7.200 14.736 1.00 2.64 H new ATOM 0 HG3 GLU A 27 1.510 5.657 14.260 1.00 2.64 H new ATOM 417 N ARG A 28 -3.022 4.313 12.670 1.00 1.58 N ATOM 418 CA ARG A 28 -4.293 4.284 11.887 1.00 2.13 C ATOM 419 C ARG A 28 -5.375 3.428 12.567 1.00 2.47 C ATOM 420 O ARG A 28 -5.410 3.300 13.775 1.00 2.96 O ATOM 421 CB ARG A 28 -3.966 3.753 10.485 1.00 2.08 C ATOM 422 CG ARG A 28 -4.943 4.312 9.439 1.00 2.38 C ATOM 423 CD ARG A 28 -4.473 5.696 8.970 1.00 2.94 C ATOM 424 NE ARG A 28 -4.870 6.733 9.961 1.00 3.19 N ATOM 425 CZ ARG A 28 -5.836 7.543 9.662 1.00 3.71 C ATOM 426 NH1 ARG A 28 -5.547 8.615 8.967 1.00 5.03 N ATOM 427 NH2 ARG A 28 -7.043 7.227 10.030 1.00 3.70 N ATOM 0 H ARG A 28 -2.807 3.466 13.196 1.00 1.58 H new ATOM 0 HA ARG A 28 -4.705 5.291 11.827 1.00 2.13 H new ATOM 0 HB2 ARG A 28 -2.946 4.028 10.218 1.00 2.08 H new ATOM 0 HB3 ARG A 28 -4.013 2.664 10.485 1.00 2.08 H new ATOM 0 HG2 ARG A 28 -5.007 3.633 8.589 1.00 2.38 H new ATOM 0 HG3 ARG A 28 -5.944 4.384 9.865 1.00 2.38 H new ATOM 0 HD2 ARG A 28 -3.390 5.698 8.844 1.00 2.94 H new ATOM 0 HD3 ARG A 28 -4.908 5.926 7.997 1.00 2.94 H new ATOM 0 HE ARG A 28 -4.391 6.805 10.859 1.00 3.19 H new ATOM 0 HH11 ARG A 28 -4.585 8.791 8.678 1.00 5.03 H new ATOM 0 HH12 ARG A 28 -6.284 9.273 8.715 1.00 5.03 H new ATOM 0 HH21 ARG A 28 -7.210 6.360 10.541 1.00 3.70 H new ATOM 0 HH22 ARG A 28 -7.822 7.846 9.808 1.00 3.70 H new ATOM 441 N ASP A 29 -6.226 2.862 11.751 1.00 2.99 N ATOM 442 CA ASP A 29 -7.355 2.032 12.256 1.00 3.61 C ATOM 443 C ASP A 29 -7.141 0.563 11.879 1.00 2.61 C ATOM 444 O ASP A 29 -6.087 0.021 12.139 1.00 2.71 O ATOM 445 CB ASP A 29 -8.637 2.580 11.619 1.00 5.05 C ATOM 446 CG ASP A 29 -8.790 4.053 11.996 1.00 5.88 C ATOM 447 OD1 ASP A 29 -8.058 4.858 11.412 1.00 6.78 O ATOM 448 OD2 ASP A 29 -9.605 4.289 12.867 1.00 6.16 O ATOM 0 H ASP A 29 -6.183 2.943 10.735 1.00 2.99 H new ATOM 0 HA ASP A 29 -7.422 2.080 13.343 1.00 3.61 H new ATOM 0 HB2 ASP A 29 -8.595 2.471 10.535 1.00 5.05 H new ATOM 0 HB3 ASP A 29 -9.501 2.012 11.963 1.00 5.05 H new ATOM 453 N ASP A 30 -8.123 -0.047 11.254 1.00 2.20 N ATOM 454 CA ASP A 30 -7.978 -1.487 10.850 1.00 1.38 C ATOM 455 C ASP A 30 -7.142 -1.528 9.576 1.00 1.29 C ATOM 456 O ASP A 30 -7.628 -1.853 8.507 1.00 1.96 O ATOM 457 CB ASP A 30 -9.364 -2.116 10.584 1.00 1.64 C ATOM 458 CG ASP A 30 -9.246 -3.458 9.821 1.00 2.75 C ATOM 459 OD1 ASP A 30 -8.286 -4.185 10.077 1.00 3.85 O ATOM 460 OD2 ASP A 30 -10.116 -3.679 8.986 1.00 3.44 O ATOM 0 H ASP A 30 -9.013 0.385 11.007 1.00 2.20 H new ATOM 0 HA ASP A 30 -7.497 -2.053 11.648 1.00 1.38 H new ATOM 0 HB2 ASP A 30 -9.877 -2.280 11.531 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -9.974 -1.421 10.007 1.00 1.64 H new ATOM 465 N PHE A 31 -5.904 -1.164 9.722 1.00 0.90 N ATOM 466 CA PHE A 31 -4.987 -1.159 8.548 1.00 0.70 C ATOM 467 C PHE A 31 -3.895 -2.228 8.681 1.00 0.65 C ATOM 468 O PHE A 31 -3.068 -2.164 9.570 1.00 0.83 O ATOM 469 CB PHE A 31 -4.341 0.233 8.442 1.00 0.67 C ATOM 470 CG PHE A 31 -3.541 0.317 7.136 1.00 0.54 C ATOM 471 CD1 PHE A 31 -2.236 -0.130 7.085 1.00 0.48 C ATOM 472 CD2 PHE A 31 -4.125 0.814 5.986 1.00 0.66 C ATOM 473 CE1 PHE A 31 -1.520 -0.077 5.912 1.00 0.49 C ATOM 474 CE2 PHE A 31 -3.411 0.860 4.804 1.00 0.71 C ATOM 475 CZ PHE A 31 -2.106 0.416 4.767 1.00 0.61 C ATOM 0 H PHE A 31 -5.484 -0.869 10.603 1.00 0.90 H new ATOM 0 HA PHE A 31 -5.562 -1.387 7.650 1.00 0.70 H new ATOM 0 HB2 PHE A 31 -5.109 1.006 8.463 1.00 0.67 H new ATOM 0 HB3 PHE A 31 -3.687 0.410 9.296 1.00 0.67 H new ATOM 0 HD1 PHE A 31 -1.772 -0.526 7.976 1.00 0.48 H new ATOM 0 HD2 PHE A 31 -5.145 1.168 6.012 1.00 0.66 H new ATOM 0 HE1 PHE A 31 -0.497 -0.422 5.889 1.00 0.49 H new ATOM 0 HE2 PHE A 31 -3.876 1.244 3.908 1.00 0.71 H new ATOM 0 HZ PHE A 31 -1.546 0.455 3.844 1.00 0.61 H new ATOM 485 N GLN A 32 -3.944 -3.191 7.798 1.00 0.68 N ATOM 486 CA GLN A 32 -2.930 -4.284 7.778 1.00 0.66 C ATOM 487 C GLN A 32 -2.263 -4.209 6.398 1.00 0.64 C ATOM 488 O GLN A 32 -2.840 -3.646 5.488 1.00 1.17 O ATOM 489 CB GLN A 32 -3.647 -5.637 7.926 1.00 0.81 C ATOM 490 CG GLN A 32 -4.476 -5.666 9.222 1.00 1.10 C ATOM 491 CD GLN A 32 -5.373 -6.906 9.211 1.00 2.08 C ATOM 492 OE1 GLN A 32 -4.934 -7.996 8.908 1.00 2.60 O ATOM 493 NE2 GLN A 32 -6.631 -6.798 9.529 1.00 3.39 N ATOM 0 H GLN A 32 -4.660 -3.266 7.075 1.00 0.68 H new ATOM 0 HA GLN A 32 -2.203 -4.184 8.584 1.00 0.66 H new ATOM 0 HB2 GLN A 32 -4.297 -5.807 7.067 1.00 0.81 H new ATOM 0 HB3 GLN A 32 -2.915 -6.444 7.937 1.00 0.81 H new ATOM 0 HG2 GLN A 32 -3.817 -5.685 10.090 1.00 1.10 H new ATOM 0 HG3 GLN A 32 -5.082 -4.763 9.302 1.00 1.10 H new ATOM 0 HE21 GLN A 32 -7.016 -5.889 9.786 1.00 3.39 H new ATOM 0 HE22 GLN A 32 -7.232 -7.622 9.521 1.00 3.39 H new ATOM 502 N TYR A 33 -1.083 -4.740 6.220 1.00 0.49 N ATOM 503 CA TYR A 33 -0.474 -4.648 4.854 1.00 0.47 C ATOM 504 C TYR A 33 0.639 -5.671 4.628 1.00 0.54 C ATOM 505 O TYR A 33 1.293 -6.108 5.555 1.00 0.68 O ATOM 506 CB TYR A 33 0.102 -3.243 4.630 1.00 0.47 C ATOM 507 CG TYR A 33 1.448 -3.080 5.355 1.00 0.46 C ATOM 508 CD1 TYR A 33 1.497 -2.866 6.718 1.00 0.55 C ATOM 509 CD2 TYR A 33 2.635 -3.140 4.643 1.00 0.67 C ATOM 510 CE1 TYR A 33 2.708 -2.706 7.358 1.00 0.76 C ATOM 511 CE2 TYR A 33 3.843 -2.980 5.287 1.00 0.87 C ATOM 512 CZ TYR A 33 3.891 -2.763 6.645 1.00 0.89 C ATOM 513 OH TYR A 33 5.106 -2.624 7.279 1.00 1.20 O ATOM 0 H TYR A 33 -0.528 -5.218 6.930 1.00 0.49 H new ATOM 0 HA TYR A 33 -1.274 -4.860 4.145 1.00 0.47 H new ATOM 0 HB2 TYR A 33 0.235 -3.066 3.563 1.00 0.47 H new ATOM 0 HB3 TYR A 33 -0.603 -2.495 4.991 1.00 0.47 H new ATOM 0 HD1 TYR A 33 0.580 -2.824 7.287 1.00 0.55 H new ATOM 0 HD2 TYR A 33 2.614 -3.313 3.577 1.00 0.67 H new ATOM 0 HE1 TYR A 33 2.732 -2.535 8.424 1.00 0.76 H new ATOM 0 HE2 TYR A 33 4.761 -3.025 4.720 1.00 0.87 H new ATOM 0 HH TYR A 33 5.828 -2.692 6.620 1.00 1.20 H new ATOM 523 N GLN A 34 0.808 -6.019 3.382 1.00 0.52 N ATOM 524 CA GLN A 34 1.870 -6.973 2.973 1.00 0.60 C ATOM 525 C GLN A 34 2.636 -6.365 1.787 1.00 0.50 C ATOM 526 O GLN A 34 2.135 -5.472 1.120 1.00 0.56 O ATOM 527 CB GLN A 34 1.219 -8.293 2.533 1.00 0.73 C ATOM 528 CG GLN A 34 0.492 -8.103 1.186 1.00 2.00 C ATOM 529 CD GLN A 34 -0.123 -9.427 0.730 1.00 3.02 C ATOM 530 OE1 GLN A 34 -1.120 -9.867 1.255 1.00 4.09 O ATOM 531 NE2 GLN A 34 0.436 -10.102 -0.236 1.00 3.68 N ATOM 0 H GLN A 34 0.237 -5.670 2.612 1.00 0.52 H new ATOM 0 HA GLN A 34 2.550 -7.163 3.804 1.00 0.60 H new ATOM 0 HB2 GLN A 34 1.979 -9.068 2.438 1.00 0.73 H new ATOM 0 HB3 GLN A 34 0.513 -8.630 3.292 1.00 0.73 H new ATOM 0 HG2 GLN A 34 -0.287 -7.347 1.288 1.00 2.00 H new ATOM 0 HG3 GLN A 34 1.192 -7.740 0.434 1.00 2.00 H new ATOM 0 HE21 GLN A 34 1.277 -9.744 -0.688 1.00 3.68 H new ATOM 0 HE22 GLN A 34 0.032 -10.988 -0.539 1.00 3.68 H new ATOM 540 N TYR A 35 3.792 -6.897 1.497 1.00 0.54 N ATOM 541 CA TYR A 35 4.569 -6.361 0.343 1.00 0.55 C ATOM 542 C TYR A 35 4.620 -7.447 -0.729 1.00 0.51 C ATOM 543 O TYR A 35 4.717 -8.616 -0.409 1.00 0.58 O ATOM 544 CB TYR A 35 5.995 -5.996 0.784 1.00 0.69 C ATOM 545 CG TYR A 35 6.722 -5.323 -0.389 1.00 0.73 C ATOM 546 CD1 TYR A 35 7.232 -6.077 -1.428 1.00 0.96 C ATOM 547 CD2 TYR A 35 6.809 -3.947 -0.461 1.00 0.85 C ATOM 548 CE1 TYR A 35 7.808 -5.469 -2.526 1.00 1.09 C ATOM 549 CE2 TYR A 35 7.385 -3.337 -1.561 1.00 0.95 C ATOM 550 CZ TYR A 35 7.887 -4.091 -2.606 1.00 0.99 C ATOM 551 OH TYR A 35 8.436 -3.483 -3.721 1.00 1.18 O ATOM 0 H TYR A 35 4.228 -7.669 2.001 1.00 0.54 H new ATOM 0 HA TYR A 35 4.093 -5.460 -0.045 1.00 0.55 H new ATOM 0 HB2 TYR A 35 5.964 -5.325 1.643 1.00 0.69 H new ATOM 0 HB3 TYR A 35 6.533 -6.891 1.098 1.00 0.69 H new ATOM 0 HD1 TYR A 35 7.180 -7.155 -1.381 1.00 0.96 H new ATOM 0 HD2 TYR A 35 6.425 -3.342 0.347 1.00 0.85 H new ATOM 0 HE1 TYR A 35 8.200 -6.075 -3.329 1.00 1.09 H new ATOM 0 HE2 TYR A 35 7.443 -2.259 -1.604 1.00 0.95 H new ATOM 0 HH TYR A 35 8.982 -2.719 -3.441 1.00 1.18 H new ATOM 561 N VAL A 36 4.551 -7.041 -1.971 1.00 0.50 N ATOM 562 CA VAL A 36 4.591 -8.005 -3.103 1.00 0.50 C ATOM 563 C VAL A 36 5.590 -7.487 -4.144 1.00 0.58 C ATOM 564 O VAL A 36 5.685 -6.296 -4.373 1.00 0.66 O ATOM 565 CB VAL A 36 3.154 -8.110 -3.659 1.00 0.46 C ATOM 566 CG1 VAL A 36 3.152 -8.387 -5.168 1.00 0.49 C ATOM 567 CG2 VAL A 36 2.436 -9.262 -2.944 1.00 0.48 C ATOM 0 H VAL A 36 4.467 -6.063 -2.249 1.00 0.50 H new ATOM 0 HA VAL A 36 4.922 -8.999 -2.802 1.00 0.50 H new ATOM 0 HB VAL A 36 2.647 -7.161 -3.486 1.00 0.46 H new ATOM 0 HG11 VAL A 36 2.124 -8.455 -5.524 1.00 0.49 H new ATOM 0 HG12 VAL A 36 3.664 -7.577 -5.687 1.00 0.49 H new ATOM 0 HG13 VAL A 36 3.667 -9.327 -5.366 1.00 0.49 H new ATOM 0 HG21 VAL A 36 1.419 -9.349 -3.326 1.00 0.48 H new ATOM 0 HG22 VAL A 36 2.973 -10.193 -3.125 1.00 0.48 H new ATOM 0 HG23 VAL A 36 2.406 -9.063 -1.873 1.00 0.48 H new ATOM 577 N ASP A 37 6.299 -8.380 -4.771 1.00 0.63 N ATOM 578 CA ASP A 37 7.317 -7.966 -5.793 1.00 0.76 C ATOM 579 C ASP A 37 6.952 -8.557 -7.158 1.00 0.81 C ATOM 580 O ASP A 37 6.715 -9.747 -7.290 1.00 1.10 O ATOM 581 CB ASP A 37 8.680 -8.473 -5.302 1.00 0.83 C ATOM 582 CG ASP A 37 9.696 -8.568 -6.434 1.00 1.21 C ATOM 583 OD1 ASP A 37 9.920 -7.562 -7.089 1.00 2.16 O ATOM 584 OD2 ASP A 37 10.237 -9.641 -6.551 1.00 2.07 O ATOM 0 H ASP A 37 6.222 -9.386 -4.624 1.00 0.63 H new ATOM 0 HA ASP A 37 7.348 -6.883 -5.913 1.00 0.76 H new ATOM 0 HB2 ASP A 37 9.059 -7.803 -4.530 1.00 0.83 H new ATOM 0 HB3 ASP A 37 8.558 -9.453 -4.842 1.00 0.83 H new ATOM 589 N ILE A 38 6.932 -7.716 -8.157 1.00 0.83 N ATOM 590 CA ILE A 38 6.569 -8.209 -9.514 1.00 0.88 C ATOM 591 C ILE A 38 7.517 -9.318 -9.963 1.00 0.93 C ATOM 592 O ILE A 38 7.130 -10.123 -10.779 1.00 1.12 O ATOM 593 CB ILE A 38 6.564 -7.053 -10.529 1.00 1.01 C ATOM 594 CG1 ILE A 38 7.943 -6.395 -10.558 1.00 1.19 C ATOM 595 CG2 ILE A 38 5.489 -6.026 -10.123 1.00 0.99 C ATOM 596 CD1 ILE A 38 8.019 -5.415 -11.739 1.00 1.33 C ATOM 0 H ILE A 38 7.149 -6.721 -8.093 1.00 0.83 H new ATOM 0 HA ILE A 38 5.563 -8.625 -9.464 1.00 0.88 H new ATOM 0 HB ILE A 38 6.335 -7.433 -11.524 1.00 1.01 H new ATOM 0 HG12 ILE A 38 8.126 -5.868 -9.622 1.00 1.19 H new ATOM 0 HG13 ILE A 38 8.718 -7.155 -10.652 1.00 1.19 H new ATOM 0 HG21 ILE A 38 5.482 -5.205 -10.839 1.00 0.99 H new ATOM 0 HG22 ILE A 38 4.511 -6.508 -10.113 1.00 0.99 H new ATOM 0 HG23 ILE A 38 5.713 -5.639 -9.129 1.00 0.99 H new ATOM 0 HD11 ILE A 38 9.003 -4.946 -11.760 1.00 1.33 H new ATOM 0 HD12 ILE A 38 7.855 -5.955 -12.671 1.00 1.33 H new ATOM 0 HD13 ILE A 38 7.253 -4.648 -11.625 1.00 1.33 H new ATOM 608 N ARG A 39 8.709 -9.361 -9.424 1.00 0.87 N ATOM 609 CA ARG A 39 9.654 -10.442 -9.842 1.00 0.98 C ATOM 610 C ARG A 39 9.359 -11.721 -9.047 1.00 1.01 C ATOM 611 O ARG A 39 9.539 -12.816 -9.542 1.00 1.39 O ATOM 612 CB ARG A 39 11.092 -9.954 -9.589 1.00 1.05 C ATOM 613 CG ARG A 39 12.060 -11.145 -9.449 1.00 2.17 C ATOM 614 CD ARG A 39 13.530 -10.675 -9.425 1.00 2.57 C ATOM 615 NE ARG A 39 13.937 -10.110 -8.087 1.00 3.10 N ATOM 616 CZ ARG A 39 13.059 -9.671 -7.242 1.00 3.62 C ATOM 617 NH1 ARG A 39 12.578 -8.495 -7.426 1.00 4.44 N ATOM 618 NH2 ARG A 39 12.685 -10.429 -6.267 1.00 4.27 N ATOM 0 H ARG A 39 9.065 -8.708 -8.726 1.00 0.87 H new ATOM 0 HA ARG A 39 9.533 -10.669 -10.901 1.00 0.98 H new ATOM 0 HB2 ARG A 39 11.413 -9.314 -10.411 1.00 1.05 H new ATOM 0 HB3 ARG A 39 11.121 -9.348 -8.683 1.00 1.05 H new ATOM 0 HG2 ARG A 39 11.836 -11.692 -8.533 1.00 2.17 H new ATOM 0 HG3 ARG A 39 11.911 -11.837 -10.278 1.00 2.17 H new ATOM 0 HD2 ARG A 39 14.180 -11.514 -9.674 1.00 2.57 H new ATOM 0 HD3 ARG A 39 13.678 -9.918 -10.195 1.00 2.57 H new ATOM 0 HE ARG A 39 14.926 -10.073 -7.842 1.00 3.10 H new ATOM 0 HH11 ARG A 39 12.889 -7.935 -8.220 1.00 4.44 H new ATOM 0 HH12 ARG A 39 11.885 -8.120 -6.778 1.00 4.44 H new ATOM 0 HH21 ARG A 39 13.080 -11.364 -6.167 1.00 4.27 H new ATOM 0 HH22 ARG A 39 11.994 -10.093 -5.596 1.00 4.27 H new ATOM 632 N ALA A 40 8.958 -11.547 -7.823 1.00 0.90 N ATOM 633 CA ALA A 40 8.645 -12.713 -6.952 1.00 1.00 C ATOM 634 C ALA A 40 7.450 -13.483 -7.511 1.00 1.07 C ATOM 635 O ALA A 40 7.469 -14.702 -7.570 1.00 1.19 O ATOM 636 CB ALA A 40 8.315 -12.191 -5.555 1.00 1.07 C ATOM 0 H ALA A 40 8.832 -10.636 -7.382 1.00 0.90 H new ATOM 0 HA ALA A 40 9.501 -13.387 -6.912 1.00 1.00 H new ATOM 0 HB1 ALA A 40 8.082 -13.030 -4.899 1.00 1.07 H new ATOM 0 HB2 ALA A 40 9.172 -11.647 -5.158 1.00 1.07 H new ATOM 0 HB3 ALA A 40 7.455 -11.523 -5.610 1.00 1.07 H new ATOM 642 N GLU A 41 6.439 -12.749 -7.895 1.00 1.06 N ATOM 643 CA GLU A 41 5.230 -13.417 -8.456 1.00 1.22 C ATOM 644 C GLU A 41 5.408 -13.649 -9.969 1.00 1.29 C ATOM 645 O GLU A 41 5.075 -14.702 -10.471 1.00 1.53 O ATOM 646 CB GLU A 41 3.973 -12.550 -8.237 1.00 1.24 C ATOM 647 CG GLU A 41 4.012 -11.777 -6.902 1.00 1.51 C ATOM 648 CD GLU A 41 4.240 -12.711 -5.708 1.00 1.89 C ATOM 649 OE1 GLU A 41 3.501 -13.677 -5.623 1.00 2.71 O ATOM 650 OE2 GLU A 41 5.126 -12.384 -4.939 1.00 2.93 O ATOM 0 H GLU A 41 6.398 -11.731 -7.846 1.00 1.06 H new ATOM 0 HA GLU A 41 5.106 -14.370 -7.942 1.00 1.22 H new ATOM 0 HB2 GLU A 41 3.876 -11.842 -9.060 1.00 1.24 H new ATOM 0 HB3 GLU A 41 3.088 -13.187 -8.259 1.00 1.24 H new ATOM 0 HG2 GLU A 41 4.807 -11.032 -6.937 1.00 1.51 H new ATOM 0 HG3 GLU A 41 3.075 -11.237 -6.767 1.00 1.51 H new ATOM 657 N GLY A 42 5.915 -12.656 -10.668 1.00 1.29 N ATOM 658 CA GLY A 42 6.112 -12.796 -12.154 1.00 1.43 C ATOM 659 C GLY A 42 5.040 -11.975 -12.871 1.00 1.42 C ATOM 660 O GLY A 42 4.340 -12.469 -13.732 1.00 1.56 O ATOM 0 H GLY A 42 6.200 -11.758 -10.277 1.00 1.29 H new ATOM 0 HA2 GLY A 42 7.106 -12.449 -12.438 1.00 1.43 H new ATOM 0 HA3 GLY A 42 6.044 -13.844 -12.447 1.00 1.43 H new ATOM 664 N ILE A 43 4.982 -10.720 -12.519 1.00 1.31 N ATOM 665 CA ILE A 43 3.952 -9.813 -13.102 1.00 1.36 C ATOM 666 C ILE A 43 4.618 -8.711 -13.928 1.00 1.50 C ATOM 667 O ILE A 43 5.784 -8.400 -13.723 1.00 1.51 O ATOM 668 CB ILE A 43 3.178 -9.171 -11.933 1.00 1.24 C ATOM 669 CG1 ILE A 43 2.886 -10.227 -10.847 1.00 1.15 C ATOM 670 CG2 ILE A 43 1.846 -8.613 -12.451 1.00 1.47 C ATOM 671 CD1 ILE A 43 2.579 -9.536 -9.510 1.00 1.29 C ATOM 0 H ILE A 43 5.610 -10.280 -11.846 1.00 1.31 H new ATOM 0 HA ILE A 43 3.285 -10.378 -13.753 1.00 1.36 H new ATOM 0 HB ILE A 43 3.782 -8.370 -11.507 1.00 1.24 H new ATOM 0 HG12 ILE A 43 2.041 -10.846 -11.148 1.00 1.15 H new ATOM 0 HG13 ILE A 43 3.743 -10.891 -10.734 1.00 1.15 H new ATOM 0 HG21 ILE A 43 1.297 -8.159 -11.627 1.00 1.47 H new ATOM 0 HG22 ILE A 43 2.039 -7.861 -13.216 1.00 1.47 H new ATOM 0 HG23 ILE A 43 1.254 -9.422 -12.879 1.00 1.47 H new ATOM 0 HD11 ILE A 43 2.374 -10.290 -8.750 1.00 1.29 H new ATOM 0 HD12 ILE A 43 3.437 -8.936 -9.205 1.00 1.29 H new ATOM 0 HD13 ILE A 43 1.708 -8.891 -9.625 1.00 1.29 H new ATOM 683 N THR A 44 3.862 -8.132 -14.824 1.00 1.71 N ATOM 684 CA THR A 44 4.407 -7.033 -15.673 1.00 1.98 C ATOM 685 C THR A 44 3.619 -5.746 -15.392 1.00 2.12 C ATOM 686 O THR A 44 2.582 -5.786 -14.741 1.00 2.63 O ATOM 687 CB THR A 44 4.267 -7.429 -17.139 1.00 2.27 C ATOM 688 OG1 THR A 44 2.881 -7.702 -17.340 1.00 2.36 O ATOM 689 CG2 THR A 44 4.996 -8.743 -17.427 1.00 2.25 C ATOM 0 H THR A 44 2.888 -8.374 -15.004 1.00 1.71 H new ATOM 0 HA THR A 44 5.459 -6.862 -15.446 1.00 1.98 H new ATOM 0 HB THR A 44 4.670 -6.638 -17.772 1.00 2.27 H new ATOM 0 HG1 THR A 44 2.601 -7.350 -18.211 1.00 2.36 H new ATOM 0 HG21 THR A 44 4.879 -9.001 -18.480 1.00 2.25 H new ATOM 0 HG22 THR A 44 6.055 -8.629 -17.197 1.00 2.25 H new ATOM 0 HG23 THR A 44 4.574 -9.536 -16.810 1.00 2.25 H new ATOM 697 N LYS A 45 4.065 -4.623 -15.912 1.00 2.24 N ATOM 698 CA LYS A 45 3.304 -3.368 -15.624 1.00 2.42 C ATOM 699 C LYS A 45 1.966 -3.431 -16.349 1.00 2.50 C ATOM 700 O LYS A 45 0.958 -3.074 -15.792 1.00 2.75 O ATOM 701 CB LYS A 45 4.092 -2.125 -16.078 1.00 2.96 C ATOM 702 CG LYS A 45 3.553 -0.872 -15.343 1.00 4.01 C ATOM 703 CD LYS A 45 2.309 -0.312 -16.058 1.00 4.93 C ATOM 704 CE LYS A 45 1.598 0.733 -15.181 1.00 6.44 C ATOM 705 NZ LYS A 45 1.075 0.155 -13.896 1.00 7.01 N ATOM 0 H LYS A 45 4.892 -4.524 -16.501 1.00 2.24 H new ATOM 0 HA LYS A 45 3.146 -3.286 -14.549 1.00 2.42 H new ATOM 0 HB2 LYS A 45 5.153 -2.256 -15.864 1.00 2.96 H new ATOM 0 HB3 LYS A 45 3.997 -1.996 -17.156 1.00 2.96 H new ATOM 0 HG2 LYS A 45 3.302 -1.128 -14.314 1.00 4.01 H new ATOM 0 HG3 LYS A 45 4.329 -0.108 -15.301 1.00 4.01 H new ATOM 0 HD2 LYS A 45 2.602 0.141 -17.005 1.00 4.93 H new ATOM 0 HD3 LYS A 45 1.622 -1.125 -16.292 1.00 4.93 H new ATOM 0 HE2 LYS A 45 2.291 1.543 -14.954 1.00 6.44 H new ATOM 0 HE3 LYS A 45 0.771 1.169 -15.741 1.00 6.44 H new ATOM 0 HZ1 LYS A 45 0.046 0.296 -13.846 1.00 7.01 H new ATOM 0 HZ2 LYS A 45 1.288 -0.862 -13.861 1.00 7.01 H new ATOM 0 HZ3 LYS A 45 1.529 0.631 -13.091 1.00 7.01 H new ATOM 719 N GLU A 46 1.988 -3.875 -17.572 1.00 2.57 N ATOM 720 CA GLU A 46 0.714 -3.979 -18.354 1.00 2.75 C ATOM 721 C GLU A 46 -0.283 -4.853 -17.576 1.00 2.33 C ATOM 722 O GLU A 46 -1.424 -4.476 -17.388 1.00 2.29 O ATOM 723 CB GLU A 46 0.956 -4.614 -19.738 1.00 3.17 C ATOM 724 CG GLU A 46 2.357 -4.272 -20.276 1.00 3.29 C ATOM 725 CD GLU A 46 3.389 -5.195 -19.623 1.00 2.90 C ATOM 726 OE1 GLU A 46 3.194 -6.393 -19.738 1.00 2.82 O ATOM 727 OE2 GLU A 46 4.280 -4.652 -18.989 1.00 3.83 O ATOM 0 H GLU A 46 2.828 -4.171 -18.069 1.00 2.57 H new ATOM 0 HA GLU A 46 0.318 -2.974 -18.498 1.00 2.75 H new ATOM 0 HB2 GLU A 46 0.846 -5.696 -19.668 1.00 3.17 H new ATOM 0 HB3 GLU A 46 0.199 -4.261 -20.439 1.00 3.17 H new ATOM 0 HG2 GLU A 46 2.382 -4.389 -21.359 1.00 3.29 H new ATOM 0 HG3 GLU A 46 2.597 -3.230 -20.062 1.00 3.29 H new ATOM 734 N ASP A 47 0.146 -6.022 -17.162 1.00 2.12 N ATOM 735 CA ASP A 47 -0.786 -6.903 -16.387 1.00 1.91 C ATOM 736 C ASP A 47 -1.349 -6.117 -15.204 1.00 1.62 C ATOM 737 O ASP A 47 -2.550 -6.146 -14.945 1.00 1.61 O ATOM 738 CB ASP A 47 -0.051 -8.132 -15.855 1.00 1.83 C ATOM 739 CG ASP A 47 -0.995 -8.879 -14.912 1.00 2.27 C ATOM 740 OD1 ASP A 47 -1.828 -9.614 -15.419 1.00 3.05 O ATOM 741 OD2 ASP A 47 -0.910 -8.596 -13.736 1.00 2.83 O ATOM 0 H ASP A 47 1.080 -6.399 -17.322 1.00 2.12 H new ATOM 0 HA ASP A 47 -1.589 -7.229 -17.049 1.00 1.91 H new ATOM 0 HB2 ASP A 47 0.255 -8.778 -16.678 1.00 1.83 H new ATOM 0 HB3 ASP A 47 0.856 -7.835 -15.329 1.00 1.83 H new ATOM 746 N LEU A 48 -0.465 -5.521 -14.442 1.00 1.45 N ATOM 747 CA LEU A 48 -0.950 -4.709 -13.300 1.00 1.37 C ATOM 748 C LEU A 48 -1.969 -3.713 -13.840 1.00 1.52 C ATOM 749 O LEU A 48 -3.064 -3.634 -13.344 1.00 1.59 O ATOM 750 CB LEU A 48 0.231 -3.981 -12.644 1.00 1.46 C ATOM 751 CG LEU A 48 1.044 -4.982 -11.808 1.00 1.27 C ATOM 752 CD1 LEU A 48 2.349 -4.323 -11.350 1.00 1.52 C ATOM 753 CD2 LEU A 48 0.243 -5.387 -10.558 1.00 1.44 C ATOM 0 H LEU A 48 0.547 -5.563 -14.562 1.00 1.45 H new ATOM 0 HA LEU A 48 -1.415 -5.340 -12.542 1.00 1.37 H new ATOM 0 HB2 LEU A 48 0.864 -3.529 -13.408 1.00 1.46 H new ATOM 0 HB3 LEU A 48 -0.132 -3.171 -12.011 1.00 1.46 H new ATOM 0 HG LEU A 48 1.256 -5.861 -12.417 1.00 1.27 H new ATOM 0 HD11 LEU A 48 2.926 -5.032 -10.757 1.00 1.52 H new ATOM 0 HD12 LEU A 48 2.930 -4.022 -12.222 1.00 1.52 H new ATOM 0 HD13 LEU A 48 2.121 -3.446 -10.745 1.00 1.52 H new ATOM 0 HD21 LEU A 48 0.823 -6.097 -9.968 1.00 1.44 H new ATOM 0 HD22 LEU A 48 0.034 -4.502 -9.957 1.00 1.44 H new ATOM 0 HD23 LEU A 48 -0.696 -5.850 -10.862 1.00 1.44 H new ATOM 765 N GLN A 49 -1.578 -2.999 -14.860 1.00 1.72 N ATOM 766 CA GLN A 49 -2.489 -2.008 -15.489 1.00 1.91 C ATOM 767 C GLN A 49 -3.878 -2.635 -15.702 1.00 1.81 C ATOM 768 O GLN A 49 -4.870 -2.018 -15.355 1.00 1.83 O ATOM 769 CB GLN A 49 -1.854 -1.552 -16.812 1.00 2.29 C ATOM 770 CG GLN A 49 -2.703 -0.461 -17.465 1.00 2.80 C ATOM 771 CD GLN A 49 -3.567 -1.087 -18.557 1.00 3.47 C ATOM 772 OE1 GLN A 49 -3.153 -1.209 -19.692 1.00 3.80 O ATOM 773 NE2 GLN A 49 -4.742 -1.549 -18.251 1.00 4.56 N ATOM 0 H GLN A 49 -0.654 -3.063 -15.288 1.00 1.72 H new ATOM 0 HA GLN A 49 -2.627 -1.139 -14.845 1.00 1.91 H new ATOM 0 HB2 GLN A 49 -0.847 -1.177 -16.629 1.00 2.29 H new ATOM 0 HB3 GLN A 49 -1.759 -2.401 -17.489 1.00 2.29 H new ATOM 0 HG2 GLN A 49 -3.333 0.023 -16.718 1.00 2.80 H new ATOM 0 HG3 GLN A 49 -2.061 0.311 -17.890 1.00 2.80 H new ATOM 0 HE21 GLN A 49 -5.097 -1.450 -17.300 1.00 4.56 H new ATOM 0 HE22 GLN A 49 -5.310 -2.010 -18.962 1.00 4.56 H new ATOM 782 N GLN A 50 -3.914 -3.827 -16.264 1.00 1.84 N ATOM 783 CA GLN A 50 -5.232 -4.514 -16.483 1.00 1.95 C ATOM 784 C GLN A 50 -5.922 -4.712 -15.132 1.00 1.72 C ATOM 785 O GLN A 50 -7.121 -4.578 -15.004 1.00 1.79 O ATOM 786 CB GLN A 50 -5.044 -5.908 -17.105 1.00 2.15 C ATOM 787 CG GLN A 50 -4.075 -5.890 -18.298 1.00 3.35 C ATOM 788 CD GLN A 50 -4.264 -4.635 -19.150 1.00 5.00 C ATOM 789 OE1 GLN A 50 -5.338 -4.335 -19.619 1.00 5.65 O ATOM 790 NE2 GLN A 50 -3.234 -3.877 -19.360 1.00 6.38 N ATOM 0 H GLN A 50 -3.095 -4.348 -16.577 1.00 1.84 H new ATOM 0 HA GLN A 50 -5.822 -3.891 -17.155 1.00 1.95 H new ATOM 0 HB2 GLN A 50 -4.669 -6.594 -16.346 1.00 2.15 H new ATOM 0 HB3 GLN A 50 -6.011 -6.291 -17.431 1.00 2.15 H new ATOM 0 HG2 GLN A 50 -3.048 -5.934 -17.935 1.00 3.35 H new ATOM 0 HG3 GLN A 50 -4.235 -6.776 -18.912 1.00 3.35 H new ATOM 0 HE21 GLN A 50 -2.327 -4.128 -18.966 1.00 6.38 H new ATOM 0 HE22 GLN A 50 -3.330 -3.030 -19.920 1.00 6.38 H new ATOM 799 N LYS A 51 -5.132 -5.072 -14.164 1.00 1.53 N ATOM 800 CA LYS A 51 -5.686 -5.298 -12.796 1.00 1.47 C ATOM 801 C LYS A 51 -5.791 -3.984 -12.006 1.00 1.21 C ATOM 802 O LYS A 51 -6.376 -3.964 -10.945 1.00 1.24 O ATOM 803 CB LYS A 51 -4.759 -6.238 -12.025 1.00 1.62 C ATOM 804 CG LYS A 51 -5.456 -7.596 -11.818 1.00 2.39 C ATOM 805 CD LYS A 51 -4.445 -8.645 -11.319 1.00 2.41 C ATOM 806 CE LYS A 51 -3.191 -8.606 -12.194 1.00 3.38 C ATOM 807 NZ LYS A 51 -3.582 -8.511 -13.632 1.00 4.41 N ATOM 0 H LYS A 51 -4.127 -5.221 -14.256 1.00 1.53 H new ATOM 0 HA LYS A 51 -6.682 -5.727 -12.908 1.00 1.47 H new ATOM 0 HB2 LYS A 51 -3.827 -6.376 -12.573 1.00 1.62 H new ATOM 0 HB3 LYS A 51 -4.500 -5.800 -11.061 1.00 1.62 H new ATOM 0 HG2 LYS A 51 -6.266 -7.490 -11.097 1.00 2.39 H new ATOM 0 HG3 LYS A 51 -5.904 -7.929 -12.754 1.00 2.39 H new ATOM 0 HD2 LYS A 51 -4.182 -8.446 -10.280 1.00 2.41 H new ATOM 0 HD3 LYS A 51 -4.892 -9.639 -11.350 1.00 2.41 H new ATOM 0 HE2 LYS A 51 -2.571 -7.753 -11.919 1.00 3.38 H new ATOM 0 HE3 LYS A 51 -2.593 -9.502 -12.029 1.00 3.38 H new ATOM 0 HZ1 LYS A 51 -3.100 -9.257 -14.173 1.00 4.41 H new ATOM 0 HZ2 LYS A 51 -4.611 -8.629 -13.720 1.00 4.41 H new ATOM 0 HZ3 LYS A 51 -3.307 -7.580 -14.006 1.00 4.41 H new ATOM 821 N ALA A 52 -5.245 -2.926 -12.544 1.00 1.23 N ATOM 822 CA ALA A 52 -5.252 -1.610 -11.830 1.00 1.23 C ATOM 823 C ALA A 52 -6.429 -0.731 -12.238 1.00 1.55 C ATOM 824 O ALA A 52 -7.088 -0.140 -11.393 1.00 1.88 O ATOM 825 CB ALA A 52 -3.940 -0.892 -12.167 1.00 1.24 C ATOM 0 H ALA A 52 -4.789 -2.915 -13.457 1.00 1.23 H new ATOM 0 HA ALA A 52 -5.350 -1.794 -10.760 1.00 1.23 H new ATOM 0 HB1 ALA A 52 -3.913 0.073 -11.661 1.00 1.24 H new ATOM 0 HB2 ALA A 52 -3.098 -1.499 -11.836 1.00 1.24 H new ATOM 0 HB3 ALA A 52 -3.875 -0.739 -13.244 1.00 1.24 H new ATOM 831 N GLY A 53 -6.602 -0.582 -13.523 1.00 1.78 N ATOM 832 CA GLY A 53 -7.733 0.252 -14.025 1.00 2.24 C ATOM 833 C GLY A 53 -7.268 1.658 -14.406 1.00 2.48 C ATOM 834 O GLY A 53 -7.861 2.289 -15.255 1.00 2.72 O ATOM 0 H GLY A 53 -6.013 -0.999 -14.244 1.00 1.78 H new ATOM 0 HA2 GLY A 53 -8.185 -0.230 -14.892 1.00 2.24 H new ATOM 0 HA3 GLY A 53 -8.505 0.318 -13.259 1.00 2.24 H new ATOM 838 N LYS A 54 -6.232 2.132 -13.765 1.00 2.70 N ATOM 839 CA LYS A 54 -5.721 3.510 -14.067 1.00 3.02 C ATOM 840 C LYS A 54 -4.348 3.459 -14.771 1.00 2.97 C ATOM 841 O LYS A 54 -3.334 3.754 -14.168 1.00 3.76 O ATOM 842 CB LYS A 54 -5.625 4.306 -12.743 1.00 3.77 C ATOM 843 CG LYS A 54 -4.812 3.520 -11.695 1.00 3.99 C ATOM 844 CD LYS A 54 -4.931 4.163 -10.302 1.00 5.09 C ATOM 845 CE LYS A 54 -4.295 5.566 -10.266 1.00 5.30 C ATOM 846 NZ LYS A 54 -4.142 6.036 -8.852 1.00 6.39 N ATOM 0 H LYS A 54 -5.715 1.628 -13.045 1.00 2.70 H new ATOM 0 HA LYS A 54 -6.413 4.005 -14.748 1.00 3.02 H new ATOM 0 HB2 LYS A 54 -5.154 5.272 -12.926 1.00 3.77 H new ATOM 0 HB3 LYS A 54 -6.625 4.506 -12.360 1.00 3.77 H new ATOM 0 HG2 LYS A 54 -5.166 2.490 -11.654 1.00 3.99 H new ATOM 0 HG3 LYS A 54 -3.764 3.486 -11.994 1.00 3.99 H new ATOM 0 HD2 LYS A 54 -5.982 4.233 -10.022 1.00 5.09 H new ATOM 0 HD3 LYS A 54 -4.446 3.524 -9.564 1.00 5.09 H new ATOM 0 HE2 LYS A 54 -3.321 5.543 -10.755 1.00 5.30 H new ATOM 0 HE3 LYS A 54 -4.915 6.268 -10.824 1.00 5.30 H new ATOM 0 HZ1 LYS A 54 -4.442 7.029 -8.782 1.00 6.39 H new ATOM 0 HZ2 LYS A 54 -4.732 5.451 -8.226 1.00 6.39 H new ATOM 0 HZ3 LYS A 54 -3.146 5.955 -8.565 1.00 6.39 H new ATOM 860 N PRO A 55 -4.335 3.094 -16.038 1.00 2.78 N ATOM 861 CA PRO A 55 -3.076 3.048 -16.820 1.00 2.88 C ATOM 862 C PRO A 55 -2.289 4.360 -16.702 1.00 2.89 C ATOM 863 O PRO A 55 -2.874 5.425 -16.711 1.00 3.97 O ATOM 864 CB PRO A 55 -3.534 2.818 -18.272 1.00 3.73 C ATOM 865 CG PRO A 55 -5.055 3.077 -18.289 1.00 4.15 C ATOM 866 CD PRO A 55 -5.544 2.827 -16.858 1.00 3.46 C ATOM 0 HA PRO A 55 -2.405 2.268 -16.461 1.00 2.88 H new ATOM 0 HB2 PRO A 55 -3.017 3.492 -18.955 1.00 3.73 H new ATOM 0 HB3 PRO A 55 -3.308 1.802 -18.595 1.00 3.73 H new ATOM 0 HG2 PRO A 55 -5.273 4.098 -18.603 1.00 4.15 H new ATOM 0 HG3 PRO A 55 -5.556 2.413 -18.994 1.00 4.15 H new ATOM 0 HD2 PRO A 55 -6.367 3.491 -16.591 1.00 3.46 H new ATOM 0 HD3 PRO A 55 -5.903 1.806 -16.727 1.00 3.46 H new ATOM 874 N VAL A 56 -0.986 4.230 -16.598 1.00 2.69 N ATOM 875 CA VAL A 56 -0.074 5.420 -16.502 1.00 3.31 C ATOM 876 C VAL A 56 -0.138 6.024 -15.094 1.00 3.95 C ATOM 877 O VAL A 56 -0.477 7.176 -14.902 1.00 5.47 O ATOM 878 CB VAL A 56 -0.437 6.463 -17.571 1.00 4.39 C ATOM 879 CG1 VAL A 56 0.642 7.554 -17.628 1.00 5.60 C ATOM 880 CG2 VAL A 56 -0.540 5.789 -18.949 1.00 4.76 C ATOM 0 H VAL A 56 -0.506 3.331 -16.575 1.00 2.69 H new ATOM 0 HA VAL A 56 0.950 5.095 -16.686 1.00 3.31 H new ATOM 0 HB VAL A 56 -1.396 6.910 -17.309 1.00 4.39 H new ATOM 0 HG11 VAL A 56 0.377 8.289 -18.388 1.00 5.60 H new ATOM 0 HG12 VAL A 56 0.714 8.045 -16.658 1.00 5.60 H new ATOM 0 HG13 VAL A 56 1.602 7.103 -17.879 1.00 5.60 H new ATOM 0 HG21 VAL A 56 -0.798 6.535 -19.701 1.00 4.76 H new ATOM 0 HG22 VAL A 56 0.417 5.333 -19.203 1.00 4.76 H new ATOM 0 HG23 VAL A 56 -1.312 5.020 -18.921 1.00 4.76 H new ATOM 890 N GLU A 57 0.214 5.214 -14.141 1.00 3.55 N ATOM 891 CA GLU A 57 0.215 5.662 -12.718 1.00 4.82 C ATOM 892 C GLU A 57 1.680 5.760 -12.249 1.00 4.66 C ATOM 893 O GLU A 57 2.575 5.550 -13.043 1.00 4.66 O ATOM 894 CB GLU A 57 -0.586 4.641 -11.869 1.00 5.65 C ATOM 895 CG GLU A 57 0.090 3.251 -11.823 1.00 5.44 C ATOM 896 CD GLU A 57 -0.456 2.310 -12.918 1.00 5.09 C ATOM 897 OE1 GLU A 57 -0.273 2.616 -14.085 1.00 4.82 O ATOM 898 OE2 GLU A 57 -0.972 1.274 -12.539 1.00 5.93 O ATOM 0 H GLU A 57 0.505 4.247 -14.285 1.00 3.55 H new ATOM 0 HA GLU A 57 -0.257 6.638 -12.607 1.00 4.82 H new ATOM 0 HB2 GLU A 57 -0.694 5.023 -10.854 1.00 5.65 H new ATOM 0 HB3 GLU A 57 -1.590 4.540 -12.280 1.00 5.65 H new ATOM 0 HG2 GLU A 57 1.167 3.366 -11.947 1.00 5.44 H new ATOM 0 HG3 GLU A 57 -0.071 2.801 -10.844 1.00 5.44 H new ATOM 905 N THR A 58 1.919 6.063 -10.996 1.00 5.01 N ATOM 906 CA THR A 58 3.354 6.148 -10.543 1.00 5.27 C ATOM 907 C THR A 58 3.705 4.849 -9.801 1.00 4.35 C ATOM 908 O THR A 58 2.996 3.869 -9.919 1.00 3.72 O ATOM 909 CB THR A 58 3.584 7.409 -9.655 1.00 6.77 C ATOM 910 OG1 THR A 58 4.987 7.468 -9.386 1.00 7.44 O ATOM 911 CG2 THR A 58 2.973 7.302 -8.263 1.00 7.97 C ATOM 0 H THR A 58 1.213 6.250 -10.284 1.00 5.01 H new ATOM 0 HA THR A 58 4.014 6.255 -11.404 1.00 5.27 H new ATOM 0 HB THR A 58 3.148 8.252 -10.191 1.00 6.77 H new ATOM 0 HG1 THR A 58 5.139 7.951 -8.547 1.00 7.44 H new ATOM 0 HG21 THR A 58 3.175 8.217 -7.706 1.00 7.97 H new ATOM 0 HG22 THR A 58 1.896 7.159 -8.348 1.00 7.97 H new ATOM 0 HG23 THR A 58 3.411 6.453 -7.738 1.00 7.97 H new ATOM 919 N VAL A 59 4.754 4.872 -9.032 1.00 4.46 N ATOM 920 CA VAL A 59 5.173 3.637 -8.298 1.00 3.62 C ATOM 921 C VAL A 59 4.830 3.762 -6.800 1.00 3.61 C ATOM 922 O VAL A 59 4.569 4.834 -6.297 1.00 4.63 O ATOM 923 CB VAL A 59 6.699 3.473 -8.527 1.00 4.18 C ATOM 924 CG1 VAL A 59 7.312 2.349 -7.671 1.00 4.23 C ATOM 925 CG2 VAL A 59 6.931 3.119 -10.000 1.00 4.12 C ATOM 0 H VAL A 59 5.343 5.690 -8.876 1.00 4.46 H new ATOM 0 HA VAL A 59 4.644 2.757 -8.665 1.00 3.62 H new ATOM 0 HB VAL A 59 7.175 4.412 -8.244 1.00 4.18 H new ATOM 0 HG11 VAL A 59 8.381 2.280 -7.873 1.00 4.23 H new ATOM 0 HG12 VAL A 59 7.155 2.569 -6.615 1.00 4.23 H new ATOM 0 HG13 VAL A 59 6.834 1.401 -7.919 1.00 4.23 H new ATOM 0 HG21 VAL A 59 7.999 2.999 -10.182 1.00 4.12 H new ATOM 0 HG22 VAL A 59 6.416 2.188 -10.236 1.00 4.12 H new ATOM 0 HG23 VAL A 59 6.543 3.918 -10.632 1.00 4.12 H new ATOM 935 N PRO A 60 4.817 2.647 -6.112 1.00 2.81 N ATOM 936 CA PRO A 60 4.482 1.320 -6.678 1.00 1.80 C ATOM 937 C PRO A 60 2.966 1.216 -6.860 1.00 1.51 C ATOM 938 O PRO A 60 2.253 2.206 -6.782 1.00 1.88 O ATOM 939 CB PRO A 60 5.002 0.341 -5.620 1.00 1.70 C ATOM 940 CG PRO A 60 4.992 1.132 -4.295 1.00 2.69 C ATOM 941 CD PRO A 60 5.172 2.610 -4.675 1.00 3.19 C ATOM 0 HA PRO A 60 4.919 1.126 -7.658 1.00 1.80 H new ATOM 0 HB2 PRO A 60 4.367 -0.543 -5.556 1.00 1.70 H new ATOM 0 HB3 PRO A 60 6.006 -0.005 -5.864 1.00 1.70 H new ATOM 0 HG2 PRO A 60 4.056 0.980 -3.758 1.00 2.69 H new ATOM 0 HG3 PRO A 60 5.795 0.799 -3.637 1.00 2.69 H new ATOM 0 HD2 PRO A 60 4.523 3.257 -4.085 1.00 3.19 H new ATOM 0 HD3 PRO A 60 6.195 2.945 -4.506 1.00 3.19 H new ATOM 949 N GLN A 61 2.488 0.032 -7.088 1.00 0.97 N ATOM 950 CA GLN A 61 1.020 -0.121 -7.273 1.00 0.78 C ATOM 951 C GLN A 61 0.444 -0.536 -5.922 1.00 0.71 C ATOM 952 O GLN A 61 0.824 -1.567 -5.401 1.00 0.77 O ATOM 953 CB GLN A 61 0.773 -1.196 -8.332 1.00 0.99 C ATOM 954 CG GLN A 61 1.750 -0.958 -9.507 1.00 1.60 C ATOM 955 CD GLN A 61 1.033 -0.959 -10.854 1.00 1.96 C ATOM 956 OE1 GLN A 61 1.638 -1.155 -11.896 1.00 2.93 O ATOM 957 NE2 GLN A 61 -0.238 -0.717 -10.913 1.00 2.60 N ATOM 0 H GLN A 61 3.036 -0.826 -7.154 1.00 0.97 H new ATOM 0 HA GLN A 61 0.546 0.802 -7.608 1.00 0.78 H new ATOM 0 HB2 GLN A 61 0.925 -2.188 -7.908 1.00 0.99 H new ATOM 0 HB3 GLN A 61 -0.258 -1.154 -8.682 1.00 0.99 H new ATOM 0 HG2 GLN A 61 2.259 -0.004 -9.368 1.00 1.60 H new ATOM 0 HG3 GLN A 61 2.517 -1.732 -9.504 1.00 1.60 H new ATOM 0 HE21 GLN A 61 -0.766 -0.550 -10.056 1.00 2.60 H new ATOM 0 HE22 GLN A 61 -0.711 -0.693 -11.816 1.00 2.60 H new ATOM 966 N ILE A 62 -0.431 0.264 -5.372 1.00 0.75 N ATOM 967 CA ILE A 62 -0.987 -0.090 -4.040 1.00 0.77 C ATOM 968 C ILE A 62 -2.396 -0.638 -4.212 1.00 0.76 C ATOM 969 O ILE A 62 -3.188 -0.087 -4.958 1.00 0.80 O ATOM 970 CB ILE A 62 -1.055 1.175 -3.157 1.00 0.79 C ATOM 971 CG1 ILE A 62 0.201 2.060 -3.333 1.00 0.96 C ATOM 972 CG2 ILE A 62 -1.198 0.761 -1.685 1.00 0.97 C ATOM 973 CD1 ILE A 62 1.470 1.317 -2.907 1.00 1.52 C ATOM 0 H ILE A 62 -0.778 1.132 -5.781 1.00 0.75 H new ATOM 0 HA ILE A 62 -0.348 -0.838 -3.571 1.00 0.77 H new ATOM 0 HB ILE A 62 -1.921 1.761 -3.466 1.00 0.79 H new ATOM 0 HG12 ILE A 62 0.289 2.366 -4.375 1.00 0.96 H new ATOM 0 HG13 ILE A 62 0.094 2.969 -2.741 1.00 0.96 H new ATOM 0 HG21 ILE A 62 -1.246 1.652 -1.059 1.00 0.97 H new ATOM 0 HG22 ILE A 62 -2.111 0.179 -1.558 1.00 0.97 H new ATOM 0 HG23 ILE A 62 -0.339 0.158 -1.392 1.00 0.97 H new ATOM 0 HD11 ILE A 62 2.335 1.966 -3.043 1.00 1.52 H new ATOM 0 HD12 ILE A 62 1.391 1.033 -1.858 1.00 1.52 H new ATOM 0 HD13 ILE A 62 1.589 0.421 -3.517 1.00 1.52 H new ATOM 985 N PHE A 63 -2.646 -1.715 -3.545 1.00 0.72 N ATOM 986 CA PHE A 63 -3.984 -2.365 -3.572 1.00 0.77 C ATOM 987 C PHE A 63 -4.482 -2.319 -2.139 1.00 0.72 C ATOM 988 O PHE A 63 -3.873 -2.943 -1.305 1.00 0.76 O ATOM 989 CB PHE A 63 -3.820 -3.828 -4.000 1.00 0.96 C ATOM 990 CG PHE A 63 -4.138 -3.993 -5.485 1.00 1.03 C ATOM 991 CD1 PHE A 63 -5.446 -4.175 -5.885 1.00 1.39 C ATOM 992 CD2 PHE A 63 -3.134 -3.997 -6.436 1.00 1.13 C ATOM 993 CE1 PHE A 63 -5.753 -4.365 -7.213 1.00 1.71 C ATOM 994 CE2 PHE A 63 -3.439 -4.187 -7.768 1.00 1.52 C ATOM 995 CZ PHE A 63 -4.750 -4.370 -8.156 1.00 1.76 C ATOM 0 H PHE A 63 -1.960 -2.193 -2.961 1.00 0.72 H new ATOM 0 HA PHE A 63 -4.669 -1.873 -4.262 1.00 0.77 H new ATOM 0 HB2 PHE A 63 -2.800 -4.158 -3.802 1.00 0.96 H new ATOM 0 HB3 PHE A 63 -4.481 -4.462 -3.409 1.00 0.96 H new ATOM 0 HD1 PHE A 63 -6.236 -4.168 -5.149 1.00 1.39 H new ATOM 0 HD2 PHE A 63 -2.107 -3.851 -6.135 1.00 1.13 H new ATOM 0 HE1 PHE A 63 -6.780 -4.510 -7.515 1.00 1.71 H new ATOM 0 HE2 PHE A 63 -2.651 -4.192 -8.507 1.00 1.52 H new ATOM 0 HZ PHE A 63 -4.989 -4.517 -9.199 1.00 1.76 H new ATOM 1005 N VAL A 64 -5.526 -1.594 -1.851 1.00 0.73 N ATOM 1006 CA VAL A 64 -5.968 -1.569 -0.421 1.00 0.79 C ATOM 1007 C VAL A 64 -7.091 -2.562 -0.176 1.00 1.00 C ATOM 1008 O VAL A 64 -8.192 -2.379 -0.669 1.00 1.31 O ATOM 1009 CB VAL A 64 -6.462 -0.169 -0.030 1.00 0.77 C ATOM 1010 CG1 VAL A 64 -7.126 -0.243 1.356 1.00 0.83 C ATOM 1011 CG2 VAL A 64 -5.267 0.779 0.070 1.00 0.79 C ATOM 0 H VAL A 64 -6.075 -1.039 -2.508 1.00 0.73 H new ATOM 0 HA VAL A 64 -5.105 -1.841 0.187 1.00 0.79 H new ATOM 0 HB VAL A 64 -7.169 0.189 -0.779 1.00 0.77 H new ATOM 0 HG11 VAL A 64 -7.480 0.747 1.643 1.00 0.83 H new ATOM 0 HG12 VAL A 64 -7.969 -0.934 1.319 1.00 0.83 H new ATOM 0 HG13 VAL A 64 -6.400 -0.595 2.089 1.00 0.83 H new ATOM 0 HG21 VAL A 64 -5.614 1.774 0.348 1.00 0.79 H new ATOM 0 HG22 VAL A 64 -4.574 0.412 0.827 1.00 0.79 H new ATOM 0 HG23 VAL A 64 -4.759 0.827 -0.893 1.00 0.79 H new ATOM 1021 N ASP A 65 -6.779 -3.596 0.560 1.00 1.15 N ATOM 1022 CA ASP A 65 -7.804 -4.618 0.916 1.00 1.37 C ATOM 1023 C ASP A 65 -8.407 -5.331 -0.299 1.00 1.37 C ATOM 1024 O ASP A 65 -8.053 -6.462 -0.589 1.00 1.83 O ATOM 1025 CB ASP A 65 -8.903 -3.901 1.709 1.00 1.62 C ATOM 1026 CG ASP A 65 -9.880 -4.929 2.250 1.00 1.66 C ATOM 1027 OD1 ASP A 65 -9.471 -5.609 3.176 1.00 2.39 O ATOM 1028 OD2 ASP A 65 -10.966 -4.979 1.702 1.00 2.51 O ATOM 0 H ASP A 65 -5.847 -3.777 0.933 1.00 1.15 H new ATOM 0 HA ASP A 65 -7.323 -5.401 1.502 1.00 1.37 H new ATOM 0 HB2 ASP A 65 -8.464 -3.332 2.529 1.00 1.62 H new ATOM 0 HB3 ASP A 65 -9.424 -3.188 1.069 1.00 1.62 H new ATOM 1033 N GLN A 66 -9.298 -4.655 -0.975 1.00 1.43 N ATOM 1034 CA GLN A 66 -9.970 -5.259 -2.158 1.00 1.65 C ATOM 1035 C GLN A 66 -9.963 -4.365 -3.409 1.00 1.41 C ATOM 1036 O GLN A 66 -10.151 -4.873 -4.492 1.00 1.59 O ATOM 1037 CB GLN A 66 -11.424 -5.584 -1.773 1.00 2.21 C ATOM 1038 CG GLN A 66 -11.471 -6.890 -0.960 1.00 3.04 C ATOM 1039 CD GLN A 66 -11.375 -8.090 -1.911 1.00 3.63 C ATOM 1040 OE1 GLN A 66 -10.455 -8.215 -2.689 1.00 4.34 O ATOM 1041 NE2 GLN A 66 -12.311 -8.993 -1.895 1.00 4.46 N ATOM 0 H GLN A 66 -9.590 -3.703 -0.755 1.00 1.43 H new ATOM 0 HA GLN A 66 -9.407 -6.153 -2.425 1.00 1.65 H new ATOM 0 HB2 GLN A 66 -11.846 -4.766 -1.189 1.00 2.21 H new ATOM 0 HB3 GLN A 66 -12.034 -5.682 -2.671 1.00 2.21 H new ATOM 0 HG2 GLN A 66 -10.650 -6.914 -0.243 1.00 3.04 H new ATOM 0 HG3 GLN A 66 -12.397 -6.940 -0.386 1.00 3.04 H new ATOM 0 HE21 GLN A 66 -13.094 -8.905 -1.247 1.00 4.46 H new ATOM 0 HE22 GLN A 66 -12.262 -9.789 -2.531 1.00 4.46 H new ATOM 1050 N GLN A 67 -9.738 -3.080 -3.282 1.00 1.21 N ATOM 1051 CA GLN A 67 -9.764 -2.223 -4.503 1.00 1.12 C ATOM 1052 C GLN A 67 -8.356 -1.755 -4.884 1.00 0.97 C ATOM 1053 O GLN A 67 -7.478 -1.672 -4.037 1.00 0.97 O ATOM 1054 CB GLN A 67 -10.667 -1.000 -4.249 1.00 1.30 C ATOM 1055 CG GLN A 67 -10.611 -0.527 -2.782 1.00 2.33 C ATOM 1056 CD GLN A 67 -11.507 -1.404 -1.894 1.00 3.62 C ATOM 1057 OE1 GLN A 67 -12.702 -1.519 -2.103 1.00 4.10 O ATOM 1058 NE2 GLN A 67 -10.966 -2.037 -0.894 1.00 4.83 N ATOM 0 H GLN A 67 -9.542 -2.598 -2.405 1.00 1.21 H new ATOM 0 HA GLN A 67 -10.159 -2.814 -5.330 1.00 1.12 H new ATOM 0 HB2 GLN A 67 -10.362 -0.184 -4.904 1.00 1.30 H new ATOM 0 HB3 GLN A 67 -11.696 -1.250 -4.509 1.00 1.30 H new ATOM 0 HG2 GLN A 67 -9.583 -0.566 -2.421 1.00 2.33 H new ATOM 0 HG3 GLN A 67 -10.932 0.513 -2.717 1.00 2.33 H new ATOM 0 HE21 GLN A 67 -9.966 -1.945 -0.713 1.00 4.83 H new ATOM 0 HE22 GLN A 67 -11.542 -2.625 -0.291 1.00 4.83 H new ATOM 1067 N HIS A 68 -8.177 -1.418 -6.140 1.00 0.99 N ATOM 1068 CA HIS A 68 -6.831 -0.954 -6.573 1.00 0.96 C ATOM 1069 C HIS A 68 -6.711 0.547 -6.355 1.00 0.73 C ATOM 1070 O HIS A 68 -7.635 1.308 -6.602 1.00 0.74 O ATOM 1071 CB HIS A 68 -6.598 -1.227 -8.060 1.00 1.17 C ATOM 1072 CG HIS A 68 -5.260 -0.643 -8.520 1.00 1.33 C ATOM 1073 ND1 HIS A 68 -5.209 0.395 -9.304 1.00 1.42 N ATOM 1074 CD2 HIS A 68 -3.962 -0.960 -8.205 1.00 1.60 C ATOM 1075 CE1 HIS A 68 -3.952 0.725 -9.479 1.00 1.65 C ATOM 1076 NE2 HIS A 68 -3.197 -0.106 -8.809 1.00 1.76 N ATOM 0 H HIS A 68 -8.892 -1.445 -6.867 1.00 0.99 H new ATOM 0 HA HIS A 68 -6.093 -1.498 -5.983 1.00 0.96 H new ATOM 0 HB2 HIS A 68 -6.612 -2.301 -8.243 1.00 1.17 H new ATOM 0 HB3 HIS A 68 -7.409 -0.793 -8.645 1.00 1.17 H new ATOM 0 HD1 HIS A 68 -6.012 0.872 -9.714 1.00 1.42 H new ATOM 0 HD2 HIS A 68 -3.638 -1.772 -7.571 1.00 1.60 H new ATOM 0 HE1 HIS A 68 -3.598 1.550 -10.079 1.00 1.65 H new ATOM 1084 N ILE A 69 -5.560 0.949 -5.933 1.00 0.73 N ATOM 1085 CA ILE A 69 -5.332 2.389 -5.690 1.00 0.78 C ATOM 1086 C ILE A 69 -4.292 2.854 -6.706 1.00 1.17 C ATOM 1087 O ILE A 69 -4.566 3.736 -7.480 1.00 1.51 O ATOM 1088 CB ILE A 69 -4.841 2.568 -4.246 1.00 0.76 C ATOM 1089 CG1 ILE A 69 -5.599 1.620 -3.292 1.00 0.81 C ATOM 1090 CG2 ILE A 69 -5.096 4.003 -3.806 1.00 0.81 C ATOM 1091 CD1 ILE A 69 -7.118 1.879 -3.316 1.00 0.85 C ATOM 0 H ILE A 69 -4.762 0.342 -5.744 1.00 0.73 H new ATOM 0 HA ILE A 69 -6.239 2.982 -5.808 1.00 0.78 H new ATOM 0 HB ILE A 69 -3.776 2.337 -4.210 1.00 0.76 H new ATOM 0 HG12 ILE A 69 -5.402 0.586 -3.575 1.00 0.81 H new ATOM 0 HG13 ILE A 69 -5.224 1.750 -2.277 1.00 0.81 H new ATOM 0 HG21 ILE A 69 -4.749 4.136 -2.781 1.00 0.81 H new ATOM 0 HG22 ILE A 69 -4.558 4.686 -4.463 1.00 0.81 H new ATOM 0 HG23 ILE A 69 -6.164 4.215 -3.858 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -7.615 1.192 -2.632 1.00 0.85 H new ATOM 0 HD12 ILE A 69 -7.317 2.905 -3.008 1.00 0.85 H new ATOM 0 HD13 ILE A 69 -7.498 1.723 -4.326 1.00 0.85 H new ATOM 1103 N GLY A 70 -3.167 2.180 -6.716 1.00 1.38 N ATOM 1104 CA GLY A 70 -2.059 2.514 -7.672 1.00 1.87 C ATOM 1105 C GLY A 70 -1.549 3.947 -7.540 1.00 0.80 C ATOM 1106 O GLY A 70 -2.305 4.894 -7.655 1.00 2.40 O ATOM 0 H GLY A 70 -2.965 1.399 -6.092 1.00 1.38 H new ATOM 0 HA2 GLY A 70 -1.230 1.826 -7.509 1.00 1.87 H new ATOM 0 HA3 GLY A 70 -2.410 2.355 -8.692 1.00 1.87 H new ATOM 1110 N GLY A 71 -0.268 4.087 -7.298 1.00 1.21 N ATOM 1111 CA GLY A 71 0.321 5.452 -7.181 1.00 1.13 C ATOM 1112 C GLY A 71 0.612 5.844 -5.730 1.00 1.04 C ATOM 1113 O GLY A 71 -0.185 5.615 -4.843 1.00 1.54 O ATOM 0 H GLY A 71 0.390 3.317 -7.177 1.00 1.21 H new ATOM 0 HA2 GLY A 71 1.245 5.496 -7.758 1.00 1.13 H new ATOM 0 HA3 GLY A 71 -0.363 6.178 -7.620 1.00 1.13 H new ATOM 1117 N TYR A 72 1.720 6.512 -5.546 1.00 1.07 N ATOM 1118 CA TYR A 72 2.093 6.948 -4.171 1.00 0.95 C ATOM 1119 C TYR A 72 1.368 8.242 -3.843 1.00 0.95 C ATOM 1120 O TYR A 72 0.664 8.303 -2.862 1.00 1.05 O ATOM 1121 CB TYR A 72 3.596 7.192 -4.072 1.00 1.01 C ATOM 1122 CG TYR A 72 3.960 7.274 -2.587 1.00 0.84 C ATOM 1123 CD1 TYR A 72 3.716 8.409 -1.828 1.00 1.52 C ATOM 1124 CD2 TYR A 72 4.506 6.180 -1.974 1.00 1.31 C ATOM 1125 CE1 TYR A 72 4.035 8.431 -0.479 1.00 1.69 C ATOM 1126 CE2 TYR A 72 4.813 6.205 -0.640 1.00 1.54 C ATOM 1127 CZ TYR A 72 4.597 7.324 0.123 1.00 1.40 C ATOM 1128 OH TYR A 72 5.004 7.354 1.444 1.00 1.89 O ATOM 0 H TYR A 72 2.377 6.772 -6.282 1.00 1.07 H new ATOM 0 HA TYR A 72 1.812 6.162 -3.470 1.00 0.95 H new ATOM 0 HB2 TYR A 72 4.147 6.386 -4.556 1.00 1.01 H new ATOM 0 HB3 TYR A 72 3.868 8.115 -4.583 1.00 1.01 H new ATOM 0 HD1 TYR A 72 3.275 9.280 -2.290 1.00 1.52 H new ATOM 0 HD2 TYR A 72 4.697 5.286 -2.549 1.00 1.31 H new ATOM 0 HE1 TYR A 72 3.843 9.320 0.104 1.00 1.69 H new ATOM 0 HE2 TYR A 72 5.234 5.324 -0.178 1.00 1.54 H new ATOM 0 HH TYR A 72 5.474 6.522 1.660 1.00 1.89 H new ATOM 1138 N THR A 73 1.524 9.238 -4.689 1.00 1.08 N ATOM 1139 CA THR A 73 0.824 10.535 -4.426 1.00 1.15 C ATOM 1140 C THR A 73 -0.688 10.325 -4.580 1.00 1.14 C ATOM 1141 O THR A 73 -1.473 11.245 -4.457 1.00 1.80 O ATOM 1142 CB THR A 73 1.317 11.595 -5.424 1.00 1.59 C ATOM 1143 OG1 THR A 73 1.289 10.952 -6.691 1.00 1.80 O ATOM 1144 CG2 THR A 73 2.792 11.951 -5.199 1.00 1.72 C ATOM 0 H THR A 73 2.095 9.209 -5.534 1.00 1.08 H new ATOM 0 HA THR A 73 1.040 10.878 -3.414 1.00 1.15 H new ATOM 0 HB THR A 73 0.705 12.492 -5.330 1.00 1.59 H new ATOM 0 HG1 THR A 73 1.593 11.577 -7.382 1.00 1.80 H new ATOM 0 HG21 THR A 73 3.100 12.703 -5.925 1.00 1.72 H new ATOM 0 HG22 THR A 73 2.921 12.345 -4.191 1.00 1.72 H new ATOM 0 HG23 THR A 73 3.405 11.058 -5.320 1.00 1.72 H new ATOM 1152 N ASP A 74 -1.031 9.097 -4.859 1.00 1.02 N ATOM 1153 CA ASP A 74 -2.444 8.689 -5.025 1.00 0.93 C ATOM 1154 C ASP A 74 -2.871 8.017 -3.716 1.00 0.77 C ATOM 1155 O ASP A 74 -3.704 8.519 -2.986 1.00 0.83 O ATOM 1156 CB ASP A 74 -2.484 7.683 -6.180 1.00 1.21 C ATOM 1157 CG ASP A 74 -3.914 7.448 -6.637 1.00 1.68 C ATOM 1158 OD1 ASP A 74 -4.345 8.241 -7.449 1.00 2.62 O ATOM 1159 OD2 ASP A 74 -4.474 6.459 -6.212 1.00 3.10 O ATOM 0 H ASP A 74 -0.361 8.338 -4.982 1.00 1.02 H new ATOM 0 HA ASP A 74 -3.108 9.526 -5.242 1.00 0.93 H new ATOM 0 HB2 ASP A 74 -1.887 8.054 -7.013 1.00 1.21 H new ATOM 0 HB3 ASP A 74 -2.038 6.740 -5.863 1.00 1.21 H new ATOM 1164 N PHE A 75 -2.230 6.914 -3.419 1.00 0.70 N ATOM 1165 CA PHE A 75 -2.548 6.181 -2.163 1.00 0.63 C ATOM 1166 C PHE A 75 -2.392 7.134 -0.980 1.00 0.60 C ATOM 1167 O PHE A 75 -3.242 7.202 -0.127 1.00 0.62 O ATOM 1168 CB PHE A 75 -1.589 4.988 -2.039 1.00 0.68 C ATOM 1169 CG PHE A 75 -1.775 4.267 -0.694 1.00 0.65 C ATOM 1170 CD1 PHE A 75 -3.014 3.797 -0.294 1.00 0.71 C ATOM 1171 CD2 PHE A 75 -0.681 4.047 0.117 1.00 0.72 C ATOM 1172 CE1 PHE A 75 -3.147 3.113 0.898 1.00 0.71 C ATOM 1173 CE2 PHE A 75 -0.815 3.367 1.306 1.00 0.78 C ATOM 1174 CZ PHE A 75 -2.046 2.897 1.695 1.00 0.72 C ATOM 0 H PHE A 75 -1.501 6.492 -3.994 1.00 0.70 H new ATOM 0 HA PHE A 75 -3.573 5.811 -2.176 1.00 0.63 H new ATOM 0 HB2 PHE A 75 -1.765 4.289 -2.857 1.00 0.68 H new ATOM 0 HB3 PHE A 75 -0.559 5.334 -2.131 1.00 0.68 H new ATOM 0 HD1 PHE A 75 -3.880 3.966 -0.917 1.00 0.71 H new ATOM 0 HD2 PHE A 75 0.290 4.412 -0.184 1.00 0.72 H new ATOM 0 HE1 PHE A 75 -4.116 2.747 1.205 1.00 0.71 H new ATOM 0 HE2 PHE A 75 0.048 3.203 1.934 1.00 0.78 H new ATOM 0 HZ PHE A 75 -2.150 2.358 2.625 1.00 0.72 H new ATOM 1184 N ALA A 76 -1.314 7.873 -0.975 1.00 0.65 N ATOM 1185 CA ALA A 76 -1.066 8.846 0.130 1.00 0.71 C ATOM 1186 C ALA A 76 -2.323 9.667 0.408 1.00 0.72 C ATOM 1187 O ALA A 76 -2.628 9.959 1.541 1.00 0.88 O ATOM 1188 CB ALA A 76 0.093 9.766 -0.272 1.00 0.82 C ATOM 0 H ALA A 76 -0.590 7.844 -1.693 1.00 0.65 H new ATOM 0 HA ALA A 76 -0.807 8.306 1.041 1.00 0.71 H new ATOM 0 HB1 ALA A 76 0.284 10.482 0.528 1.00 0.82 H new ATOM 0 HB2 ALA A 76 0.988 9.169 -0.446 1.00 0.82 H new ATOM 0 HB3 ALA A 76 -0.168 10.302 -1.184 1.00 0.82 H new ATOM 1194 N ALA A 77 -3.027 10.026 -0.629 1.00 0.77 N ATOM 1195 CA ALA A 77 -4.283 10.814 -0.417 1.00 0.89 C ATOM 1196 C ALA A 77 -5.386 9.831 -0.041 1.00 0.86 C ATOM 1197 O ALA A 77 -6.070 10.018 0.946 1.00 0.94 O ATOM 1198 CB ALA A 77 -4.660 11.547 -1.709 1.00 0.97 C ATOM 0 H ALA A 77 -2.797 9.815 -1.600 1.00 0.77 H new ATOM 0 HA ALA A 77 -4.143 11.554 0.371 1.00 0.89 H new ATOM 0 HB1 ALA A 77 -5.574 12.119 -1.549 1.00 0.97 H new ATOM 0 HB2 ALA A 77 -3.854 12.224 -1.992 1.00 0.97 H new ATOM 0 HB3 ALA A 77 -4.821 10.821 -2.506 1.00 0.97 H new ATOM 1204 N TRP A 78 -5.517 8.804 -0.841 1.00 0.82 N ATOM 1205 CA TRP A 78 -6.553 7.758 -0.567 1.00 0.88 C ATOM 1206 C TRP A 78 -6.622 7.519 0.943 1.00 0.81 C ATOM 1207 O TRP A 78 -7.676 7.603 1.547 1.00 0.90 O ATOM 1208 CB TRP A 78 -6.167 6.449 -1.276 1.00 1.00 C ATOM 1209 CG TRP A 78 -7.170 5.304 -1.107 1.00 1.06 C ATOM 1210 CD1 TRP A 78 -8.167 4.967 -1.976 1.00 1.35 C ATOM 1211 CD2 TRP A 78 -7.406 4.514 -0.007 1.00 0.93 C ATOM 1212 NE1 TRP A 78 -8.943 4.066 -1.445 1.00 1.32 N ATOM 1213 CE2 TRP A 78 -8.538 3.752 -0.234 1.00 1.05 C ATOM 1214 CE3 TRP A 78 -6.718 4.444 1.189 1.00 0.93 C ATOM 1215 CZ2 TRP A 78 -9.025 2.928 0.748 1.00 1.02 C ATOM 1216 CZ3 TRP A 78 -7.222 3.608 2.168 1.00 1.06 C ATOM 1217 CH2 TRP A 78 -8.366 2.863 1.954 1.00 1.04 C ATOM 0 H TRP A 78 -4.951 8.643 -1.674 1.00 0.82 H new ATOM 0 HA TRP A 78 -7.522 8.092 -0.937 1.00 0.88 H new ATOM 0 HB2 TRP A 78 -6.045 6.652 -2.340 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -5.197 6.122 -0.901 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -8.294 5.387 -2.963 1.00 1.35 H new ATOM 0 HE1 TRP A 78 -9.756 3.658 -1.907 1.00 1.32 H new ATOM 0 HE3 TRP A 78 -5.820 5.021 1.353 1.00 0.93 H new ATOM 0 HZ2 TRP A 78 -9.913 2.338 0.577 1.00 1.02 H new ATOM 0 HZ3 TRP A 78 -6.712 3.536 3.117 1.00 1.06 H new ATOM 0 HH2 TRP A 78 -8.745 2.225 2.739 1.00 1.04 H new ATOM 1228 N VAL A 79 -5.464 7.242 1.501 1.00 0.71 N ATOM 1229 CA VAL A 79 -5.352 6.991 2.964 1.00 0.72 C ATOM 1230 C VAL A 79 -6.169 8.021 3.749 1.00 0.94 C ATOM 1231 O VAL A 79 -6.925 7.671 4.636 1.00 1.13 O ATOM 1232 CB VAL A 79 -3.858 7.066 3.340 1.00 0.73 C ATOM 1233 CG1 VAL A 79 -3.685 6.992 4.862 1.00 0.89 C ATOM 1234 CG2 VAL A 79 -3.122 5.873 2.713 1.00 0.73 C ATOM 0 H VAL A 79 -4.583 7.180 0.991 1.00 0.71 H new ATOM 0 HA VAL A 79 -5.750 6.007 3.214 1.00 0.72 H new ATOM 0 HB VAL A 79 -3.452 8.009 2.973 1.00 0.73 H new ATOM 0 HG11 VAL A 79 -2.625 7.046 5.111 1.00 0.89 H new ATOM 0 HG12 VAL A 79 -4.210 7.825 5.329 1.00 0.89 H new ATOM 0 HG13 VAL A 79 -4.096 6.052 5.230 1.00 0.89 H new ATOM 0 HG21 VAL A 79 -2.065 5.919 2.975 1.00 0.73 H new ATOM 0 HG22 VAL A 79 -3.549 4.943 3.090 1.00 0.73 H new ATOM 0 HG23 VAL A 79 -3.229 5.908 1.629 1.00 0.73 H new ATOM 1244 N LYS A 80 -6.026 9.263 3.389 1.00 1.13 N ATOM 1245 CA LYS A 80 -6.762 10.336 4.114 1.00 1.50 C ATOM 1246 C LYS A 80 -8.258 10.332 3.768 1.00 1.68 C ATOM 1247 O LYS A 80 -9.103 10.217 4.644 1.00 2.33 O ATOM 1248 CB LYS A 80 -6.125 11.683 3.717 1.00 1.63 C ATOM 1249 CG LYS A 80 -6.248 12.703 4.869 1.00 2.01 C ATOM 1250 CD LYS A 80 -7.148 13.902 4.497 1.00 2.52 C ATOM 1251 CE LYS A 80 -8.583 13.672 4.997 1.00 3.03 C ATOM 1252 NZ LYS A 80 -9.386 12.897 4.019 1.00 3.61 N ATOM 0 H LYS A 80 -5.432 9.583 2.624 1.00 1.13 H new ATOM 0 HA LYS A 80 -6.688 10.169 5.189 1.00 1.50 H new ATOM 0 HB2 LYS A 80 -5.075 11.535 3.466 1.00 1.63 H new ATOM 0 HB3 LYS A 80 -6.614 12.074 2.825 1.00 1.63 H new ATOM 0 HG2 LYS A 80 -6.655 12.206 5.750 1.00 2.01 H new ATOM 0 HG3 LYS A 80 -5.256 13.066 5.138 1.00 2.01 H new ATOM 0 HD2 LYS A 80 -6.746 14.816 4.935 1.00 2.52 H new ATOM 0 HD3 LYS A 80 -7.151 14.041 3.416 1.00 2.52 H new ATOM 0 HE2 LYS A 80 -8.556 13.141 5.948 1.00 3.03 H new ATOM 0 HE3 LYS A 80 -9.063 14.633 5.182 1.00 3.03 H new ATOM 0 HZ1 LYS A 80 -10.274 13.402 3.821 1.00 3.61 H new ATOM 0 HZ2 LYS A 80 -8.847 12.787 3.137 1.00 3.61 H new ATOM 0 HZ3 LYS A 80 -9.601 11.959 4.413 1.00 3.61 H new ATOM 1266 N GLU A 81 -8.569 10.485 2.514 1.00 1.37 N ATOM 1267 CA GLU A 81 -10.011 10.518 2.098 1.00 1.59 C ATOM 1268 C GLU A 81 -10.786 9.257 2.508 1.00 1.57 C ATOM 1269 O GLU A 81 -11.994 9.303 2.640 1.00 1.95 O ATOM 1270 CB GLU A 81 -10.083 10.694 0.573 1.00 1.71 C ATOM 1271 CG GLU A 81 -9.950 12.186 0.199 1.00 2.11 C ATOM 1272 CD GLU A 81 -8.692 12.787 0.822 1.00 2.71 C ATOM 1273 OE1 GLU A 81 -7.639 12.242 0.549 1.00 3.35 O ATOM 1274 OE2 GLU A 81 -8.860 13.739 1.565 1.00 3.74 O ATOM 0 H GLU A 81 -7.895 10.589 1.755 1.00 1.37 H new ATOM 0 HA GLU A 81 -10.481 11.355 2.613 1.00 1.59 H new ATOM 0 HB2 GLU A 81 -9.288 10.120 0.096 1.00 1.71 H new ATOM 0 HB3 GLU A 81 -11.028 10.301 0.199 1.00 1.71 H new ATOM 0 HG2 GLU A 81 -9.912 12.293 -0.885 1.00 2.11 H new ATOM 0 HG3 GLU A 81 -10.829 12.732 0.542 1.00 2.11 H new ATOM 1281 N ASN A 82 -10.092 8.164 2.683 1.00 1.37 N ATOM 1282 CA ASN A 82 -10.798 6.893 3.057 1.00 1.44 C ATOM 1283 C ASN A 82 -10.712 6.537 4.543 1.00 1.35 C ATOM 1284 O ASN A 82 -11.647 5.963 5.071 1.00 1.51 O ATOM 1285 CB ASN A 82 -10.195 5.727 2.264 1.00 1.46 C ATOM 1286 CG ASN A 82 -10.561 5.847 0.786 1.00 1.58 C ATOM 1287 OD1 ASN A 82 -11.439 5.177 0.291 1.00 1.95 O ATOM 1288 ND2 ASN A 82 -9.910 6.697 0.054 1.00 1.69 N ATOM 0 H ASN A 82 -9.079 8.091 2.586 1.00 1.37 H new ATOM 0 HA ASN A 82 -11.849 7.060 2.823 1.00 1.44 H new ATOM 0 HB2 ASN A 82 -9.111 5.722 2.378 1.00 1.46 H new ATOM 0 HB3 ASN A 82 -10.561 4.780 2.661 1.00 1.46 H new ATOM 0 HD21 ASN A 82 -10.139 6.799 -0.935 1.00 1.69 H new ATOM 0 HD22 ASN A 82 -9.169 7.264 0.467 1.00 1.69 H new ATOM 1295 N LEU A 83 -9.622 6.839 5.197 1.00 1.21 N ATOM 1296 CA LEU A 83 -9.530 6.453 6.647 1.00 1.31 C ATOM 1297 C LEU A 83 -9.923 7.611 7.566 1.00 1.59 C ATOM 1298 O LEU A 83 -10.085 7.421 8.763 1.00 1.77 O ATOM 1299 CB LEU A 83 -8.091 5.995 6.935 1.00 1.22 C ATOM 1300 CG LEU A 83 -7.669 4.966 5.864 1.00 0.99 C ATOM 1301 CD1 LEU A 83 -6.255 4.478 6.142 1.00 0.98 C ATOM 1302 CD2 LEU A 83 -8.607 3.757 5.891 1.00 1.04 C ATOM 0 H LEU A 83 -8.811 7.321 4.810 1.00 1.21 H new ATOM 0 HA LEU A 83 -10.230 5.642 6.847 1.00 1.31 H new ATOM 0 HB2 LEU A 83 -7.414 6.849 6.924 1.00 1.22 H new ATOM 0 HB3 LEU A 83 -8.028 5.552 7.929 1.00 1.22 H new ATOM 0 HG LEU A 83 -7.716 5.451 4.889 1.00 0.99 H new ATOM 0 HD11 LEU A 83 -5.965 3.752 5.382 1.00 0.98 H new ATOM 0 HD12 LEU A 83 -5.567 5.323 6.118 1.00 0.98 H new ATOM 0 HD13 LEU A 83 -6.219 4.008 7.125 1.00 0.98 H new ATOM 0 HD21 LEU A 83 -8.298 3.040 5.131 1.00 1.04 H new ATOM 0 HD22 LEU A 83 -8.565 3.286 6.873 1.00 1.04 H new ATOM 0 HD23 LEU A 83 -9.627 4.083 5.688 1.00 1.04 H new ATOM 1314 N ASP A 84 -10.035 8.779 6.982 1.00 1.77 N ATOM 1315 CA ASP A 84 -10.434 9.990 7.769 1.00 2.11 C ATOM 1316 C ASP A 84 -11.695 10.612 7.167 1.00 2.86 C ATOM 1317 O ASP A 84 -12.662 10.864 7.864 1.00 3.74 O ATOM 1318 CB ASP A 84 -9.296 11.029 7.711 1.00 2.33 C ATOM 1319 CG ASP A 84 -7.980 10.404 8.158 1.00 2.58 C ATOM 1320 OD1 ASP A 84 -8.059 9.464 8.907 1.00 3.36 O ATOM 1321 OD2 ASP A 84 -6.942 10.898 7.754 1.00 3.18 O ATOM 0 H ASP A 84 -9.867 8.947 5.990 1.00 1.77 H new ATOM 0 HA ASP A 84 -10.628 9.696 8.801 1.00 2.11 H new ATOM 0 HB2 ASP A 84 -9.197 11.412 6.695 1.00 2.33 H new ATOM 0 HB3 ASP A 84 -9.538 11.878 8.350 1.00 2.33 H new ATOM 1326 N ALA A 85 -11.602 10.806 5.874 1.00 2.90 N ATOM 1327 CA ALA A 85 -12.673 11.426 5.023 1.00 3.99 C ATOM 1328 C ALA A 85 -12.108 12.739 4.474 1.00 4.97 C ATOM 1329 O ALA A 85 -12.139 12.896 3.276 1.00 6.15 O ATOM 1330 CB ALA A 85 -13.962 11.735 5.799 1.00 4.29 C ATOM 0 H ALA A 85 -10.773 10.542 5.341 1.00 2.90 H new ATOM 0 HA ALA A 85 -12.940 10.717 4.240 1.00 3.99 H new ATOM 0 HB1 ALA A 85 -14.694 12.181 5.126 1.00 4.29 H new ATOM 0 HB2 ALA A 85 -14.366 10.812 6.215 1.00 4.29 H new ATOM 0 HB3 ALA A 85 -13.742 12.431 6.608 1.00 4.29 H new TER 1336 ALA A 85