USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 531 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 189 TYR OH : rot -37:sc= 1.19 USER MOD Set 1.2: A 193 GLN : amide:sc= 0.342 K(o=1.5,f=-0.017) USER MOD Set 2.1: A 171 CYS SG : rot -163:sc= 0.503 USER MOD Set 2.2: A 177 CYS SG : rot -38:sc= -0.388 USER MOD Set 2.3: A 187 CYS SG : rot 168:sc= -0.0599 USER MOD Set 2.4: A 190 CYS SG : rot 90:sc= -0.11 USER MOD Set 3.1: A 162 THR OG1 : rot 83:sc= 2.23 USER MOD Set 3.2: A 169 TYR OH : rot 176:sc= 1.23 USER MOD Set 4.1: A 143 SER OG : rot 80:sc= 0.755 USER MOD Set 4.2: A 146 HIS : no HE2:sc= 1.01 K(o=1.8,f=-10!) USER MOD Set 5.1: A 135 CYS SG : rot -148:sc= 0.925 USER MOD Set 5.2: A 138 CYS SG : rot 132:sc= 0.586 USER MOD Set 5.3: A 151 SER OG : rot 39:sc= 1.06 USER MOD Set 5.4: A 152 CYS SG : rot -69:sc= 0.569 USER MOD Set 5.5: A 155 CYS SG : rot 148:sc= 0.355 USER MOD Set 5.6: A 200 MET CE :methyl 177:sc= -0.18 (180deg=-0.0221) USER MOD Single : A 133 HIS : no HD1:sc= -0.599 X(o=-0.6,f=-0.24) USER MOD Single : A 142 SER OG : rot 89:sc= 0.766 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 TYR OH : rot 178:sc= 1.13 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0574) USER MOD Single : A 168 THR OG1 : rot 42:sc= 0.76 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 174 ASN : amide:sc= 0.89 K(o=0.89,f=-0.002) USER MOD Single : A 175 LYS NZ :NH3+ 171:sc= 0.448 (180deg=0.307) USER MOD Single : A 188 GLN : amide:sc= 1.69 K(o=1.7,f=-12!) USER MOD Single : A 192 TYR OH : rot 137:sc= 2.08 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 MET CE :methyl -172:sc= -0.221 (180deg=-0.339) USER MOD Single : A 201 LYS NZ :NH3+ -154:sc= 1.05 (180deg=0.423) USER MOD Single : A 206 GLN : amide:sc= 0.415 K(o=0.41,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -1.915 -4.733 15.054 1.00 0.00 N ATOM 58 CA HIS A 133 -2.852 -3.777 14.479 1.00 0.00 C ATOM 59 C HIS A 133 -3.353 -4.229 13.105 1.00 0.00 C ATOM 60 O HIS A 133 -2.670 -4.961 12.387 1.00 0.00 O ATOM 61 CB HIS A 133 -2.148 -2.423 14.312 1.00 0.00 C ATOM 62 CG HIS A 133 -1.925 -1.638 15.580 1.00 0.00 C ATOM 63 ND1 HIS A 133 -1.076 -1.967 16.613 1.00 0.00 N ATOM 64 CD2 HIS A 133 -2.421 -0.388 15.840 1.00 0.00 C ATOM 65 CE1 HIS A 133 -1.088 -0.948 17.487 1.00 0.00 C ATOM 66 NE2 HIS A 133 -1.882 0.046 17.054 1.00 0.00 N ATOM 0 HA HIS A 133 -3.705 -3.700 15.153 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.181 -2.594 13.838 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -2.735 -1.811 13.627 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -3.108 0.165 15.216 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -0.534 -0.930 18.414 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -2.056 0.938 17.518 1.00 0.00 H new ATOM 74 N ILE A 134 -4.528 -3.743 12.701 1.00 0.00 N ATOM 75 CA ILE A 134 -5.039 -4.031 11.372 1.00 0.00 C ATOM 76 C ILE A 134 -4.308 -3.167 10.346 1.00 0.00 C ATOM 77 O ILE A 134 -3.947 -2.022 10.615 1.00 0.00 O ATOM 78 CB ILE A 134 -6.565 -3.885 11.281 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.083 -2.582 11.914 1.00 0.00 C ATOM 80 CG2 ILE A 134 -7.201 -5.134 11.896 1.00 0.00 C ATOM 81 CD1 ILE A 134 -8.533 -2.288 11.517 1.00 0.00 C ATOM 0 H ILE A 134 -5.134 -3.155 13.273 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.840 -5.079 11.148 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.855 -3.808 10.233 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -7.012 -2.653 12.999 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -6.447 -1.752 11.606 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.287 -5.053 11.843 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.875 -6.017 11.346 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.894 -5.223 12.938 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -8.858 -1.359 11.986 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -8.601 -2.190 10.434 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -9.174 -3.105 11.848 1.00 0.00 H new ATOM 93 N CYS A 135 -4.067 -3.752 9.176 1.00 0.00 N ATOM 94 CA CYS A 135 -3.361 -3.148 8.070 1.00 0.00 C ATOM 95 C CYS A 135 -4.166 -1.961 7.576 1.00 0.00 C ATOM 96 O CYS A 135 -5.311 -2.138 7.174 1.00 0.00 O ATOM 97 CB CYS A 135 -3.177 -4.197 6.960 1.00 0.00 C ATOM 98 SG CYS A 135 -2.275 -3.640 5.489 1.00 0.00 S ATOM 0 H CYS A 135 -4.376 -4.703 8.973 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.375 -2.800 8.378 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.653 -5.055 7.381 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -4.162 -4.546 6.649 1.00 0.00 H new ATOM 0 HG CYS A 135 -2.727 -4.263 4.441 1.00 0.00 H new ATOM 103 N ALA A 136 -3.581 -0.765 7.587 1.00 0.00 N ATOM 104 CA ALA A 136 -4.249 0.440 7.114 1.00 0.00 C ATOM 105 C ALA A 136 -4.926 0.216 5.759 1.00 0.00 C ATOM 106 O ALA A 136 -6.038 0.677 5.518 1.00 0.00 O ATOM 107 CB ALA A 136 -3.210 1.558 7.014 1.00 0.00 C ATOM 0 H ALA A 136 -2.631 -0.607 7.924 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.034 0.714 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.690 2.471 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.771 1.735 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.427 1.266 6.314 1.00 0.00 H new ATOM 113 N ILE A 137 -4.221 -0.480 4.870 1.00 0.00 N ATOM 114 CA ILE A 137 -4.661 -0.739 3.511 1.00 0.00 C ATOM 115 C ILE A 137 -5.709 -1.862 3.448 1.00 0.00 C ATOM 116 O ILE A 137 -6.830 -1.619 3.011 1.00 0.00 O ATOM 117 CB ILE A 137 -3.416 -0.988 2.640 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.505 0.257 2.639 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.798 -1.319 1.192 1.00 0.00 C ATOM 120 CD1 ILE A 137 -1.048 -0.113 2.365 1.00 0.00 C ATOM 0 H ILE A 137 -3.310 -0.886 5.084 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.184 0.129 3.110 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.888 -1.840 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.851 0.961 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.578 0.763 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -2.894 -1.489 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.415 -2.217 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.357 -0.487 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.436 0.789 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.695 -0.797 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -0.972 -0.595 1.391 1.00 0.00 H new ATOM 132 N CYS A 138 -5.335 -3.091 3.825 1.00 0.00 N ATOM 133 CA CYS A 138 -6.182 -4.279 3.690 1.00 0.00 C ATOM 134 C CYS A 138 -7.155 -4.542 4.839 1.00 0.00 C ATOM 135 O CYS A 138 -8.128 -5.273 4.670 1.00 0.00 O ATOM 136 CB CYS A 138 -5.326 -5.546 3.518 1.00 0.00 C ATOM 137 SG CYS A 138 -3.809 -5.454 2.539 1.00 0.00 S ATOM 0 H CYS A 138 -4.423 -3.289 4.238 1.00 0.00 H new ATOM 0 HA CYS A 138 -6.782 -4.056 2.808 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -5.054 -5.897 4.514 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.959 -6.313 3.072 1.00 0.00 H new ATOM 0 HG CYS A 138 -2.833 -6.005 3.198 1.00 0.00 H new ATOM 142 N GLY A 139 -6.863 -4.043 6.038 1.00 0.00 N ATOM 143 CA GLY A 139 -7.654 -4.333 7.222 1.00 0.00 C ATOM 144 C GLY A 139 -7.319 -5.709 7.816 1.00 0.00 C ATOM 145 O GLY A 139 -7.888 -6.082 8.838 1.00 0.00 O ATOM 0 H GLY A 139 -6.070 -3.426 6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.479 -3.562 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.713 -4.296 6.968 1.00 0.00 H new ATOM 149 N ASP A 140 -6.395 -6.464 7.209 1.00 0.00 N ATOM 150 CA ASP A 140 -5.972 -7.771 7.697 1.00 0.00 C ATOM 151 C ASP A 140 -4.919 -7.567 8.789 1.00 0.00 C ATOM 152 O ASP A 140 -4.557 -6.435 9.085 1.00 0.00 O ATOM 153 CB ASP A 140 -5.380 -8.575 6.531 1.00 0.00 C ATOM 154 CG ASP A 140 -6.394 -8.870 5.431 1.00 0.00 C ATOM 155 OD1 ASP A 140 -7.487 -9.365 5.778 1.00 0.00 O ATOM 156 OD2 ASP A 140 -6.043 -8.607 4.261 1.00 0.00 O ATOM 0 H ASP A 140 -5.918 -6.176 6.355 1.00 0.00 H new ATOM 0 HA ASP A 140 -6.820 -8.319 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -4.542 -8.023 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -4.982 -9.516 6.911 1.00 0.00 H new ATOM 161 N ARG A 141 -4.384 -8.633 9.383 1.00 0.00 N ATOM 162 CA ARG A 141 -3.342 -8.505 10.400 1.00 0.00 C ATOM 163 C ARG A 141 -2.107 -7.790 9.826 1.00 0.00 C ATOM 164 O ARG A 141 -1.581 -8.214 8.795 1.00 0.00 O ATOM 165 CB ARG A 141 -2.990 -9.913 10.921 1.00 0.00 C ATOM 166 CG ARG A 141 -1.807 -9.949 11.909 1.00 0.00 C ATOM 167 CD ARG A 141 -0.587 -10.719 11.371 1.00 0.00 C ATOM 168 NE ARG A 141 -0.179 -10.230 10.048 1.00 0.00 N ATOM 169 CZ ARG A 141 0.951 -10.497 9.388 1.00 0.00 C ATOM 170 NH1 ARG A 141 1.872 -11.319 9.900 1.00 0.00 N ATOM 171 NH2 ARG A 141 1.125 -9.922 8.195 1.00 0.00 N ATOM 0 H ARG A 141 -4.655 -9.595 9.177 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.703 -7.897 11.230 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.868 -10.337 11.409 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -2.757 -10.554 10.071 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.508 -8.928 12.145 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -2.135 -10.408 12.841 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.244 -10.618 12.069 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.825 -11.781 11.310 1.00 0.00 H new ATOM 0 HE ARG A 141 -0.838 -9.611 9.576 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.718 -11.754 10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.729 -11.511 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 141 0.408 -9.303 7.818 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.975 -10.102 7.661 1.00 0.00 H new ATOM 185 N SER A 142 -1.607 -6.748 10.500 1.00 0.00 N ATOM 186 CA SER A 142 -0.354 -6.111 10.103 1.00 0.00 C ATOM 187 C SER A 142 0.819 -6.962 10.582 1.00 0.00 C ATOM 188 O SER A 142 0.756 -7.539 11.666 1.00 0.00 O ATOM 189 CB SER A 142 -0.199 -4.739 10.765 1.00 0.00 C ATOM 190 OG SER A 142 -1.246 -3.890 10.370 1.00 0.00 O ATOM 0 H SER A 142 -2.051 -6.332 11.319 1.00 0.00 H new ATOM 0 HA SER A 142 -0.367 -6.007 9.018 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.199 -4.848 11.850 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.759 -4.300 10.489 1.00 0.00 H new ATOM 0 HG SER A 142 -2.002 -3.995 10.985 1.00 0.00 H new ATOM 196 N SER A 143 1.929 -6.951 9.842 1.00 0.00 N ATOM 197 CA SER A 143 3.156 -7.580 10.298 1.00 0.00 C ATOM 198 C SER A 143 3.816 -6.622 11.289 1.00 0.00 C ATOM 199 O SER A 143 4.442 -7.068 12.248 1.00 0.00 O ATOM 200 CB SER A 143 4.066 -7.931 9.115 1.00 0.00 C ATOM 201 OG SER A 143 3.915 -7.011 8.053 1.00 0.00 O ATOM 0 H SER A 143 1.997 -6.511 8.924 1.00 0.00 H new ATOM 0 HA SER A 143 2.950 -8.527 10.796 1.00 0.00 H new ATOM 0 HB2 SER A 143 5.105 -7.940 9.444 1.00 0.00 H new ATOM 0 HB3 SER A 143 3.834 -8.936 8.762 1.00 0.00 H new ATOM 0 HG SER A 143 4.430 -6.200 8.247 1.00 0.00 H new ATOM 207 N GLY A 144 3.661 -5.310 11.082 1.00 0.00 N ATOM 208 CA GLY A 144 4.190 -4.310 11.989 1.00 0.00 C ATOM 209 C GLY A 144 3.907 -2.909 11.462 1.00 0.00 C ATOM 210 O GLY A 144 3.159 -2.736 10.496 1.00 0.00 O ATOM 0 H GLY A 144 3.165 -4.921 10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 144 3.742 -4.431 12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.264 -4.450 12.108 1.00 0.00 H new ATOM 214 N LYS A 145 4.532 -1.914 12.094 1.00 0.00 N ATOM 215 CA LYS A 145 4.446 -0.526 11.678 1.00 0.00 C ATOM 216 C LYS A 145 5.455 -0.368 10.542 1.00 0.00 C ATOM 217 O LYS A 145 6.634 -0.686 10.709 1.00 0.00 O ATOM 218 CB LYS A 145 4.699 0.397 12.876 1.00 0.00 C ATOM 219 CG LYS A 145 4.120 1.798 12.641 1.00 0.00 C ATOM 220 CD LYS A 145 4.179 2.613 13.938 1.00 0.00 C ATOM 221 CE LYS A 145 3.510 3.979 13.755 1.00 0.00 C ATOM 222 NZ LYS A 145 3.461 4.724 15.024 1.00 0.00 N ATOM 0 H LYS A 145 5.117 -2.058 12.917 1.00 0.00 H new ATOM 0 HA LYS A 145 3.457 -0.246 11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 145 4.252 -0.037 13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 145 5.771 0.472 13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 145 4.681 2.306 11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 145 3.089 1.721 12.296 1.00 0.00 H new ATOM 0 HD2 LYS A 145 3.683 2.065 14.740 1.00 0.00 H new ATOM 0 HD3 LYS A 145 5.217 2.749 14.240 1.00 0.00 H new ATOM 0 HE2 LYS A 145 4.058 4.558 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 145 2.499 3.843 13.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 3.003 5.645 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 2.918 4.181 15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 4.428 4.874 15.376 1.00 0.00 H new ATOM 236 N HIS A 146 4.988 0.030 9.361 1.00 0.00 N ATOM 237 CA HIS A 146 5.783 0.123 8.150 1.00 0.00 C ATOM 238 C HIS A 146 5.583 1.513 7.555 1.00 0.00 C ATOM 239 O HIS A 146 4.454 1.936 7.320 1.00 0.00 O ATOM 240 CB HIS A 146 5.344 -0.995 7.197 1.00 0.00 C ATOM 241 CG HIS A 146 5.496 -2.382 7.786 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.334 -2.740 8.822 1.00 0.00 N ATOM 243 CD2 HIS A 146 4.801 -3.504 7.419 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.155 -4.050 9.057 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.237 -4.564 8.224 1.00 0.00 N ATOM 0 H HIS A 146 4.015 0.304 9.221 1.00 0.00 H new ATOM 0 HA HIS A 146 6.847 -0.007 8.346 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.301 -0.838 6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 146 5.930 -0.932 6.280 1.00 0.00 H new ATOM 0 HD1 HIS A 146 6.974 -2.121 9.320 1.00 0.00 H new ATOM 0 HD2 HIS A 146 4.049 -3.561 6.645 1.00 0.00 H new ATOM 0 HE1 HIS A 146 6.679 -4.614 9.814 1.00 0.00 H new ATOM 253 N TYR A 147 6.681 2.246 7.357 1.00 0.00 N ATOM 254 CA TYR A 147 6.659 3.607 6.831 1.00 0.00 C ATOM 255 C TYR A 147 5.714 4.496 7.649 1.00 0.00 C ATOM 256 O TYR A 147 5.039 5.367 7.103 1.00 0.00 O ATOM 257 CB TYR A 147 6.300 3.594 5.337 1.00 0.00 C ATOM 258 CG TYR A 147 6.946 2.483 4.530 1.00 0.00 C ATOM 259 CD1 TYR A 147 8.322 2.211 4.652 1.00 0.00 C ATOM 260 CD2 TYR A 147 6.145 1.660 3.721 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.899 1.150 3.935 1.00 0.00 C ATOM 262 CE2 TYR A 147 6.720 0.588 3.023 1.00 0.00 C ATOM 263 CZ TYR A 147 8.099 0.347 3.109 1.00 0.00 C ATOM 264 OH TYR A 147 8.649 -0.698 2.436 1.00 0.00 O ATOM 0 H TYR A 147 7.620 1.904 7.561 1.00 0.00 H new ATOM 0 HA TYR A 147 7.656 4.039 6.925 1.00 0.00 H new ATOM 0 HB2 TYR A 147 5.218 3.510 5.240 1.00 0.00 H new ATOM 0 HB3 TYR A 147 6.586 4.552 4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.936 2.820 5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 147 5.086 1.853 3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.957 0.953 4.020 1.00 0.00 H new ATOM 0 HE2 TYR A 147 6.098 -0.054 2.417 1.00 0.00 H new ATOM 0 HH TYR A 147 7.950 -1.169 1.936 1.00 0.00 H new ATOM 274 N GLY A 148 5.677 4.260 8.965 1.00 0.00 N ATOM 275 CA GLY A 148 4.857 5.001 9.910 1.00 0.00 C ATOM 276 C GLY A 148 3.401 4.528 9.991 1.00 0.00 C ATOM 277 O GLY A 148 2.641 5.108 10.764 1.00 0.00 O ATOM 0 H GLY A 148 6.233 3.528 9.407 1.00 0.00 H new ATOM 0 HA2 GLY A 148 5.307 4.925 10.900 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.869 6.055 9.634 1.00 0.00 H new ATOM 281 N VAL A 149 2.992 3.507 9.227 1.00 0.00 N ATOM 282 CA VAL A 149 1.612 3.030 9.199 1.00 0.00 C ATOM 283 C VAL A 149 1.562 1.516 9.436 1.00 0.00 C ATOM 284 O VAL A 149 2.346 0.769 8.858 1.00 0.00 O ATOM 285 CB VAL A 149 0.999 3.409 7.839 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.445 2.925 7.717 1.00 0.00 C ATOM 287 CG2 VAL A 149 1.038 4.924 7.592 1.00 0.00 C ATOM 0 H VAL A 149 3.616 2.989 8.609 1.00 0.00 H new ATOM 0 HA VAL A 149 1.034 3.496 9.997 1.00 0.00 H new ATOM 0 HB VAL A 149 1.610 2.912 7.085 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.844 3.211 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.475 1.840 7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.048 3.378 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.595 5.146 6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.474 5.435 8.373 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.072 5.269 7.607 1.00 0.00 H new ATOM 297 N TYR A 150 0.634 1.041 10.273 1.00 0.00 N ATOM 298 CA TYR A 150 0.471 -0.387 10.528 1.00 0.00 C ATOM 299 C TYR A 150 0.084 -1.094 9.230 1.00 0.00 C ATOM 300 O TYR A 150 -0.899 -0.705 8.594 1.00 0.00 O ATOM 301 CB TYR A 150 -0.569 -0.603 11.629 1.00 0.00 C ATOM 302 CG TYR A 150 -0.151 -0.009 12.961 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.895 -0.602 13.694 1.00 0.00 C ATOM 304 CD2 TYR A 150 -0.754 1.171 13.434 1.00 0.00 C ATOM 305 CE1 TYR A 150 1.350 -0.003 14.881 1.00 0.00 C ATOM 306 CE2 TYR A 150 -0.293 1.773 14.617 1.00 0.00 C ATOM 307 CZ TYR A 150 0.748 1.177 15.348 1.00 0.00 C ATOM 308 OH TYR A 150 1.180 1.738 16.512 1.00 0.00 O ATOM 0 H TYR A 150 -0.018 1.633 10.787 1.00 0.00 H new ATOM 0 HA TYR A 150 1.411 -0.815 10.876 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -1.515 -0.159 11.320 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -0.743 -1.672 11.752 1.00 0.00 H new ATOM 0 HD1 TYR A 150 1.348 -1.518 13.344 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -1.573 1.615 12.887 1.00 0.00 H new ATOM 0 HE1 TYR A 150 2.163 -0.450 15.434 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -0.739 2.693 14.964 1.00 0.00 H new ATOM 0 HH TYR A 150 0.662 2.550 16.696 1.00 0.00 H new ATOM 318 N SER A 151 0.868 -2.093 8.802 1.00 0.00 N ATOM 319 CA SER A 151 0.607 -2.796 7.556 1.00 0.00 C ATOM 320 C SER A 151 1.260 -4.176 7.494 1.00 0.00 C ATOM 321 O SER A 151 2.028 -4.569 8.375 1.00 0.00 O ATOM 322 CB SER A 151 0.984 -1.897 6.369 1.00 0.00 C ATOM 323 OG SER A 151 -0.131 -1.098 6.026 1.00 0.00 O ATOM 0 H SER A 151 1.688 -2.427 9.308 1.00 0.00 H new ATOM 0 HA SER A 151 -0.462 -3.004 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.834 -1.266 6.629 1.00 0.00 H new ATOM 0 HB3 SER A 151 1.288 -2.505 5.517 1.00 0.00 H new ATOM 0 HG SER A 151 -0.588 -0.806 6.842 1.00 0.00 H new ATOM 329 N CYS A 152 0.909 -4.921 6.441 1.00 0.00 N ATOM 330 CA CYS A 152 1.390 -6.265 6.174 1.00 0.00 C ATOM 331 C CYS A 152 2.560 -6.222 5.186 1.00 0.00 C ATOM 332 O CYS A 152 2.585 -5.382 4.285 1.00 0.00 O ATOM 333 CB CYS A 152 0.239 -7.148 5.667 1.00 0.00 C ATOM 334 SG CYS A 152 -0.556 -6.671 4.107 1.00 0.00 S ATOM 0 H CYS A 152 0.259 -4.586 5.730 1.00 0.00 H new ATOM 0 HA CYS A 152 1.760 -6.708 7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.618 -8.164 5.555 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.528 -7.178 6.441 1.00 0.00 H new ATOM 0 HG CYS A 152 -1.225 -5.570 4.280 1.00 0.00 H new ATOM 339 N GLU A 153 3.529 -7.121 5.364 1.00 0.00 N ATOM 340 CA GLU A 153 4.721 -7.285 4.538 1.00 0.00 C ATOM 341 C GLU A 153 4.429 -7.120 3.040 1.00 0.00 C ATOM 342 O GLU A 153 5.186 -6.465 2.328 1.00 0.00 O ATOM 343 CB GLU A 153 5.414 -8.619 4.868 1.00 0.00 C ATOM 344 CG GLU A 153 4.654 -9.897 4.468 1.00 0.00 C ATOM 345 CD GLU A 153 3.251 -9.972 5.059 1.00 0.00 C ATOM 346 OE1 GLU A 153 3.153 -10.216 6.282 1.00 0.00 O ATOM 347 OE2 GLU A 153 2.302 -9.718 4.284 1.00 0.00 O ATOM 0 H GLU A 153 3.499 -7.791 6.133 1.00 0.00 H new ATOM 0 HA GLU A 153 5.414 -6.480 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 153 6.387 -8.631 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 153 5.599 -8.652 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 153 4.586 -9.946 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 153 5.225 -10.767 4.792 1.00 0.00 H new ATOM 354 N GLY A 154 3.321 -7.695 2.561 1.00 0.00 N ATOM 355 CA GLY A 154 2.900 -7.563 1.174 1.00 0.00 C ATOM 356 C GLY A 154 2.804 -6.089 0.772 1.00 0.00 C ATOM 357 O GLY A 154 3.379 -5.675 -0.236 1.00 0.00 O ATOM 0 H GLY A 154 2.694 -8.264 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 154 3.609 -8.076 0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 154 1.933 -8.046 1.035 1.00 0.00 H new ATOM 361 N CYS A 155 2.121 -5.278 1.589 1.00 0.00 N ATOM 362 CA CYS A 155 2.003 -3.847 1.371 1.00 0.00 C ATOM 363 C CYS A 155 3.373 -3.195 1.503 1.00 0.00 C ATOM 364 O CYS A 155 3.709 -2.330 0.701 1.00 0.00 O ATOM 365 CB CYS A 155 1.032 -3.213 2.366 1.00 0.00 C ATOM 366 SG CYS A 155 -0.707 -3.562 2.051 1.00 0.00 S ATOM 0 H CYS A 155 1.635 -5.607 2.423 1.00 0.00 H new ATOM 0 HA CYS A 155 1.612 -3.686 0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 155 1.282 -3.561 3.368 1.00 0.00 H new ATOM 0 HB3 CYS A 155 1.179 -2.133 2.358 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.350 -3.614 3.179 1.00 0.00 H new ATOM 371 N LYS A 156 4.152 -3.603 2.510 1.00 0.00 N ATOM 372 CA LYS A 156 5.486 -3.061 2.732 1.00 0.00 C ATOM 373 C LYS A 156 6.306 -3.137 1.439 1.00 0.00 C ATOM 374 O LYS A 156 6.781 -2.117 0.935 1.00 0.00 O ATOM 375 CB LYS A 156 6.180 -3.790 3.891 1.00 0.00 C ATOM 376 CG LYS A 156 7.449 -3.059 4.345 1.00 0.00 C ATOM 377 CD LYS A 156 8.095 -3.812 5.509 1.00 0.00 C ATOM 378 CE LYS A 156 9.275 -3.013 6.073 1.00 0.00 C ATOM 379 NZ LYS A 156 9.911 -3.720 7.197 1.00 0.00 N ATOM 0 H LYS A 156 3.873 -4.313 3.187 1.00 0.00 H new ATOM 0 HA LYS A 156 5.402 -2.011 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.490 -3.877 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 156 6.435 -4.804 3.582 1.00 0.00 H new ATOM 0 HG2 LYS A 156 8.152 -2.982 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 156 7.204 -2.042 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 156 7.357 -3.985 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 156 8.438 -4.790 5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 156 10.010 -2.841 5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 156 8.929 -2.034 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 10.706 -3.155 7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 9.215 -3.862 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 10.262 -4.643 6.872 1.00 0.00 H new ATOM 393 N GLY A 157 6.459 -4.354 0.909 1.00 0.00 N ATOM 394 CA GLY A 157 7.205 -4.622 -0.310 1.00 0.00 C ATOM 395 C GLY A 157 6.584 -3.900 -1.502 1.00 0.00 C ATOM 396 O GLY A 157 7.277 -3.184 -2.223 1.00 0.00 O ATOM 0 H GLY A 157 6.057 -5.193 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 157 8.239 -4.302 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 157 7.224 -5.695 -0.500 1.00 0.00 H new ATOM 400 N PHE A 158 5.276 -4.086 -1.705 1.00 0.00 N ATOM 401 CA PHE A 158 4.527 -3.454 -2.787 1.00 0.00 C ATOM 402 C PHE A 158 4.805 -1.952 -2.839 1.00 0.00 C ATOM 403 O PHE A 158 5.212 -1.426 -3.872 1.00 0.00 O ATOM 404 CB PHE A 158 3.035 -3.728 -2.582 1.00 0.00 C ATOM 405 CG PHE A 158 2.100 -2.815 -3.350 1.00 0.00 C ATOM 406 CD1 PHE A 158 1.954 -2.960 -4.742 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.431 -1.772 -2.680 1.00 0.00 C ATOM 408 CE1 PHE A 158 1.116 -2.084 -5.454 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.620 -0.879 -3.398 1.00 0.00 C ATOM 410 CZ PHE A 158 0.456 -1.042 -4.783 1.00 0.00 C ATOM 0 H PHE A 158 4.704 -4.688 -1.113 1.00 0.00 H new ATOM 0 HA PHE A 158 4.844 -3.875 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.828 -4.759 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.809 -3.642 -1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.485 -3.743 -5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.542 -1.659 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.980 -2.213 -6.518 1.00 0.00 H new ATOM 0 HE2 PHE A 158 0.123 -0.068 -2.886 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.179 -0.364 -5.334 1.00 0.00 H new ATOM 420 N PHE A 159 4.588 -1.262 -1.721 1.00 0.00 N ATOM 421 CA PHE A 159 4.806 0.169 -1.619 1.00 0.00 C ATOM 422 C PHE A 159 6.268 0.488 -1.932 1.00 0.00 C ATOM 423 O PHE A 159 6.535 1.380 -2.731 1.00 0.00 O ATOM 424 CB PHE A 159 4.400 0.652 -0.227 1.00 0.00 C ATOM 425 CG PHE A 159 4.506 2.152 -0.034 1.00 0.00 C ATOM 426 CD1 PHE A 159 3.440 2.985 -0.420 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.648 2.713 0.568 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.486 4.361 -0.140 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.654 4.070 0.928 1.00 0.00 C ATOM 430 CZ PHE A 159 4.580 4.898 0.559 1.00 0.00 C ATOM 0 H PHE A 159 4.253 -1.689 -0.857 1.00 0.00 H new ATOM 0 HA PHE A 159 4.188 0.696 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 159 3.373 0.344 -0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 159 5.027 0.156 0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.586 2.567 -0.932 1.00 0.00 H new ATOM 0 HD2 PHE A 159 6.518 2.101 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.681 5.005 -0.462 1.00 0.00 H new ATOM 0 HE2 PHE A 159 6.483 4.477 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.596 5.948 0.813 1.00 0.00 H new ATOM 440 N LYS A 160 7.213 -0.252 -1.334 1.00 0.00 N ATOM 441 CA LYS A 160 8.634 -0.039 -1.591 1.00 0.00 C ATOM 442 C LYS A 160 8.912 -0.061 -3.096 1.00 0.00 C ATOM 443 O LYS A 160 9.509 0.867 -3.633 1.00 0.00 O ATOM 444 CB LYS A 160 9.491 -1.074 -0.839 1.00 0.00 C ATOM 445 CG LYS A 160 10.839 -0.489 -0.389 1.00 0.00 C ATOM 446 CD LYS A 160 11.582 -1.405 0.589 1.00 0.00 C ATOM 447 CE LYS A 160 12.023 -2.722 -0.056 1.00 0.00 C ATOM 448 NZ LYS A 160 12.800 -3.544 0.890 1.00 0.00 N ATOM 0 H LYS A 160 7.013 -1.001 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 160 8.912 0.945 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.943 -1.434 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.667 -1.936 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 160 11.465 -0.314 -1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.671 0.480 0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 160 12.457 -0.883 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.937 -1.620 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 160 11.147 -3.278 -0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 160 12.625 -2.513 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 13.086 -4.430 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 13.648 -3.021 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 12.215 -3.762 1.722 1.00 0.00 H new ATOM 462 N ARG A 161 8.454 -1.109 -3.783 1.00 0.00 N ATOM 463 CA ARG A 161 8.615 -1.259 -5.221 1.00 0.00 C ATOM 464 C ARG A 161 7.966 -0.082 -5.958 1.00 0.00 C ATOM 465 O ARG A 161 8.599 0.562 -6.796 1.00 0.00 O ATOM 466 CB ARG A 161 7.998 -2.592 -5.654 1.00 0.00 C ATOM 467 CG ARG A 161 8.810 -3.789 -5.139 1.00 0.00 C ATOM 468 CD ARG A 161 7.987 -5.080 -5.210 1.00 0.00 C ATOM 469 NE ARG A 161 7.518 -5.349 -6.575 1.00 0.00 N ATOM 470 CZ ARG A 161 6.693 -6.351 -6.911 1.00 0.00 C ATOM 471 NH1 ARG A 161 6.257 -7.207 -5.981 1.00 0.00 N ATOM 472 NH2 ARG A 161 6.310 -6.490 -8.184 1.00 0.00 N ATOM 0 H ARG A 161 7.955 -1.884 -3.346 1.00 0.00 H new ATOM 0 HA ARG A 161 9.675 -1.260 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 161 6.976 -2.658 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 161 7.943 -2.631 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.718 -3.899 -5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 161 9.121 -3.607 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 161 8.592 -5.917 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 161 7.131 -5.004 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 161 7.842 -4.731 -7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 161 6.552 -7.099 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 161 5.629 -7.968 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 161 6.645 -5.836 -8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 161 5.683 -7.250 -8.448 1.00 0.00 H new ATOM 486 N THR A 162 6.698 0.194 -5.641 1.00 0.00 N ATOM 487 CA THR A 162 5.926 1.266 -6.250 1.00 0.00 C ATOM 488 C THR A 162 6.672 2.598 -6.173 1.00 0.00 C ATOM 489 O THR A 162 6.795 3.287 -7.182 1.00 0.00 O ATOM 490 CB THR A 162 4.548 1.364 -5.580 1.00 0.00 C ATOM 491 OG1 THR A 162 3.868 0.130 -5.686 1.00 0.00 O ATOM 492 CG2 THR A 162 3.687 2.437 -6.246 1.00 0.00 C ATOM 0 H THR A 162 6.176 -0.334 -4.942 1.00 0.00 H new ATOM 0 HA THR A 162 5.785 1.035 -7.306 1.00 0.00 H new ATOM 0 HB THR A 162 4.710 1.624 -4.534 1.00 0.00 H new ATOM 0 HG1 THR A 162 4.171 -0.473 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.717 2.484 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 162 4.183 3.404 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.546 2.189 -7.298 1.00 0.00 H new ATOM 500 N VAL A 163 7.151 2.964 -4.982 1.00 0.00 N ATOM 501 CA VAL A 163 7.872 4.207 -4.755 1.00 0.00 C ATOM 502 C VAL A 163 9.223 4.158 -5.468 1.00 0.00 C ATOM 503 O VAL A 163 9.566 5.103 -6.172 1.00 0.00 O ATOM 504 CB VAL A 163 8.012 4.458 -3.249 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.905 5.670 -2.946 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.637 4.698 -2.610 1.00 0.00 C ATOM 0 H VAL A 163 7.045 2.395 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 163 7.315 5.046 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 163 8.475 3.565 -2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.975 5.810 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.901 5.500 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.474 6.562 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.758 4.874 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 163 6.169 5.568 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 163 6.006 3.822 -2.764 1.00 0.00 H new ATOM 516 N ARG A 164 9.981 3.064 -5.316 1.00 0.00 N ATOM 517 CA ARG A 164 11.272 2.884 -5.985 1.00 0.00 C ATOM 518 C ARG A 164 11.162 3.194 -7.478 1.00 0.00 C ATOM 519 O ARG A 164 11.970 3.940 -8.028 1.00 0.00 O ATOM 520 CB ARG A 164 11.797 1.449 -5.793 1.00 0.00 C ATOM 521 CG ARG A 164 12.472 1.217 -4.435 1.00 0.00 C ATOM 522 CD ARG A 164 13.990 1.425 -4.507 1.00 0.00 C ATOM 523 NE ARG A 164 14.328 2.743 -5.056 1.00 0.00 N ATOM 524 CZ ARG A 164 14.446 3.879 -4.355 1.00 0.00 C ATOM 525 NH1 ARG A 164 14.410 3.887 -3.020 1.00 0.00 N ATOM 526 NH2 ARG A 164 14.591 5.039 -5.001 1.00 0.00 N ATOM 0 H ARG A 164 9.714 2.278 -4.724 1.00 0.00 H new ATOM 0 HA ARG A 164 11.976 3.581 -5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.967 0.750 -5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.509 1.223 -6.586 1.00 0.00 H new ATOM 0 HG2 ARG A 164 12.047 1.898 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 164 12.260 0.204 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 164 14.420 1.324 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 164 14.436 0.647 -5.126 1.00 0.00 H new ATOM 0 HE ARG A 164 14.488 2.800 -6.062 1.00 0.00 H new ATOM 0 HH11 ARG A 164 14.290 3.013 -2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 164 14.502 4.767 -2.513 1.00 0.00 H new ATOM 0 HH21 ARG A 164 14.611 5.056 -6.021 1.00 0.00 H new ATOM 0 HH22 ARG A 164 14.681 5.908 -4.475 1.00 0.00 H new ATOM 540 N LYS A 165 10.154 2.610 -8.125 1.00 0.00 N ATOM 541 CA LYS A 165 9.876 2.804 -9.544 1.00 0.00 C ATOM 542 C LYS A 165 9.022 4.057 -9.804 1.00 0.00 C ATOM 543 O LYS A 165 8.760 4.383 -10.959 1.00 0.00 O ATOM 544 CB LYS A 165 9.156 1.551 -10.058 1.00 0.00 C ATOM 545 CG LYS A 165 10.102 0.371 -10.300 1.00 0.00 C ATOM 546 CD LYS A 165 10.670 0.456 -11.725 1.00 0.00 C ATOM 547 CE LYS A 165 11.586 -0.730 -12.047 1.00 0.00 C ATOM 548 NZ LYS A 165 12.786 -0.746 -11.191 1.00 0.00 N ATOM 0 H LYS A 165 9.497 1.978 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 165 10.817 2.957 -10.073 1.00 0.00 H new ATOM 0 HB2 LYS A 165 8.394 1.256 -9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 165 8.640 1.791 -10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 165 10.913 0.386 -9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 165 9.569 -0.570 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 165 9.849 0.486 -12.442 1.00 0.00 H new ATOM 0 HD3 LYS A 165 11.227 1.386 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 165 11.034 -1.661 -11.916 1.00 0.00 H new ATOM 0 HE3 LYS A 165 11.887 -0.682 -13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 13.435 -1.490 -11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 13.263 0.177 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 12.508 -0.936 -10.207 1.00 0.00 H new ATOM 562 N ASP A 166 8.566 4.733 -8.745 1.00 0.00 N ATOM 563 CA ASP A 166 7.675 5.887 -8.759 1.00 0.00 C ATOM 564 C ASP A 166 6.514 5.672 -9.730 1.00 0.00 C ATOM 565 O ASP A 166 6.249 6.491 -10.606 1.00 0.00 O ATOM 566 CB ASP A 166 8.452 7.182 -9.014 1.00 0.00 C ATOM 567 CG ASP A 166 7.572 8.419 -8.840 1.00 0.00 C ATOM 568 OD1 ASP A 166 6.645 8.352 -8.001 1.00 0.00 O ATOM 569 OD2 ASP A 166 7.859 9.422 -9.529 1.00 0.00 O ATOM 0 H ASP A 166 8.829 4.468 -7.796 1.00 0.00 H new ATOM 0 HA ASP A 166 7.227 5.995 -7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 166 9.298 7.239 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 166 8.861 7.167 -10.024 1.00 0.00 H new ATOM 574 N LEU A 167 5.827 4.541 -9.568 1.00 0.00 N ATOM 575 CA LEU A 167 4.731 4.173 -10.451 1.00 0.00 C ATOM 576 C LEU A 167 3.456 4.944 -10.122 1.00 0.00 C ATOM 577 O LEU A 167 3.247 5.401 -8.996 1.00 0.00 O ATOM 578 CB LEU A 167 4.473 2.659 -10.420 1.00 0.00 C ATOM 579 CG LEU A 167 5.701 1.826 -10.810 1.00 0.00 C ATOM 580 CD1 LEU A 167 5.379 0.335 -10.675 1.00 0.00 C ATOM 581 CD2 LEU A 167 6.170 2.118 -12.242 1.00 0.00 C ATOM 0 H LEU A 167 6.015 3.864 -8.829 1.00 0.00 H new ATOM 0 HA LEU A 167 5.031 4.446 -11.463 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.152 2.373 -9.419 1.00 0.00 H new ATOM 0 HB3 LEU A 167 3.653 2.423 -11.098 1.00 0.00 H new ATOM 0 HG LEU A 167 6.509 2.102 -10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.254 -0.253 -10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.106 0.114 -9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 167 4.548 0.081 -11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.041 1.505 -12.472 1.00 0.00 H new ATOM 0 HD22 LEU A 167 5.368 1.885 -12.942 1.00 0.00 H new ATOM 0 HD23 LEU A 167 6.435 3.172 -12.330 1.00 0.00 H new ATOM 593 N THR A 168 2.604 5.055 -11.142 1.00 0.00 N ATOM 594 CA THR A 168 1.307 5.705 -11.120 1.00 0.00 C ATOM 595 C THR A 168 0.320 4.709 -11.730 1.00 0.00 C ATOM 596 O THR A 168 0.178 4.654 -12.951 1.00 0.00 O ATOM 597 CB THR A 168 1.385 7.002 -11.939 1.00 0.00 C ATOM 598 OG1 THR A 168 1.894 6.722 -13.229 1.00 0.00 O ATOM 599 CG2 THR A 168 2.296 8.033 -11.267 1.00 0.00 C ATOM 0 H THR A 168 2.822 4.667 -12.060 1.00 0.00 H new ATOM 0 HA THR A 168 0.989 5.976 -10.113 1.00 0.00 H new ATOM 0 HB THR A 168 0.378 7.413 -12.006 1.00 0.00 H new ATOM 0 HG1 THR A 168 1.487 5.898 -13.570 1.00 0.00 H new ATOM 0 HG21 THR A 168 2.329 8.939 -11.872 1.00 0.00 H new ATOM 0 HG22 THR A 168 1.907 8.272 -10.277 1.00 0.00 H new ATOM 0 HG23 THR A 168 3.302 7.623 -11.172 1.00 0.00 H new ATOM 607 N TYR A 169 -0.318 3.892 -10.892 1.00 0.00 N ATOM 608 CA TYR A 169 -1.240 2.862 -11.348 1.00 0.00 C ATOM 609 C TYR A 169 -2.599 3.457 -11.719 1.00 0.00 C ATOM 610 O TYR A 169 -2.828 4.664 -11.658 1.00 0.00 O ATOM 611 CB TYR A 169 -1.413 1.825 -10.229 1.00 0.00 C ATOM 612 CG TYR A 169 -0.137 1.210 -9.697 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.618 0.345 -10.511 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.218 1.386 -8.346 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.711 -0.353 -9.973 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.298 0.671 -7.807 1.00 0.00 C ATOM 617 CZ TYR A 169 2.053 -0.189 -8.621 1.00 0.00 C ATOM 618 OH TYR A 169 3.079 -0.911 -8.093 1.00 0.00 O ATOM 0 H TYR A 169 -0.208 3.929 -9.879 1.00 0.00 H new ATOM 0 HA TYR A 169 -0.829 2.391 -12.241 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.939 2.298 -9.400 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -2.054 1.024 -10.598 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.356 0.218 -11.551 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.341 2.071 -7.725 1.00 0.00 H new ATOM 0 HE1 TYR A 169 2.289 -1.016 -10.599 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.550 0.782 -6.763 1.00 0.00 H new ATOM 0 HH TYR A 169 3.231 -0.634 -7.165 1.00 0.00 H new ATOM 628 N THR A 170 -3.527 2.578 -12.085 1.00 0.00 N ATOM 629 CA THR A 170 -4.911 2.894 -12.392 1.00 0.00 C ATOM 630 C THR A 170 -5.710 1.666 -11.957 1.00 0.00 C ATOM 631 O THR A 170 -5.221 0.543 -12.085 1.00 0.00 O ATOM 632 CB THR A 170 -5.052 3.243 -13.879 1.00 0.00 C ATOM 633 OG1 THR A 170 -4.177 4.309 -14.189 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.479 3.675 -14.227 1.00 0.00 C ATOM 0 H THR A 170 -3.322 1.583 -12.179 1.00 0.00 H new ATOM 0 HA THR A 170 -5.286 3.773 -11.868 1.00 0.00 H new ATOM 0 HB THR A 170 -4.808 2.351 -14.456 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.261 4.536 -15.139 1.00 0.00 H new ATOM 0 HG21 THR A 170 -6.538 3.914 -15.289 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.171 2.864 -13.998 1.00 0.00 H new ATOM 0 HG23 THR A 170 -6.746 4.555 -13.642 1.00 0.00 H new ATOM 642 N CYS A 171 -6.892 1.870 -11.375 1.00 0.00 N ATOM 643 CA CYS A 171 -7.684 0.782 -10.822 1.00 0.00 C ATOM 644 C CYS A 171 -8.426 0.021 -11.915 1.00 0.00 C ATOM 645 O CYS A 171 -9.309 0.564 -12.576 1.00 0.00 O ATOM 646 CB CYS A 171 -8.641 1.330 -9.757 1.00 0.00 C ATOM 647 SG CYS A 171 -10.100 0.330 -9.365 1.00 0.00 S ATOM 0 H CYS A 171 -7.321 2.790 -11.276 1.00 0.00 H new ATOM 0 HA CYS A 171 -7.014 0.066 -10.346 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -8.075 1.477 -8.837 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.982 2.313 -10.082 1.00 0.00 H new ATOM 0 HG CYS A 171 -10.973 1.063 -8.740 1.00 0.00 H new ATOM 652 N ARG A 172 -8.097 -1.263 -12.067 1.00 0.00 N ATOM 653 CA ARG A 172 -8.702 -2.173 -13.031 1.00 0.00 C ATOM 654 C ARG A 172 -10.091 -2.634 -12.558 1.00 0.00 C ATOM 655 O ARG A 172 -10.395 -3.822 -12.612 1.00 0.00 O ATOM 656 CB ARG A 172 -7.759 -3.374 -13.201 1.00 0.00 C ATOM 657 CG ARG A 172 -6.364 -2.974 -13.708 1.00 0.00 C ATOM 658 CD ARG A 172 -5.381 -4.151 -13.652 1.00 0.00 C ATOM 659 NE ARG A 172 -5.015 -4.495 -12.267 1.00 0.00 N ATOM 660 CZ ARG A 172 -5.549 -5.468 -11.513 1.00 0.00 C ATOM 661 NH1 ARG A 172 -6.530 -6.251 -11.975 1.00 0.00 N ATOM 662 NH2 ARG A 172 -5.106 -5.644 -10.267 1.00 0.00 N ATOM 0 H ARG A 172 -7.376 -1.710 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 172 -8.842 -1.665 -13.985 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -7.659 -3.888 -12.245 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -8.204 -4.083 -13.899 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -6.440 -2.611 -14.733 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -5.980 -2.150 -13.106 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -5.827 -5.020 -14.136 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -4.481 -3.900 -14.214 1.00 0.00 H new ATOM 0 HE ARG A 172 -4.279 -3.935 -11.836 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -6.889 -6.115 -12.920 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -6.919 -6.984 -11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -4.370 -5.042 -9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -5.504 -6.380 -9.684 1.00 0.00 H new ATOM 676 N ASP A 173 -10.935 -1.702 -12.102 1.00 0.00 N ATOM 677 CA ASP A 173 -12.296 -1.938 -11.627 1.00 0.00 C ATOM 678 C ASP A 173 -13.028 -0.590 -11.686 1.00 0.00 C ATOM 679 O ASP A 173 -13.291 -0.087 -12.773 1.00 0.00 O ATOM 680 CB ASP A 173 -12.317 -2.558 -10.213 1.00 0.00 C ATOM 681 CG ASP A 173 -11.891 -4.022 -10.157 1.00 0.00 C ATOM 682 OD1 ASP A 173 -12.687 -4.864 -10.626 1.00 0.00 O ATOM 683 OD2 ASP A 173 -10.793 -4.277 -9.611 1.00 0.00 O ATOM 0 H ASP A 173 -10.672 -0.718 -12.053 1.00 0.00 H new ATOM 0 HA ASP A 173 -12.801 -2.668 -12.259 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -11.660 -1.977 -9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -13.325 -2.470 -9.807 1.00 0.00 H new ATOM 688 N ASN A 174 -13.324 0.021 -10.536 1.00 0.00 N ATOM 689 CA ASN A 174 -13.952 1.328 -10.361 1.00 0.00 C ATOM 690 C ASN A 174 -13.304 1.918 -9.110 1.00 0.00 C ATOM 691 O ASN A 174 -12.892 1.160 -8.237 1.00 0.00 O ATOM 692 CB ASN A 174 -15.471 1.202 -10.129 1.00 0.00 C ATOM 693 CG ASN A 174 -16.362 1.289 -11.370 1.00 0.00 C ATOM 694 OD1 ASN A 174 -17.514 1.689 -11.259 1.00 0.00 O ATOM 695 ND2 ASN A 174 -15.876 0.946 -12.558 1.00 0.00 N ATOM 0 H ASN A 174 -13.115 -0.419 -9.640 1.00 0.00 H new ATOM 0 HA ASN A 174 -13.815 1.945 -11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -15.663 0.248 -9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -15.776 1.985 -9.435 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -16.464 1.015 -13.389 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -14.915 0.614 -12.639 1.00 0.00 H new ATOM 702 N LYS A 175 -13.211 3.247 -9.002 1.00 0.00 N ATOM 703 CA LYS A 175 -12.581 3.922 -7.866 1.00 0.00 C ATOM 704 C LYS A 175 -13.037 3.398 -6.493 1.00 0.00 C ATOM 705 O LYS A 175 -12.268 3.420 -5.537 1.00 0.00 O ATOM 706 CB LYS A 175 -12.776 5.440 -7.990 1.00 0.00 C ATOM 707 CG LYS A 175 -14.257 5.843 -7.906 1.00 0.00 C ATOM 708 CD LYS A 175 -14.432 7.359 -8.041 1.00 0.00 C ATOM 709 CE LYS A 175 -15.918 7.740 -8.104 1.00 0.00 C ATOM 710 NZ LYS A 175 -16.672 7.260 -6.929 1.00 0.00 N ATOM 0 H LYS A 175 -13.574 3.889 -9.707 1.00 0.00 H new ATOM 0 HA LYS A 175 -11.517 3.689 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -12.219 5.942 -7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -12.361 5.782 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -14.818 5.339 -8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -14.673 5.510 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -13.961 7.859 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -13.925 7.708 -8.941 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -16.010 8.824 -8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -16.359 7.324 -9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -17.629 7.668 -6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -16.738 6.223 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -16.182 7.551 -6.059 1.00 0.00 H new ATOM 724 N ASP A 176 -14.278 2.909 -6.394 1.00 0.00 N ATOM 725 CA ASP A 176 -14.864 2.397 -5.155 1.00 0.00 C ATOM 726 C ASP A 176 -14.367 0.985 -4.795 1.00 0.00 C ATOM 727 O ASP A 176 -14.889 0.369 -3.867 1.00 0.00 O ATOM 728 CB ASP A 176 -16.394 2.433 -5.268 1.00 0.00 C ATOM 729 CG ASP A 176 -16.912 3.841 -5.545 1.00 0.00 C ATOM 730 OD1 ASP A 176 -16.932 4.214 -6.740 1.00 0.00 O ATOM 731 OD2 ASP A 176 -17.258 4.530 -4.563 1.00 0.00 O ATOM 0 H ASP A 176 -14.914 2.858 -7.190 1.00 0.00 H new ATOM 0 HA ASP A 176 -14.539 3.043 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -16.715 1.765 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -16.835 2.059 -4.344 1.00 0.00 H new ATOM 736 N CYS A 177 -13.367 0.468 -5.512 1.00 0.00 N ATOM 737 CA CYS A 177 -12.714 -0.825 -5.319 1.00 0.00 C ATOM 738 C CYS A 177 -11.913 -0.841 -4.006 1.00 0.00 C ATOM 739 O CYS A 177 -10.687 -0.920 -3.991 1.00 0.00 O ATOM 740 CB CYS A 177 -11.854 -1.037 -6.571 1.00 0.00 C ATOM 741 SG CYS A 177 -10.584 -2.329 -6.648 1.00 0.00 S ATOM 0 H CYS A 177 -12.965 0.979 -6.298 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.422 -1.647 -5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -12.540 -1.219 -7.398 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -11.354 -0.090 -6.774 1.00 0.00 H new ATOM 0 HG CYS A 177 -9.984 -2.417 -5.498 1.00 0.00 H new ATOM 746 N LEU A 178 -12.625 -0.761 -2.884 1.00 0.00 N ATOM 747 CA LEU A 178 -12.052 -0.762 -1.545 1.00 0.00 C ATOM 748 C LEU A 178 -11.243 -2.041 -1.316 1.00 0.00 C ATOM 749 O LEU A 178 -11.665 -3.129 -1.715 1.00 0.00 O ATOM 750 CB LEU A 178 -13.189 -0.627 -0.521 1.00 0.00 C ATOM 751 CG LEU A 178 -12.733 -0.632 0.949 1.00 0.00 C ATOM 752 CD1 LEU A 178 -11.811 0.549 1.276 1.00 0.00 C ATOM 753 CD2 LEU A 178 -13.969 -0.566 1.852 1.00 0.00 C ATOM 0 H LEU A 178 -13.643 -0.692 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 178 -11.370 0.080 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -13.728 0.300 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -13.894 -1.444 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 178 -12.169 -1.549 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -11.516 0.501 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -10.922 0.502 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -12.338 1.485 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -13.657 -0.569 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -14.525 0.348 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -14.606 -1.430 1.661 1.00 0.00 H new ATOM 765 N ILE A 179 -10.082 -1.932 -0.665 1.00 0.00 N ATOM 766 CA ILE A 179 -9.257 -3.094 -0.374 1.00 0.00 C ATOM 767 C ILE A 179 -9.813 -3.820 0.853 1.00 0.00 C ATOM 768 O ILE A 179 -9.238 -3.774 1.937 1.00 0.00 O ATOM 769 CB ILE A 179 -7.763 -2.740 -0.273 1.00 0.00 C ATOM 770 CG1 ILE A 179 -7.273 -1.933 -1.488 1.00 0.00 C ATOM 771 CG2 ILE A 179 -6.906 -4.014 -0.143 1.00 0.00 C ATOM 772 CD1 ILE A 179 -7.480 -2.641 -2.834 1.00 0.00 C ATOM 0 H ILE A 179 -9.697 -1.048 -0.332 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.308 -3.790 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 179 -7.651 -2.124 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -7.794 -0.976 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -6.212 -1.716 -1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -5.854 -3.739 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.199 -4.560 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.059 -4.646 -1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -7.109 -2.007 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -6.936 -3.586 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -8.542 -2.834 -2.984 1.00 0.00 H new ATOM 784 N ASP A 180 -10.949 -4.495 0.671 1.00 0.00 N ATOM 785 CA ASP A 180 -11.550 -5.298 1.727 1.00 0.00 C ATOM 786 C ASP A 180 -10.620 -6.469 2.067 1.00 0.00 C ATOM 787 O ASP A 180 -9.755 -6.829 1.267 1.00 0.00 O ATOM 788 CB ASP A 180 -12.932 -5.804 1.296 1.00 0.00 C ATOM 789 CG ASP A 180 -13.940 -4.666 1.179 1.00 0.00 C ATOM 790 OD1 ASP A 180 -14.264 -4.087 2.237 1.00 0.00 O ATOM 791 OD2 ASP A 180 -14.371 -4.401 0.035 1.00 0.00 O ATOM 0 H ASP A 180 -11.471 -4.499 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 180 -11.684 -4.683 2.617 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -12.849 -6.316 0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -13.293 -6.536 2.018 1.00 0.00 H new ATOM 921 N CYS A 187 -6.113 -4.734 -6.042 1.00 0.00 N ATOM 922 CA CYS A 187 -5.935 -3.595 -6.920 1.00 0.00 C ATOM 923 C CYS A 187 -4.832 -2.625 -6.482 1.00 0.00 C ATOM 924 O CYS A 187 -4.970 -1.897 -5.499 1.00 0.00 O ATOM 925 CB CYS A 187 -7.269 -2.875 -7.036 1.00 0.00 C ATOM 926 SG CYS A 187 -7.174 -1.479 -8.160 1.00 0.00 S ATOM 0 HA CYS A 187 -5.602 -3.975 -7.886 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -8.030 -3.573 -7.386 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -7.583 -2.529 -6.051 1.00 0.00 H new ATOM 0 HG CYS A 187 -8.373 -1.056 -8.429 1.00 0.00 H new ATOM 931 N GLN A 188 -3.752 -2.593 -7.262 1.00 0.00 N ATOM 932 CA GLN A 188 -2.579 -1.761 -7.062 1.00 0.00 C ATOM 933 C GLN A 188 -2.931 -0.285 -6.840 1.00 0.00 C ATOM 934 O GLN A 188 -2.443 0.314 -5.884 1.00 0.00 O ATOM 935 CB GLN A 188 -1.610 -1.920 -8.245 1.00 0.00 C ATOM 936 CG GLN A 188 -0.989 -3.325 -8.361 1.00 0.00 C ATOM 937 CD GLN A 188 -1.875 -4.364 -9.046 1.00 0.00 C ATOM 938 OE1 GLN A 188 -2.991 -4.075 -9.471 1.00 0.00 O ATOM 939 NE2 GLN A 188 -1.390 -5.596 -9.163 1.00 0.00 N ATOM 0 H GLN A 188 -3.674 -3.180 -8.093 1.00 0.00 H new ATOM 0 HA GLN A 188 -2.092 -2.103 -6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -2.140 -1.691 -9.169 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.809 -1.187 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -0.052 -3.248 -8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -0.743 -3.681 -7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 188 -0.461 -5.815 -8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 188 -1.947 -6.323 -9.613 1.00 0.00 H new ATOM 948 N TYR A 189 -3.754 0.329 -7.700 1.00 0.00 N ATOM 949 CA TYR A 189 -4.057 1.746 -7.544 1.00 0.00 C ATOM 950 C TYR A 189 -4.734 2.033 -6.214 1.00 0.00 C ATOM 951 O TYR A 189 -4.339 2.952 -5.506 1.00 0.00 O ATOM 952 CB TYR A 189 -4.911 2.245 -8.708 1.00 0.00 C ATOM 953 CG TYR A 189 -5.254 3.722 -8.633 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.226 4.682 -8.673 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.583 4.141 -8.429 1.00 0.00 C ATOM 956 CE1 TYR A 189 -4.528 6.045 -8.523 1.00 0.00 C ATOM 957 CE2 TYR A 189 -6.891 5.508 -8.330 1.00 0.00 C ATOM 958 CZ TYR A 189 -5.860 6.459 -8.356 1.00 0.00 C ATOM 959 OH TYR A 189 -6.136 7.756 -8.048 1.00 0.00 O ATOM 0 H TYR A 189 -4.210 -0.125 -8.491 1.00 0.00 H new ATOM 0 HA TYR A 189 -3.111 2.288 -7.551 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -4.383 2.052 -9.642 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.836 1.669 -8.740 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.203 4.370 -8.819 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.371 3.406 -8.348 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -3.734 6.777 -8.536 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -7.919 5.826 -8.234 1.00 0.00 H new ATOM 0 HH TYR A 189 -5.455 8.098 -7.432 1.00 0.00 H new ATOM 969 N CYS A 190 -5.750 1.247 -5.867 1.00 0.00 N ATOM 970 CA CYS A 190 -6.463 1.428 -4.620 1.00 0.00 C ATOM 971 C CYS A 190 -5.514 1.198 -3.439 1.00 0.00 C ATOM 972 O CYS A 190 -5.488 2.006 -2.512 1.00 0.00 O ATOM 973 CB CYS A 190 -7.695 0.530 -4.627 1.00 0.00 C ATOM 974 SG CYS A 190 -8.904 0.962 -5.902 1.00 0.00 S ATOM 0 H CYS A 190 -6.094 0.477 -6.440 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.822 2.451 -4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.380 -0.503 -4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.176 0.581 -3.650 1.00 0.00 H new ATOM 0 HG CYS A 190 -8.640 0.303 -6.991 1.00 0.00 H new ATOM 979 N ARG A 191 -4.698 0.138 -3.479 1.00 0.00 N ATOM 980 CA ARG A 191 -3.703 -0.128 -2.440 1.00 0.00 C ATOM 981 C ARG A 191 -2.784 1.089 -2.260 1.00 0.00 C ATOM 982 O ARG A 191 -2.572 1.563 -1.143 1.00 0.00 O ATOM 983 CB ARG A 191 -2.882 -1.377 -2.798 1.00 0.00 C ATOM 984 CG ARG A 191 -3.710 -2.657 -2.635 1.00 0.00 C ATOM 985 CD ARG A 191 -3.158 -3.813 -3.470 1.00 0.00 C ATOM 986 NE ARG A 191 -1.779 -4.160 -3.122 1.00 0.00 N ATOM 987 CZ ARG A 191 -1.051 -5.067 -3.788 1.00 0.00 C ATOM 988 NH1 ARG A 191 -1.529 -5.667 -4.886 1.00 0.00 N ATOM 989 NH2 ARG A 191 0.168 -5.379 -3.341 1.00 0.00 N ATOM 0 H ARG A 191 -4.710 -0.554 -4.228 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.219 -0.312 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.528 -1.299 -3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.000 -1.429 -2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -3.726 -2.946 -1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.741 -2.460 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -3.793 -4.688 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -3.205 -3.547 -4.526 1.00 0.00 H new ATOM 0 HE ARG A 191 -1.348 -3.685 -2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -2.462 -5.436 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -0.960 -6.355 -5.380 1.00 0.00 H new ATOM 0 HH21 ARG A 191 0.534 -4.929 -2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 191 0.733 -6.068 -3.838 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.238 1.595 -3.368 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.351 2.749 -3.370 1.00 0.00 C ATOM 1005 C TYR A 192 -2.068 3.978 -2.806 1.00 0.00 C ATOM 1006 O TYR A 192 -1.559 4.626 -1.897 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.831 2.963 -4.795 1.00 0.00 C ATOM 1008 CG TYR A 192 0.176 4.080 -5.005 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.328 4.173 -4.196 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.090 4.852 -6.178 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.402 4.991 -4.593 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.188 5.616 -6.604 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.363 5.645 -5.837 1.00 0.00 C ATOM 1014 OH TYR A 192 3.501 6.191 -6.356 1.00 0.00 O ATOM 0 H TYR A 192 -2.404 1.207 -4.297 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.494 2.575 -2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.377 2.031 -5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.687 3.154 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.386 3.617 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.824 4.857 -6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.255 5.116 -3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.129 6.182 -7.522 1.00 0.00 H new ATOM 0 HH TYR A 192 3.554 5.989 -7.313 1.00 0.00 H new ATOM 1024 N GLN A 193 -3.262 4.295 -3.315 1.00 0.00 N ATOM 1025 CA GLN A 193 -4.054 5.413 -2.832 1.00 0.00 C ATOM 1026 C GLN A 193 -4.282 5.302 -1.324 1.00 0.00 C ATOM 1027 O GLN A 193 -4.107 6.288 -0.618 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.387 5.489 -3.587 1.00 0.00 C ATOM 1029 CG GLN A 193 -5.242 6.089 -4.994 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.801 7.555 -5.035 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -4.331 8.030 -6.066 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -4.945 8.304 -3.944 1.00 0.00 N ATOM 0 H GLN A 193 -3.702 3.777 -4.076 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.504 6.335 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -5.812 4.488 -3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -6.091 6.090 -3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -4.520 5.493 -5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -6.198 5.999 -5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -5.337 7.898 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -4.664 9.284 -3.958 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.654 4.120 -0.825 1.00 0.00 N ATOM 1042 CA LYS A 194 -4.847 3.901 0.604 1.00 0.00 C ATOM 1043 C LYS A 194 -3.539 4.215 1.345 1.00 0.00 C ATOM 1044 O LYS A 194 -3.521 5.016 2.280 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.302 2.453 0.847 1.00 0.00 C ATOM 1046 CG LYS A 194 -6.742 2.184 0.376 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.818 2.585 1.398 1.00 0.00 C ATOM 1048 CE LYS A 194 -7.912 1.582 2.557 1.00 0.00 C ATOM 1049 NZ LYS A 194 -8.964 1.959 3.516 1.00 0.00 N ATOM 0 H LYS A 194 -4.828 3.295 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.623 4.564 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -4.624 1.774 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -5.227 2.229 1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -6.917 2.727 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -6.847 1.123 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.592 3.575 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -8.785 2.654 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -8.118 0.587 2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -6.952 1.528 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -8.999 1.260 4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -8.754 2.898 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -9.883 1.986 3.030 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.437 3.597 0.911 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.118 3.805 1.498 1.00 0.00 C ATOM 1065 C ALA A 195 -0.782 5.300 1.596 1.00 0.00 C ATOM 1066 O ALA A 195 -0.356 5.794 2.642 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.075 3.064 0.659 1.00 0.00 C ATOM 0 H ALA A 195 -2.439 2.934 0.136 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.114 3.408 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.914 3.215 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.307 1.999 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.088 3.449 -0.361 1.00 0.00 H new ATOM 1073 N LEU A 196 -0.980 6.023 0.492 1.00 0.00 N ATOM 1074 CA LEU A 196 -0.729 7.448 0.422 1.00 0.00 C ATOM 1075 C LEU A 196 -1.664 8.209 1.361 1.00 0.00 C ATOM 1076 O LEU A 196 -1.211 9.064 2.115 1.00 0.00 O ATOM 1077 CB LEU A 196 -0.879 7.925 -1.028 1.00 0.00 C ATOM 1078 CG LEU A 196 0.197 7.369 -1.979 1.00 0.00 C ATOM 1079 CD1 LEU A 196 -0.222 7.644 -3.427 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.570 8.000 -1.724 1.00 0.00 C ATOM 0 H LEU A 196 -1.322 5.624 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 196 0.291 7.650 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -1.862 7.633 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -0.841 9.014 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 196 0.283 6.298 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.536 7.253 -4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.176 7.157 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -0.324 8.719 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.298 7.579 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.508 9.078 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 196 1.881 7.793 -0.700 1.00 0.00 H new ATOM 1092 N ALA A 197 -2.959 7.893 1.329 1.00 0.00 N ATOM 1093 CA ALA A 197 -3.973 8.528 2.159 1.00 0.00 C ATOM 1094 C ALA A 197 -3.580 8.480 3.635 1.00 0.00 C ATOM 1095 O ALA A 197 -3.633 9.502 4.315 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.343 7.885 1.922 1.00 0.00 C ATOM 0 H ALA A 197 -3.336 7.174 0.712 1.00 0.00 H new ATOM 0 HA ALA A 197 -4.043 9.578 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.088 8.373 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -5.622 7.999 0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.296 6.825 2.172 1.00 0.00 H new ATOM 1102 N MET A 198 -3.171 7.308 4.133 1.00 0.00 N ATOM 1103 CA MET A 198 -2.751 7.175 5.525 1.00 0.00 C ATOM 1104 C MET A 198 -1.349 7.747 5.777 1.00 0.00 C ATOM 1105 O MET A 198 -0.893 7.766 6.918 1.00 0.00 O ATOM 1106 CB MET A 198 -2.936 5.732 6.015 1.00 0.00 C ATOM 1107 CG MET A 198 -4.409 5.510 6.396 1.00 0.00 C ATOM 1108 SD MET A 198 -5.624 5.467 5.054 1.00 0.00 S ATOM 1109 CE MET A 198 -5.341 3.793 4.459 1.00 0.00 C ATOM 0 H MET A 198 -3.123 6.444 3.593 1.00 0.00 H new ATOM 0 HA MET A 198 -3.408 7.794 6.136 1.00 0.00 H new ATOM 0 HB2 MET A 198 -2.640 5.030 5.235 1.00 0.00 H new ATOM 0 HB3 MET A 198 -2.293 5.542 6.875 1.00 0.00 H new ATOM 0 HG2 MET A 198 -4.477 4.569 6.941 1.00 0.00 H new ATOM 0 HG3 MET A 198 -4.700 6.301 7.088 1.00 0.00 H new ATOM 0 HE1 MET A 198 -5.903 3.634 3.539 1.00 0.00 H new ATOM 0 HE2 MET A 198 -4.278 3.651 4.264 1.00 0.00 H new ATOM 0 HE3 MET A 198 -5.670 3.078 5.213 1.00 0.00 H new ATOM 1119 N GLY A 199 -0.680 8.264 4.745 1.00 0.00 N ATOM 1120 CA GLY A 199 0.584 8.953 4.887 1.00 0.00 C ATOM 1121 C GLY A 199 1.762 8.007 5.037 1.00 0.00 C ATOM 1122 O GLY A 199 2.664 8.293 5.824 1.00 0.00 O ATOM 0 H GLY A 199 -1.012 8.211 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.745 9.589 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 199 0.538 9.608 5.757 1.00 0.00 H new ATOM 1126 N MET A 200 1.792 6.914 4.266 1.00 0.00 N ATOM 1127 CA MET A 200 2.969 6.052 4.286 1.00 0.00 C ATOM 1128 C MET A 200 4.176 6.893 3.857 1.00 0.00 C ATOM 1129 O MET A 200 4.168 7.517 2.793 1.00 0.00 O ATOM 1130 CB MET A 200 2.806 4.817 3.394 1.00 0.00 C ATOM 1131 CG MET A 200 2.011 3.719 4.103 1.00 0.00 C ATOM 1132 SD MET A 200 2.157 2.080 3.358 1.00 0.00 S ATOM 1133 CE MET A 200 1.315 1.106 4.617 1.00 0.00 C ATOM 0 H MET A 200 1.042 6.616 3.643 1.00 0.00 H new ATOM 0 HA MET A 200 3.114 5.667 5.296 1.00 0.00 H new ATOM 0 HB2 MET A 200 2.299 5.097 2.471 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.788 4.435 3.115 1.00 0.00 H new ATOM 0 HG2 MET A 200 2.341 3.662 5.140 1.00 0.00 H new ATOM 0 HG3 MET A 200 0.959 4.004 4.119 1.00 0.00 H new ATOM 0 HE1 MET A 200 1.262 0.065 4.297 1.00 0.00 H new ATOM 0 HE2 MET A 200 1.866 1.170 5.555 1.00 0.00 H new ATOM 0 HE3 MET A 200 0.306 1.493 4.762 1.00 0.00 H new ATOM 1143 N LYS A 201 5.197 6.959 4.710 1.00 0.00 N ATOM 1144 CA LYS A 201 6.355 7.798 4.489 1.00 0.00 C ATOM 1145 C LYS A 201 7.225 7.286 3.341 1.00 0.00 C ATOM 1146 O LYS A 201 8.202 6.576 3.570 1.00 0.00 O ATOM 1147 CB LYS A 201 7.138 7.951 5.798 1.00 0.00 C ATOM 1148 CG LYS A 201 6.285 8.507 6.951 1.00 0.00 C ATOM 1149 CD LYS A 201 5.652 9.875 6.658 1.00 0.00 C ATOM 1150 CE LYS A 201 4.849 10.391 7.857 1.00 0.00 C ATOM 1151 NZ LYS A 201 3.735 9.485 8.198 1.00 0.00 N ATOM 0 H LYS A 201 5.236 6.425 5.578 1.00 0.00 H new ATOM 0 HA LYS A 201 6.016 8.786 4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 201 7.542 6.981 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.988 8.613 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 201 5.493 7.794 7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.907 8.590 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 201 6.433 10.592 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 201 4.999 9.796 5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 201 5.509 10.497 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 201 4.456 11.383 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 2.982 10.023 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 3.358 9.056 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 4.078 8.736 8.833 1.00 0.00 H new ATOM 1165 N ARG A 202 6.887 7.690 2.110 1.00 0.00 N ATOM 1166 CA ARG A 202 7.631 7.388 0.888 1.00 0.00 C ATOM 1167 C ARG A 202 9.139 7.553 1.111 1.00 0.00 C ATOM 1168 O ARG A 202 9.934 6.744 0.640 1.00 0.00 O ATOM 1169 CB ARG A 202 7.185 8.324 -0.245 1.00 0.00 C ATOM 1170 CG ARG A 202 5.747 8.071 -0.719 1.00 0.00 C ATOM 1171 CD ARG A 202 5.364 9.052 -1.834 1.00 0.00 C ATOM 1172 NE ARG A 202 6.210 8.894 -3.029 1.00 0.00 N ATOM 1173 CZ ARG A 202 5.871 8.292 -4.181 1.00 0.00 C ATOM 1174 NH1 ARG A 202 4.730 7.602 -4.293 1.00 0.00 N ATOM 1175 NH2 ARG A 202 6.695 8.397 -5.229 1.00 0.00 N ATOM 0 H ARG A 202 6.057 8.257 1.935 1.00 0.00 H new ATOM 0 HA ARG A 202 7.425 6.353 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 202 7.271 9.357 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 202 7.863 8.207 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 202 5.653 7.047 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 202 5.058 8.178 0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 202 4.320 8.899 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 202 5.450 10.073 -1.463 1.00 0.00 H new ATOM 0 HE ARG A 202 7.152 9.282 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 202 4.100 7.526 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 202 4.491 7.152 -5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 202 7.563 8.927 -5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 202 6.456 7.947 -6.113 1.00 0.00 H new ATOM 1189 N GLU A 203 9.532 8.593 1.850 1.00 0.00 N ATOM 1190 CA GLU A 203 10.921 8.882 2.160 1.00 0.00 C ATOM 1191 C GLU A 203 11.645 7.659 2.736 1.00 0.00 C ATOM 1192 O GLU A 203 12.798 7.411 2.392 1.00 0.00 O ATOM 1193 CB GLU A 203 10.989 10.072 3.124 1.00 0.00 C ATOM 1194 CG GLU A 203 10.261 11.324 2.605 1.00 0.00 C ATOM 1195 CD GLU A 203 10.671 11.690 1.183 1.00 0.00 C ATOM 1196 OE1 GLU A 203 11.809 12.184 1.030 1.00 0.00 O ATOM 1197 OE2 GLU A 203 9.847 11.445 0.275 1.00 0.00 O ATOM 0 H GLU A 203 8.878 9.264 2.253 1.00 0.00 H new ATOM 0 HA GLU A 203 11.436 9.140 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 203 10.556 9.780 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 203 12.034 10.320 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 203 9.185 11.154 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 203 10.471 12.163 3.268 1.00 0.00 H new ATOM 1204 N ALA A 204 10.979 6.866 3.579 1.00 0.00 N ATOM 1205 CA ALA A 204 11.595 5.680 4.159 1.00 0.00 C ATOM 1206 C ALA A 204 12.007 4.666 3.091 1.00 0.00 C ATOM 1207 O ALA A 204 12.959 3.918 3.285 1.00 0.00 O ATOM 1208 CB ALA A 204 10.676 5.034 5.189 1.00 0.00 C ATOM 0 H ALA A 204 10.015 7.027 3.872 1.00 0.00 H new ATOM 0 HA ALA A 204 12.504 6.008 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 204 11.161 4.151 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 204 10.468 5.745 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.741 4.743 4.710 1.00 0.00 H new ATOM 1214 N VAL A 205 11.340 4.649 1.933 1.00 0.00 N ATOM 1215 CA VAL A 205 11.731 3.754 0.852 1.00 0.00 C ATOM 1216 C VAL A 205 13.141 4.108 0.359 1.00 0.00 C ATOM 1217 O VAL A 205 13.843 3.267 -0.202 1.00 0.00 O ATOM 1218 CB VAL A 205 10.678 3.792 -0.264 1.00 0.00 C ATOM 1219 CG1 VAL A 205 11.143 2.972 -1.467 1.00 0.00 C ATOM 1220 CG2 VAL A 205 9.324 3.305 0.277 1.00 0.00 C ATOM 0 H VAL A 205 10.535 5.240 1.726 1.00 0.00 H new ATOM 0 HA VAL A 205 11.773 2.727 1.214 1.00 0.00 H new ATOM 0 HB VAL A 205 10.550 4.819 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 205 10.384 3.010 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 205 12.078 3.383 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 205 11.299 1.937 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 205 8.582 3.335 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 205 9.424 2.283 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 205 9.005 3.952 1.094 1.00 0.00 H new ATOM 1230 N GLN A 206 13.591 5.343 0.611 1.00 0.00 N ATOM 1231 CA GLN A 206 14.924 5.783 0.257 1.00 0.00 C ATOM 1232 C GLN A 206 15.952 5.344 1.312 1.00 0.00 C ATOM 1233 O GLN A 206 17.100 5.778 1.250 1.00 0.00 O ATOM 1234 CB GLN A 206 14.927 7.299 0.021 1.00 0.00 C ATOM 1235 CG GLN A 206 13.764 7.746 -0.880 1.00 0.00 C ATOM 1236 CD GLN A 206 13.699 6.985 -2.199 1.00 0.00 C ATOM 1237 OE1 GLN A 206 14.705 6.820 -2.888 1.00 0.00 O ATOM 1238 NE2 GLN A 206 12.528 6.467 -2.556 1.00 0.00 N ATOM 0 H GLN A 206 13.029 6.061 1.069 1.00 0.00 H new ATOM 0 HA GLN A 206 15.224 5.305 -0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.862 7.815 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.872 7.593 -0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 206 12.825 7.611 -0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 206 13.862 8.812 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 206 11.705 6.615 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 206 12.452 5.922 -3.415 1.00 0.00 H new ATOM 1247 N GLU A 207 15.574 4.485 2.272 1.00 0.00 N ATOM 1248 CA GLU A 207 16.500 3.987 3.285 1.00 0.00 C ATOM 1249 C GLU A 207 17.348 2.861 2.694 1.00 0.00 C ATOM 1250 O GLU A 207 18.538 2.743 2.982 1.00 0.00 O ATOM 1251 CB GLU A 207 15.731 3.517 4.525 1.00 0.00 C ATOM 1252 CG GLU A 207 15.171 4.708 5.316 1.00 0.00 C ATOM 1253 CD GLU A 207 14.155 4.300 6.383 1.00 0.00 C ATOM 1254 OE1 GLU A 207 13.960 3.078 6.582 1.00 0.00 O ATOM 1255 OE2 GLU A 207 13.583 5.228 6.994 1.00 0.00 O ATOM 0 H GLU A 207 14.625 4.123 2.362 1.00 0.00 H new ATOM 0 HA GLU A 207 17.166 4.792 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 207 14.914 2.862 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 207 16.391 2.930 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 207 15.995 5.239 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 207 14.700 5.406 4.624 1.00 0.00 H new