USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=27 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 174 ASN : amide:sc= 0.907 K(o=3.5,f=1.7) USER MOD Set 1.2: A 189 TYR OH : rot -59:sc= 2.04 USER MOD Set 1.3: A 193 GLN : amide:sc= 0.513 K(o=3.5,f=1.1) USER MOD Set 2.1: A 162 THR OG1 : rot 82:sc= 1.96 USER MOD Set 2.2: A 169 TYR OH : rot 171:sc= 1.87 USER MOD Set 2.3: A 188 GLN : amide:sc= 0.587 K(o=4.4,f=3.1) USER MOD Set 3.1: A 171 CYS SG : rot 136:sc= 0.471 USER MOD Set 3.2: A 177 CYS SG : rot -164:sc= 0.586 USER MOD Set 3.3: A 187 CYS SG : rot 165:sc= 0.201 USER MOD Set 3.4: A 190 CYS SG : rot 162:sc= -0.345 USER MOD Set 4.1: A 143 SER OG : rot 93:sc= 1.01 USER MOD Set 4.2: A 146 HIS : no HE2:sc= 1.01 K(o=2.7,f=-7.1!) USER MOD Set 4.3: A 151 SER OG : rot -74:sc= 0.949 USER MOD Set 4.4: A 200 MET CE :methyl 173:sc= -0.257 (180deg=-0.376) USER MOD Set 5.1: A 145 LYS NZ :NH3+ 171:sc= 0.329 (180deg=0) USER MOD Set 5.2: A 150 TYR OH : rot 180:sc= 0.311 USER MOD Set 6.1: A 147 TYR OH : rot -169:sc= 0.953 USER MOD Set 6.2: A 156 LYS NZ :NH3+ -170:sc=-0.00627 (180deg=-0.0997) USER MOD Set 7.1: A 135 CYS SG : rot -142:sc= 0.115 USER MOD Set 7.2: A 138 CYS SG : rot -106:sc= 0.677 USER MOD Set 7.3: A 152 CYS SG : rot -68:sc= 0.385 USER MOD Set 7.4: A 155 CYS SG : rot -120:sc= 0.502 USER MOD Single : A 133 HIS : no HD1:sc= -0.949 K(o=-0.95,f=-0.35) USER MOD Single : A 142 SER OG : rot 91:sc= 0.636 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0567) USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 175 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 TYR OH : rot 158:sc= 2.41 USER MOD Single : A 194 LYS NZ :NH3+ 161:sc= 0.741 (180deg=0.444) USER MOD Single : A 198 MET CE :methyl -177:sc= -0.0472 (180deg=-0.0777) USER MOD Single : A 201 LYS NZ :NH3+ -154:sc= 0.994 (180deg=0.379) USER MOD Single : A 206 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 57 N HIS A 133 -2.778 -4.073 15.709 1.00 0.00 N ATOM 58 CA HIS A 133 -3.472 -3.281 14.708 1.00 0.00 C ATOM 59 C HIS A 133 -3.655 -4.083 13.419 1.00 0.00 C ATOM 60 O HIS A 133 -2.818 -4.919 13.070 1.00 0.00 O ATOM 61 CB HIS A 133 -2.680 -2.005 14.407 1.00 0.00 C ATOM 62 CG HIS A 133 -2.666 -0.993 15.525 1.00 0.00 C ATOM 63 ND1 HIS A 133 -1.908 -1.053 16.672 1.00 0.00 N ATOM 64 CD2 HIS A 133 -3.338 0.201 15.539 1.00 0.00 C ATOM 65 CE1 HIS A 133 -2.135 0.074 17.367 1.00 0.00 C ATOM 66 NE2 HIS A 133 -2.986 0.878 16.710 1.00 0.00 N ATOM 0 HA HIS A 133 -4.453 -3.016 15.101 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -1.652 -2.279 14.171 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -3.098 -1.536 13.516 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -4.019 0.556 14.780 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -1.692 0.302 18.325 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -3.311 1.799 17.006 1.00 0.00 H new ATOM 74 N ILE A 134 -4.732 -3.792 12.690 1.00 0.00 N ATOM 75 CA ILE A 134 -5.010 -4.387 11.391 1.00 0.00 C ATOM 76 C ILE A 134 -4.406 -3.501 10.305 1.00 0.00 C ATOM 77 O ILE A 134 -4.216 -2.302 10.503 1.00 0.00 O ATOM 78 CB ILE A 134 -6.516 -4.590 11.175 1.00 0.00 C ATOM 79 CG1 ILE A 134 -7.347 -3.344 11.534 1.00 0.00 C ATOM 80 CG2 ILE A 134 -6.970 -5.835 11.940 1.00 0.00 C ATOM 81 CD1 ILE A 134 -8.774 -3.420 10.982 1.00 0.00 C ATOM 0 H ILE A 134 -5.443 -3.127 12.993 1.00 0.00 H new ATOM 0 HA ILE A 134 -4.555 -5.376 11.345 1.00 0.00 H new ATOM 0 HB ILE A 134 -6.693 -4.745 10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -7.384 -3.234 12.618 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -6.854 -2.455 11.140 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -8.039 -5.984 11.790 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -6.427 -6.706 11.573 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -6.767 -5.703 13.003 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -9.321 -2.519 11.261 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -8.740 -3.502 9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -9.278 -4.293 11.396 1.00 0.00 H new ATOM 93 N CYS A 135 -4.082 -4.111 9.167 1.00 0.00 N ATOM 94 CA CYS A 135 -3.452 -3.429 8.057 1.00 0.00 C ATOM 95 C CYS A 135 -4.369 -2.334 7.530 1.00 0.00 C ATOM 96 O CYS A 135 -5.447 -2.638 7.023 1.00 0.00 O ATOM 97 CB CYS A 135 -3.113 -4.421 6.941 1.00 0.00 C ATOM 98 SG CYS A 135 -2.407 -3.642 5.464 1.00 0.00 S ATOM 0 H CYS A 135 -4.254 -5.102 8.996 1.00 0.00 H new ATOM 0 HA CYS A 135 -2.525 -2.975 8.407 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -2.408 -5.159 7.324 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -4.017 -4.961 6.659 1.00 0.00 H new ATOM 0 HG CYS A 135 -2.863 -4.235 4.401 1.00 0.00 H new ATOM 103 N ALA A 136 -3.926 -1.080 7.612 1.00 0.00 N ATOM 104 CA ALA A 136 -4.662 0.086 7.139 1.00 0.00 C ATOM 105 C ALA A 136 -5.296 -0.130 5.761 1.00 0.00 C ATOM 106 O ALA A 136 -6.413 0.308 5.500 1.00 0.00 O ATOM 107 CB ALA A 136 -3.694 1.270 7.083 1.00 0.00 C ATOM 0 H ALA A 136 -3.022 -0.844 8.020 1.00 0.00 H new ATOM 0 HA ALA A 136 -5.482 0.275 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.223 2.156 6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -3.292 1.459 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.877 1.040 6.399 1.00 0.00 H new ATOM 113 N ILE A 137 -4.542 -0.768 4.868 1.00 0.00 N ATOM 114 CA ILE A 137 -4.924 -0.970 3.481 1.00 0.00 C ATOM 115 C ILE A 137 -5.914 -2.123 3.265 1.00 0.00 C ATOM 116 O ILE A 137 -6.741 -2.004 2.367 1.00 0.00 O ATOM 117 CB ILE A 137 -3.645 -1.123 2.633 1.00 0.00 C ATOM 118 CG1 ILE A 137 -2.803 0.164 2.705 1.00 0.00 C ATOM 119 CG2 ILE A 137 -3.966 -1.426 1.162 1.00 0.00 C ATOM 120 CD1 ILE A 137 -1.357 -0.081 2.279 1.00 0.00 C ATOM 0 H ILE A 137 -3.631 -1.165 5.098 1.00 0.00 H new ATOM 0 HA ILE A 137 -5.478 -0.090 3.154 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.085 -1.963 3.044 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -3.247 0.925 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.821 0.554 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -3.037 -1.526 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.532 -2.356 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.557 -0.612 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -0.796 0.851 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -0.905 -0.823 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -1.337 -0.446 1.252 1.00 0.00 H new ATOM 132 N CYS A 138 -5.829 -3.241 4.007 1.00 0.00 N ATOM 133 CA CYS A 138 -6.668 -4.413 3.709 1.00 0.00 C ATOM 134 C CYS A 138 -7.229 -5.191 4.903 1.00 0.00 C ATOM 135 O CYS A 138 -7.867 -6.223 4.708 1.00 0.00 O ATOM 136 CB CYS A 138 -5.894 -5.349 2.772 1.00 0.00 C ATOM 137 SG CYS A 138 -4.371 -6.076 3.428 1.00 0.00 S ATOM 0 H CYS A 138 -5.201 -3.357 4.802 1.00 0.00 H new ATOM 0 HA CYS A 138 -7.564 -4.006 3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -6.559 -6.161 2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -5.645 -4.795 1.867 1.00 0.00 H new ATOM 0 HG CYS A 138 -3.343 -5.498 2.881 1.00 0.00 H new ATOM 142 N GLY A 139 -7.028 -4.727 6.132 1.00 0.00 N ATOM 143 CA GLY A 139 -7.580 -5.376 7.314 1.00 0.00 C ATOM 144 C GLY A 139 -6.867 -6.668 7.728 1.00 0.00 C ATOM 145 O GLY A 139 -7.287 -7.311 8.688 1.00 0.00 O ATOM 0 H GLY A 139 -6.479 -3.892 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -7.544 -4.674 8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -8.631 -5.600 7.131 1.00 0.00 H new ATOM 149 N ASP A 140 -5.794 -7.062 7.035 1.00 0.00 N ATOM 150 CA ASP A 140 -5.029 -8.257 7.367 1.00 0.00 C ATOM 151 C ASP A 140 -4.184 -8.003 8.618 1.00 0.00 C ATOM 152 O ASP A 140 -4.066 -6.868 9.071 1.00 0.00 O ATOM 153 CB ASP A 140 -4.147 -8.659 6.174 1.00 0.00 C ATOM 154 CG ASP A 140 -4.925 -9.240 4.991 1.00 0.00 C ATOM 155 OD1 ASP A 140 -6.077 -9.674 5.205 1.00 0.00 O ATOM 156 OD2 ASP A 140 -4.340 -9.264 3.885 1.00 0.00 O ATOM 0 H ASP A 140 -5.434 -6.556 6.226 1.00 0.00 H new ATOM 0 HA ASP A 140 -5.712 -9.080 7.579 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.591 -7.785 5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -3.414 -9.393 6.509 1.00 0.00 H new ATOM 161 N ARG A 141 -3.583 -9.054 9.181 1.00 0.00 N ATOM 162 CA ARG A 141 -2.742 -8.919 10.362 1.00 0.00 C ATOM 163 C ARG A 141 -1.532 -8.042 10.032 1.00 0.00 C ATOM 164 O ARG A 141 -0.723 -8.423 9.188 1.00 0.00 O ATOM 165 CB ARG A 141 -2.288 -10.313 10.832 1.00 0.00 C ATOM 166 CG ARG A 141 -1.362 -10.287 12.063 1.00 0.00 C ATOM 167 CD ARG A 141 -2.100 -10.421 13.401 1.00 0.00 C ATOM 168 NE ARG A 141 -3.304 -9.587 13.501 1.00 0.00 N ATOM 169 CZ ARG A 141 -3.339 -8.266 13.719 1.00 0.00 C ATOM 170 NH1 ARG A 141 -2.224 -7.527 13.701 1.00 0.00 N ATOM 171 NH2 ARG A 141 -4.518 -7.684 13.948 1.00 0.00 N ATOM 0 H ARG A 141 -3.667 -10.009 8.833 1.00 0.00 H new ATOM 0 HA ARG A 141 -3.307 -8.446 11.165 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -3.169 -10.912 11.065 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.772 -10.812 10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.637 -11.096 11.977 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -0.799 -9.354 12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -2.379 -11.464 13.548 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.418 -10.156 14.209 1.00 0.00 H new ATOM 0 HE ARG A 141 -4.201 -10.060 13.394 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -1.323 -7.968 13.518 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -2.275 -6.522 13.870 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -5.370 -8.244 13.955 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -4.567 -6.679 14.116 1.00 0.00 H new ATOM 185 N SER A 142 -1.379 -6.890 10.692 1.00 0.00 N ATOM 186 CA SER A 142 -0.213 -6.054 10.446 1.00 0.00 C ATOM 187 C SER A 142 1.044 -6.748 10.959 1.00 0.00 C ATOM 188 O SER A 142 1.038 -7.282 12.067 1.00 0.00 O ATOM 189 CB SER A 142 -0.321 -4.703 11.153 1.00 0.00 C ATOM 190 OG SER A 142 -1.522 -4.060 10.809 1.00 0.00 O ATOM 0 H SER A 142 -2.034 -6.526 11.384 1.00 0.00 H new ATOM 0 HA SER A 142 -0.160 -5.892 9.369 1.00 0.00 H new ATOM 0 HB2 SER A 142 -0.275 -4.847 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.526 -4.074 10.879 1.00 0.00 H new ATOM 0 HG SER A 142 -2.220 -4.304 11.453 1.00 0.00 H new ATOM 196 N SER A 143 2.129 -6.671 10.192 1.00 0.00 N ATOM 197 CA SER A 143 3.435 -7.148 10.602 1.00 0.00 C ATOM 198 C SER A 143 4.118 -6.027 11.389 1.00 0.00 C ATOM 199 O SER A 143 4.903 -6.305 12.292 1.00 0.00 O ATOM 200 CB SER A 143 4.233 -7.597 9.373 1.00 0.00 C ATOM 201 OG SER A 143 3.948 -6.781 8.254 1.00 0.00 O ATOM 0 H SER A 143 2.119 -6.268 9.255 1.00 0.00 H new ATOM 0 HA SER A 143 3.360 -8.021 11.250 1.00 0.00 H new ATOM 0 HB2 SER A 143 5.300 -7.557 9.594 1.00 0.00 H new ATOM 0 HB3 SER A 143 3.995 -8.635 9.140 1.00 0.00 H new ATOM 0 HG SER A 143 4.595 -6.046 8.211 1.00 0.00 H new ATOM 207 N GLY A 144 3.819 -4.760 11.071 1.00 0.00 N ATOM 208 CA GLY A 144 4.385 -3.636 11.794 1.00 0.00 C ATOM 209 C GLY A 144 3.859 -2.303 11.271 1.00 0.00 C ATOM 210 O GLY A 144 3.127 -2.245 10.281 1.00 0.00 O ATOM 0 H GLY A 144 3.186 -4.498 10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 144 4.148 -3.729 12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 144 5.471 -3.658 11.707 1.00 0.00 H new ATOM 214 N LYS A 145 4.249 -1.219 11.947 1.00 0.00 N ATOM 215 CA LYS A 145 3.880 0.144 11.598 1.00 0.00 C ATOM 216 C LYS A 145 4.820 0.623 10.489 1.00 0.00 C ATOM 217 O LYS A 145 5.620 1.541 10.672 1.00 0.00 O ATOM 218 CB LYS A 145 3.912 1.000 12.874 1.00 0.00 C ATOM 219 CG LYS A 145 3.182 2.332 12.684 1.00 0.00 C ATOM 220 CD LYS A 145 3.079 3.075 14.020 1.00 0.00 C ATOM 221 CE LYS A 145 2.194 4.318 13.877 1.00 0.00 C ATOM 222 NZ LYS A 145 1.875 4.891 15.197 1.00 0.00 N ATOM 0 H LYS A 145 4.845 -1.273 12.773 1.00 0.00 H new ATOM 0 HA LYS A 145 2.867 0.221 11.204 1.00 0.00 H new ATOM 0 HB2 LYS A 145 3.453 0.448 13.694 1.00 0.00 H new ATOM 0 HB3 LYS A 145 4.947 1.190 13.158 1.00 0.00 H new ATOM 0 HG2 LYS A 145 3.715 2.946 11.958 1.00 0.00 H new ATOM 0 HG3 LYS A 145 2.185 2.154 12.281 1.00 0.00 H new ATOM 0 HD2 LYS A 145 2.665 2.412 14.780 1.00 0.00 H new ATOM 0 HD3 LYS A 145 4.073 3.366 14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 145 2.703 5.063 13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 145 1.272 4.055 13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 1.407 5.811 15.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 1.241 4.247 15.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 2.752 5.020 15.741 1.00 0.00 H new ATOM 236 N HIS A 146 4.736 -0.025 9.327 1.00 0.00 N ATOM 237 CA HIS A 146 5.644 0.253 8.229 1.00 0.00 C ATOM 238 C HIS A 146 5.285 1.585 7.581 1.00 0.00 C ATOM 239 O HIS A 146 4.115 1.908 7.385 1.00 0.00 O ATOM 240 CB HIS A 146 5.613 -0.888 7.211 1.00 0.00 C ATOM 241 CG HIS A 146 5.722 -2.255 7.842 1.00 0.00 C ATOM 242 ND1 HIS A 146 6.711 -2.671 8.705 1.00 0.00 N ATOM 243 CD2 HIS A 146 4.847 -3.296 7.682 1.00 0.00 C ATOM 244 CE1 HIS A 146 6.449 -3.947 9.034 1.00 0.00 C ATOM 245 NE2 HIS A 146 5.328 -4.374 8.432 1.00 0.00 N ATOM 0 H HIS A 146 4.044 -0.747 9.128 1.00 0.00 H new ATOM 0 HA HIS A 146 6.661 0.326 8.615 1.00 0.00 H new ATOM 0 HB2 HIS A 146 4.686 -0.832 6.641 1.00 0.00 H new ATOM 0 HB3 HIS A 146 6.431 -0.756 6.503 1.00 0.00 H new ATOM 0 HD1 HIS A 146 7.498 -2.113 9.034 1.00 0.00 H new ATOM 0 HD2 HIS A 146 3.948 -3.286 7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 146 7.058 -4.548 9.693 1.00 0.00 H new ATOM 253 N TYR A 147 6.311 2.390 7.299 1.00 0.00 N ATOM 254 CA TYR A 147 6.155 3.722 6.730 1.00 0.00 C ATOM 255 C TYR A 147 5.220 4.577 7.596 1.00 0.00 C ATOM 256 O TYR A 147 4.530 5.457 7.087 1.00 0.00 O ATOM 257 CB TYR A 147 5.679 3.629 5.271 1.00 0.00 C ATOM 258 CG TYR A 147 6.261 2.472 4.479 1.00 0.00 C ATOM 259 CD1 TYR A 147 7.654 2.317 4.359 1.00 0.00 C ATOM 260 CD2 TYR A 147 5.407 1.487 3.953 1.00 0.00 C ATOM 261 CE1 TYR A 147 8.188 1.201 3.693 1.00 0.00 C ATOM 262 CE2 TYR A 147 5.940 0.387 3.265 1.00 0.00 C ATOM 263 CZ TYR A 147 7.329 0.248 3.127 1.00 0.00 C ATOM 264 OH TYR A 147 7.849 -0.820 2.466 1.00 0.00 O ATOM 0 H TYR A 147 7.283 2.129 7.463 1.00 0.00 H new ATOM 0 HA TYR A 147 7.124 4.221 6.723 1.00 0.00 H new ATOM 0 HB2 TYR A 147 4.592 3.544 5.264 1.00 0.00 H new ATOM 0 HB3 TYR A 147 5.930 4.560 4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 147 8.316 3.059 4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 147 4.338 1.577 4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 147 9.258 1.077 3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 147 5.279 -0.355 2.841 1.00 0.00 H new ATOM 0 HH TYR A 147 7.133 -1.291 1.990 1.00 0.00 H new ATOM 274 N GLY A 148 5.195 4.310 8.908 1.00 0.00 N ATOM 275 CA GLY A 148 4.370 5.028 9.863 1.00 0.00 C ATOM 276 C GLY A 148 2.910 4.569 9.895 1.00 0.00 C ATOM 277 O GLY A 148 2.116 5.198 10.590 1.00 0.00 O ATOM 0 H GLY A 148 5.760 3.575 9.334 1.00 0.00 H new ATOM 0 HA2 GLY A 148 4.799 4.911 10.858 1.00 0.00 H new ATOM 0 HA3 GLY A 148 4.400 6.092 9.626 1.00 0.00 H new ATOM 281 N VAL A 149 2.535 3.495 9.183 1.00 0.00 N ATOM 282 CA VAL A 149 1.159 3.008 9.149 1.00 0.00 C ATOM 283 C VAL A 149 1.128 1.493 9.370 1.00 0.00 C ATOM 284 O VAL A 149 1.887 0.745 8.757 1.00 0.00 O ATOM 285 CB VAL A 149 0.501 3.399 7.815 1.00 0.00 C ATOM 286 CG1 VAL A 149 -0.966 2.966 7.770 1.00 0.00 C ATOM 287 CG2 VAL A 149 0.572 4.912 7.552 1.00 0.00 C ATOM 0 H VAL A 149 3.181 2.944 8.617 1.00 0.00 H new ATOM 0 HA VAL A 149 0.590 3.471 9.955 1.00 0.00 H new ATOM 0 HB VAL A 149 1.064 2.879 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -1.402 3.257 6.814 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.030 1.884 7.883 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -1.513 3.448 8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 149 0.094 5.138 6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 149 0.057 5.445 8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.615 5.227 7.519 1.00 0.00 H new ATOM 297 N TYR A 150 0.229 1.029 10.245 1.00 0.00 N ATOM 298 CA TYR A 150 0.041 -0.385 10.540 1.00 0.00 C ATOM 299 C TYR A 150 -0.253 -1.134 9.241 1.00 0.00 C ATOM 300 O TYR A 150 -1.248 -0.843 8.574 1.00 0.00 O ATOM 301 CB TYR A 150 -1.083 -0.536 11.568 1.00 0.00 C ATOM 302 CG TYR A 150 -0.834 0.259 12.836 1.00 0.00 C ATOM 303 CD1 TYR A 150 0.188 -0.131 13.720 1.00 0.00 C ATOM 304 CD2 TYR A 150 -1.556 1.443 13.081 1.00 0.00 C ATOM 305 CE1 TYR A 150 0.482 0.655 14.847 1.00 0.00 C ATOM 306 CE2 TYR A 150 -1.239 2.244 14.191 1.00 0.00 C ATOM 307 CZ TYR A 150 -0.234 1.838 15.085 1.00 0.00 C ATOM 308 OH TYR A 150 0.053 2.597 16.180 1.00 0.00 O ATOM 0 H TYR A 150 -0.395 1.639 10.773 1.00 0.00 H new ATOM 0 HA TYR A 150 0.944 -0.817 10.971 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -2.023 -0.213 11.121 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -1.197 -1.590 11.822 1.00 0.00 H new ATOM 0 HD1 TYR A 150 0.747 -1.036 13.532 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -2.354 1.736 12.415 1.00 0.00 H new ATOM 0 HE1 TYR A 150 1.260 0.348 15.531 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -1.767 3.171 14.357 1.00 0.00 H new ATOM 0 HH TYR A 150 -0.533 3.382 16.196 1.00 0.00 H new ATOM 318 N SER A 151 0.637 -2.048 8.844 1.00 0.00 N ATOM 319 CA SER A 151 0.501 -2.762 7.588 1.00 0.00 C ATOM 320 C SER A 151 1.131 -4.152 7.640 1.00 0.00 C ATOM 321 O SER A 151 1.901 -4.468 8.551 1.00 0.00 O ATOM 322 CB SER A 151 1.044 -1.885 6.457 1.00 0.00 C ATOM 323 OG SER A 151 2.257 -1.262 6.828 1.00 0.00 O ATOM 0 H SER A 151 1.462 -2.307 9.385 1.00 0.00 H new ATOM 0 HA SER A 151 -0.554 -2.952 7.391 1.00 0.00 H new ATOM 0 HB2 SER A 151 1.202 -2.493 5.566 1.00 0.00 H new ATOM 0 HB3 SER A 151 0.307 -1.125 6.197 1.00 0.00 H new ATOM 0 HG SER A 151 2.072 -0.539 7.463 1.00 0.00 H new ATOM 329 N CYS A 152 0.756 -4.987 6.664 1.00 0.00 N ATOM 330 CA CYS A 152 1.197 -6.366 6.513 1.00 0.00 C ATOM 331 C CYS A 152 2.283 -6.456 5.441 1.00 0.00 C ATOM 332 O CYS A 152 2.263 -5.697 4.473 1.00 0.00 O ATOM 333 CB CYS A 152 0.000 -7.270 6.185 1.00 0.00 C ATOM 334 SG CYS A 152 -0.881 -6.962 4.631 1.00 0.00 S ATOM 0 H CYS A 152 0.109 -4.701 5.929 1.00 0.00 H new ATOM 0 HA CYS A 152 1.628 -6.713 7.452 1.00 0.00 H new ATOM 0 HB2 CYS A 152 0.351 -8.302 6.174 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -0.718 -7.186 7.001 1.00 0.00 H new ATOM 0 HG CYS A 152 -1.503 -5.823 4.703 1.00 0.00 H new ATOM 339 N GLU A 153 3.229 -7.381 5.622 1.00 0.00 N ATOM 340 CA GLU A 153 4.374 -7.642 4.755 1.00 0.00 C ATOM 341 C GLU A 153 4.061 -7.531 3.256 1.00 0.00 C ATOM 342 O GLU A 153 4.815 -6.901 2.517 1.00 0.00 O ATOM 343 CB GLU A 153 5.018 -8.991 5.129 1.00 0.00 C ATOM 344 CG GLU A 153 4.188 -10.248 4.807 1.00 0.00 C ATOM 345 CD GLU A 153 2.785 -10.209 5.405 1.00 0.00 C ATOM 346 OE1 GLU A 153 2.690 -10.327 6.644 1.00 0.00 O ATOM 347 OE2 GLU A 153 1.842 -9.992 4.611 1.00 0.00 O ATOM 0 H GLU A 153 3.212 -8.005 6.429 1.00 0.00 H new ATOM 0 HA GLU A 153 5.099 -6.848 4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 153 5.975 -9.070 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 153 5.232 -8.985 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 153 4.112 -10.359 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 153 4.712 -11.128 5.182 1.00 0.00 H new ATOM 354 N GLY A 154 2.958 -8.130 2.799 1.00 0.00 N ATOM 355 CA GLY A 154 2.559 -8.067 1.399 1.00 0.00 C ATOM 356 C GLY A 154 2.422 -6.613 0.952 1.00 0.00 C ATOM 357 O GLY A 154 3.085 -6.175 0.012 1.00 0.00 O ATOM 0 H GLY A 154 2.323 -8.668 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 154 3.297 -8.577 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 154 1.612 -8.588 1.260 1.00 0.00 H new ATOM 361 N CYS A 155 1.589 -5.852 1.671 1.00 0.00 N ATOM 362 CA CYS A 155 1.377 -4.438 1.421 1.00 0.00 C ATOM 363 C CYS A 155 2.692 -3.672 1.564 1.00 0.00 C ATOM 364 O CYS A 155 2.976 -2.789 0.758 1.00 0.00 O ATOM 365 CB CYS A 155 0.306 -3.895 2.368 1.00 0.00 C ATOM 366 SG CYS A 155 -1.376 -4.409 1.940 1.00 0.00 S ATOM 0 H CYS A 155 1.040 -6.214 2.451 1.00 0.00 H new ATOM 0 HA CYS A 155 1.024 -4.302 0.399 1.00 0.00 H new ATOM 0 HB2 CYS A 155 0.530 -4.225 3.382 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.354 -2.806 2.370 1.00 0.00 H new ATOM 0 HG CYS A 155 -2.104 -3.358 1.705 1.00 0.00 H new ATOM 371 N LYS A 156 3.493 -4.012 2.578 1.00 0.00 N ATOM 372 CA LYS A 156 4.783 -3.383 2.813 1.00 0.00 C ATOM 373 C LYS A 156 5.651 -3.456 1.553 1.00 0.00 C ATOM 374 O LYS A 156 6.075 -2.423 1.026 1.00 0.00 O ATOM 375 CB LYS A 156 5.498 -4.026 4.008 1.00 0.00 C ATOM 376 CG LYS A 156 6.766 -3.240 4.355 1.00 0.00 C ATOM 377 CD LYS A 156 7.609 -4.017 5.364 1.00 0.00 C ATOM 378 CE LYS A 156 8.791 -3.180 5.869 1.00 0.00 C ATOM 379 NZ LYS A 156 9.664 -2.730 4.768 1.00 0.00 N ATOM 0 H LYS A 156 3.258 -4.735 3.258 1.00 0.00 H new ATOM 0 HA LYS A 156 4.613 -2.333 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 156 4.830 -4.051 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 156 5.755 -5.059 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 156 7.347 -3.055 3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 156 6.498 -2.267 4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 156 6.986 -4.316 6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 156 7.980 -4.932 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 156 8.415 -2.312 6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 156 9.375 -3.768 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 10.534 -2.317 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 9.908 -3.541 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 9.166 -2.014 4.201 1.00 0.00 H new ATOM 393 N GLY A 157 5.928 -4.682 1.098 1.00 0.00 N ATOM 394 CA GLY A 157 6.758 -4.950 -0.067 1.00 0.00 C ATOM 395 C GLY A 157 6.160 -4.293 -1.304 1.00 0.00 C ATOM 396 O GLY A 157 6.856 -3.592 -2.039 1.00 0.00 O ATOM 0 H GLY A 157 5.572 -5.528 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 157 7.767 -4.573 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 157 6.842 -6.026 -0.223 1.00 0.00 H new ATOM 400 N PHE A 158 4.859 -4.514 -1.512 1.00 0.00 N ATOM 401 CA PHE A 158 4.105 -3.935 -2.613 1.00 0.00 C ATOM 402 C PHE A 158 4.348 -2.423 -2.683 1.00 0.00 C ATOM 403 O PHE A 158 4.764 -1.911 -3.722 1.00 0.00 O ATOM 404 CB PHE A 158 2.617 -4.260 -2.425 1.00 0.00 C ATOM 405 CG PHE A 158 1.679 -3.294 -3.111 1.00 0.00 C ATOM 406 CD1 PHE A 158 1.656 -3.231 -4.515 1.00 0.00 C ATOM 407 CD2 PHE A 158 1.041 -2.293 -2.352 1.00 0.00 C ATOM 408 CE1 PHE A 158 0.981 -2.181 -5.153 1.00 0.00 C ATOM 409 CE2 PHE A 158 0.443 -1.198 -2.994 1.00 0.00 C ATOM 410 CZ PHE A 158 0.406 -1.150 -4.396 1.00 0.00 C ATOM 0 H PHE A 158 4.296 -5.111 -0.906 1.00 0.00 H new ATOM 0 HA PHE A 158 4.437 -4.362 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.426 -5.264 -2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 158 2.391 -4.272 -1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 158 2.156 -3.989 -5.100 1.00 0.00 H new ATOM 0 HD2 PHE A 158 1.012 -2.369 -1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.904 -2.166 -6.230 1.00 0.00 H new ATOM 0 HE2 PHE A 158 0.013 -0.396 -2.412 1.00 0.00 H new ATOM 0 HZ PHE A 158 -0.067 -0.316 -4.894 1.00 0.00 H new ATOM 420 N PHE A 159 4.091 -1.715 -1.580 1.00 0.00 N ATOM 421 CA PHE A 159 4.277 -0.275 -1.504 1.00 0.00 C ATOM 422 C PHE A 159 5.731 0.067 -1.812 1.00 0.00 C ATOM 423 O PHE A 159 5.988 0.949 -2.625 1.00 0.00 O ATOM 424 CB PHE A 159 3.869 0.255 -0.128 1.00 0.00 C ATOM 425 CG PHE A 159 3.972 1.766 0.003 1.00 0.00 C ATOM 426 CD1 PHE A 159 2.959 2.586 -0.531 1.00 0.00 C ATOM 427 CD2 PHE A 159 5.075 2.361 0.645 1.00 0.00 C ATOM 428 CE1 PHE A 159 3.008 3.980 -0.348 1.00 0.00 C ATOM 429 CE2 PHE A 159 5.080 3.742 0.903 1.00 0.00 C ATOM 430 CZ PHE A 159 4.051 4.555 0.400 1.00 0.00 C ATOM 0 H PHE A 159 3.747 -2.132 -0.715 1.00 0.00 H new ATOM 0 HA PHE A 159 3.637 0.206 -2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 159 2.843 -0.049 0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 159 4.498 -0.210 0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 159 2.143 2.143 -1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 159 5.919 1.755 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 159 2.245 4.609 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 159 5.876 4.179 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 159 4.061 5.619 0.587 1.00 0.00 H new ATOM 440 N LYS A 160 6.678 -0.637 -1.182 1.00 0.00 N ATOM 441 CA LYS A 160 8.097 -0.400 -1.402 1.00 0.00 C ATOM 442 C LYS A 160 8.422 -0.422 -2.899 1.00 0.00 C ATOM 443 O LYS A 160 8.908 0.562 -3.451 1.00 0.00 O ATOM 444 CB LYS A 160 8.936 -1.423 -0.611 1.00 0.00 C ATOM 445 CG LYS A 160 10.251 -0.815 -0.112 1.00 0.00 C ATOM 446 CD LYS A 160 10.952 -1.686 0.935 1.00 0.00 C ATOM 447 CE LYS A 160 11.161 -3.126 0.452 1.00 0.00 C ATOM 448 NZ LYS A 160 12.099 -3.856 1.321 1.00 0.00 N ATOM 0 H LYS A 160 6.478 -1.380 -0.512 1.00 0.00 H new ATOM 0 HA LYS A 160 8.355 0.593 -1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 160 8.359 -1.788 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 160 9.151 -2.284 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 160 10.920 -0.665 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 160 10.052 0.168 0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 160 11.918 -1.245 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 160 10.361 -1.695 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 160 10.203 -3.646 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 160 11.542 -3.117 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 12.218 -4.826 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 13.020 -3.372 1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 11.723 -3.886 2.290 1.00 0.00 H new ATOM 462 N ARG A 161 8.140 -1.539 -3.568 1.00 0.00 N ATOM 463 CA ARG A 161 8.409 -1.697 -4.988 1.00 0.00 C ATOM 464 C ARG A 161 7.664 -0.643 -5.811 1.00 0.00 C ATOM 465 O ARG A 161 8.256 -0.004 -6.684 1.00 0.00 O ATOM 466 CB ARG A 161 8.065 -3.132 -5.403 1.00 0.00 C ATOM 467 CG ARG A 161 8.972 -4.163 -4.708 1.00 0.00 C ATOM 468 CD ARG A 161 10.379 -4.216 -5.324 1.00 0.00 C ATOM 469 NE ARG A 161 11.377 -4.706 -4.360 1.00 0.00 N ATOM 470 CZ ARG A 161 11.991 -3.944 -3.442 1.00 0.00 C ATOM 471 NH1 ARG A 161 11.622 -2.671 -3.260 1.00 0.00 N ATOM 472 NH2 ARG A 161 12.980 -4.462 -2.706 1.00 0.00 N ATOM 0 H ARG A 161 7.717 -2.360 -3.135 1.00 0.00 H new ATOM 0 HA ARG A 161 9.468 -1.533 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 161 7.024 -3.341 -5.158 1.00 0.00 H new ATOM 0 HB3 ARG A 161 8.164 -3.231 -6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 161 9.051 -3.918 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 161 8.513 -5.149 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 161 10.369 -4.866 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 161 10.663 -3.222 -5.668 1.00 0.00 H new ATOM 0 HE ARG A 161 11.619 -5.696 -4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 161 10.869 -2.273 -3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 161 12.094 -2.098 -2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 161 13.264 -5.432 -2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 161 13.450 -3.887 -2.007 1.00 0.00 H new ATOM 486 N THR A 162 6.377 -0.445 -5.516 1.00 0.00 N ATOM 487 CA THR A 162 5.552 0.550 -6.183 1.00 0.00 C ATOM 488 C THR A 162 6.225 1.919 -6.142 1.00 0.00 C ATOM 489 O THR A 162 6.357 2.556 -7.182 1.00 0.00 O ATOM 490 CB THR A 162 4.159 0.590 -5.542 1.00 0.00 C ATOM 491 OG1 THR A 162 3.516 -0.640 -5.804 1.00 0.00 O ATOM 492 CG2 THR A 162 3.300 1.747 -6.058 1.00 0.00 C ATOM 0 H THR A 162 5.880 -0.977 -4.802 1.00 0.00 H new ATOM 0 HA THR A 162 5.436 0.273 -7.231 1.00 0.00 H new ATOM 0 HB THR A 162 4.282 0.751 -4.471 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.813 -1.309 -5.153 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.326 1.724 -5.569 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.794 2.693 -5.838 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.167 1.649 -7.135 1.00 0.00 H new ATOM 500 N VAL A 163 6.636 2.367 -4.954 1.00 0.00 N ATOM 501 CA VAL A 163 7.279 3.654 -4.743 1.00 0.00 C ATOM 502 C VAL A 163 8.627 3.705 -5.455 1.00 0.00 C ATOM 503 O VAL A 163 8.870 4.648 -6.204 1.00 0.00 O ATOM 504 CB VAL A 163 7.425 3.917 -3.236 1.00 0.00 C ATOM 505 CG1 VAL A 163 8.424 5.048 -2.935 1.00 0.00 C ATOM 506 CG2 VAL A 163 6.063 4.249 -2.619 1.00 0.00 C ATOM 0 H VAL A 163 6.526 1.828 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 163 6.658 4.442 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 163 7.817 3.004 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 163 8.492 5.196 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 163 9.405 4.781 -3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 163 8.083 5.970 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 163 6.182 4.433 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 163 5.654 5.139 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 163 5.382 3.411 -2.769 1.00 0.00 H new ATOM 516 N ARG A 164 9.500 2.717 -5.221 1.00 0.00 N ATOM 517 CA ARG A 164 10.839 2.666 -5.808 1.00 0.00 C ATOM 518 C ARG A 164 10.839 3.064 -7.287 1.00 0.00 C ATOM 519 O ARG A 164 11.652 3.880 -7.724 1.00 0.00 O ATOM 520 CB ARG A 164 11.461 1.272 -5.638 1.00 0.00 C ATOM 521 CG ARG A 164 11.969 0.987 -4.217 1.00 0.00 C ATOM 522 CD ARG A 164 13.242 1.754 -3.836 1.00 0.00 C ATOM 523 NE ARG A 164 14.336 1.521 -4.789 1.00 0.00 N ATOM 524 CZ ARG A 164 15.064 0.400 -4.890 1.00 0.00 C ATOM 525 NH1 ARG A 164 14.852 -0.631 -4.066 1.00 0.00 N ATOM 526 NH2 ARG A 164 16.010 0.313 -5.829 1.00 0.00 N ATOM 0 H ARG A 164 9.292 1.925 -4.613 1.00 0.00 H new ATOM 0 HA ARG A 164 11.445 3.394 -5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 164 10.720 0.519 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 164 12.290 1.167 -6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 164 11.182 1.236 -3.505 1.00 0.00 H new ATOM 0 HG3 ARG A 164 12.160 -0.082 -4.119 1.00 0.00 H new ATOM 0 HD2 ARG A 164 13.022 2.821 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 164 13.561 1.453 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 164 14.562 2.281 -5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 164 14.129 -0.571 -3.349 1.00 0.00 H new ATOM 0 HH12 ARG A 164 15.413 -1.478 -4.154 1.00 0.00 H new ATOM 0 HH21 ARG A 164 16.174 1.096 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 164 16.569 -0.536 -5.913 1.00 0.00 H new ATOM 540 N LYS A 165 9.922 2.465 -8.044 1.00 0.00 N ATOM 541 CA LYS A 165 9.754 2.675 -9.478 1.00 0.00 C ATOM 542 C LYS A 165 8.580 3.615 -9.818 1.00 0.00 C ATOM 543 O LYS A 165 8.288 3.823 -10.993 1.00 0.00 O ATOM 544 CB LYS A 165 9.518 1.292 -10.072 1.00 0.00 C ATOM 545 CG LYS A 165 10.784 0.431 -10.089 1.00 0.00 C ATOM 546 CD LYS A 165 10.993 -0.029 -11.533 1.00 0.00 C ATOM 547 CE LYS A 165 12.226 -0.927 -11.690 1.00 0.00 C ATOM 548 NZ LYS A 165 12.087 -2.190 -10.944 1.00 0.00 N ATOM 0 H LYS A 165 9.253 1.797 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 165 10.638 3.163 -9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 165 8.745 0.782 -9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 165 9.142 1.398 -11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 165 11.643 1.002 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 165 10.677 -0.425 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 165 10.109 -0.569 -11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 165 11.099 0.844 -12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 165 12.384 -1.145 -12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 165 13.110 -0.394 -11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 12.876 -2.823 -11.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 12.098 -1.993 -9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 11.188 -2.646 -11.199 1.00 0.00 H new ATOM 562 N ASP A 166 7.893 4.152 -8.806 1.00 0.00 N ATOM 563 CA ASP A 166 6.703 4.996 -8.903 1.00 0.00 C ATOM 564 C ASP A 166 5.691 4.468 -9.924 1.00 0.00 C ATOM 565 O ASP A 166 5.295 5.169 -10.859 1.00 0.00 O ATOM 566 CB ASP A 166 7.065 6.469 -9.118 1.00 0.00 C ATOM 567 CG ASP A 166 5.843 7.385 -9.007 1.00 0.00 C ATOM 568 OD1 ASP A 166 4.882 6.996 -8.303 1.00 0.00 O ATOM 569 OD2 ASP A 166 5.902 8.476 -9.612 1.00 0.00 O ATOM 0 H ASP A 166 8.172 3.998 -7.837 1.00 0.00 H new ATOM 0 HA ASP A 166 6.196 4.945 -7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 166 7.811 6.770 -8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 166 7.520 6.590 -10.101 1.00 0.00 H new ATOM 574 N LEU A 167 5.259 3.216 -9.736 1.00 0.00 N ATOM 575 CA LEU A 167 4.298 2.580 -10.618 1.00 0.00 C ATOM 576 C LEU A 167 2.992 3.369 -10.654 1.00 0.00 C ATOM 577 O LEU A 167 2.158 3.294 -9.750 1.00 0.00 O ATOM 578 CB LEU A 167 4.047 1.137 -10.192 1.00 0.00 C ATOM 579 CG LEU A 167 5.062 0.134 -10.746 1.00 0.00 C ATOM 580 CD1 LEU A 167 4.749 -0.219 -12.205 1.00 0.00 C ATOM 581 CD2 LEU A 167 6.507 0.603 -10.619 1.00 0.00 C ATOM 0 H LEU A 167 5.571 2.623 -8.967 1.00 0.00 H new ATOM 0 HA LEU A 167 4.715 2.569 -11.625 1.00 0.00 H new ATOM 0 HB2 LEU A 167 4.058 1.084 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 167 3.049 0.843 -10.515 1.00 0.00 H new ATOM 0 HG LEU A 167 4.964 -0.759 -10.129 1.00 0.00 H new ATOM 0 HD11 LEU A 167 5.486 -0.933 -12.573 1.00 0.00 H new ATOM 0 HD12 LEU A 167 3.754 -0.660 -12.267 1.00 0.00 H new ATOM 0 HD13 LEU A 167 4.784 0.685 -12.814 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.173 -0.155 -11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 167 6.636 1.536 -11.167 1.00 0.00 H new ATOM 0 HD23 LEU A 167 6.746 0.764 -9.568 1.00 0.00 H new ATOM 593 N THR A 168 2.821 4.116 -11.738 1.00 0.00 N ATOM 594 CA THR A 168 1.655 4.936 -11.984 1.00 0.00 C ATOM 595 C THR A 168 0.545 4.017 -12.499 1.00 0.00 C ATOM 596 O THR A 168 0.246 3.985 -13.690 1.00 0.00 O ATOM 597 CB THR A 168 2.067 6.059 -12.946 1.00 0.00 C ATOM 598 OG1 THR A 168 3.181 6.749 -12.398 1.00 0.00 O ATOM 599 CG2 THR A 168 0.943 7.076 -13.160 1.00 0.00 C ATOM 0 H THR A 168 3.512 4.165 -12.487 1.00 0.00 H new ATOM 0 HA THR A 168 1.263 5.426 -11.093 1.00 0.00 H new ATOM 0 HB THR A 168 2.307 5.599 -13.905 1.00 0.00 H new ATOM 0 HG1 THR A 168 3.453 7.467 -13.007 1.00 0.00 H new ATOM 0 HG21 THR A 168 1.280 7.852 -13.848 1.00 0.00 H new ATOM 0 HG22 THR A 168 0.072 6.573 -13.580 1.00 0.00 H new ATOM 0 HG23 THR A 168 0.675 7.529 -12.205 1.00 0.00 H new ATOM 607 N TYR A 169 -0.034 3.231 -11.587 1.00 0.00 N ATOM 608 CA TYR A 169 -1.074 2.266 -11.916 1.00 0.00 C ATOM 609 C TYR A 169 -2.414 2.972 -12.152 1.00 0.00 C ATOM 610 O TYR A 169 -2.568 4.161 -11.874 1.00 0.00 O ATOM 611 CB TYR A 169 -1.268 1.306 -10.737 1.00 0.00 C ATOM 612 CG TYR A 169 -0.044 0.637 -10.153 1.00 0.00 C ATOM 613 CD1 TYR A 169 0.563 -0.433 -10.833 1.00 0.00 C ATOM 614 CD2 TYR A 169 0.299 0.895 -8.812 1.00 0.00 C ATOM 615 CE1 TYR A 169 1.512 -1.236 -10.176 1.00 0.00 C ATOM 616 CE2 TYR A 169 1.219 0.070 -8.151 1.00 0.00 C ATOM 617 CZ TYR A 169 1.851 -0.975 -8.839 1.00 0.00 C ATOM 618 OH TYR A 169 2.685 -1.819 -8.166 1.00 0.00 O ATOM 0 H TYR A 169 0.210 3.250 -10.597 1.00 0.00 H new ATOM 0 HA TYR A 169 -0.767 1.734 -12.817 1.00 0.00 H new ATOM 0 HB2 TYR A 169 -1.761 1.857 -9.936 1.00 0.00 H new ATOM 0 HB3 TYR A 169 -1.956 0.523 -11.055 1.00 0.00 H new ATOM 0 HD1 TYR A 169 0.300 -0.638 -11.860 1.00 0.00 H new ATOM 0 HD2 TYR A 169 -0.147 1.730 -8.292 1.00 0.00 H new ATOM 0 HE1 TYR A 169 1.981 -2.055 -10.701 1.00 0.00 H new ATOM 0 HE2 TYR A 169 1.442 0.240 -7.108 1.00 0.00 H new ATOM 0 HH TYR A 169 2.931 -1.419 -7.306 1.00 0.00 H new ATOM 628 N THR A 170 -3.414 2.224 -12.629 1.00 0.00 N ATOM 629 CA THR A 170 -4.771 2.708 -12.841 1.00 0.00 C ATOM 630 C THR A 170 -5.708 1.497 -12.814 1.00 0.00 C ATOM 631 O THR A 170 -5.478 0.535 -13.546 1.00 0.00 O ATOM 632 CB THR A 170 -4.872 3.468 -14.175 1.00 0.00 C ATOM 633 OG1 THR A 170 -3.922 4.512 -14.242 1.00 0.00 O ATOM 634 CG2 THR A 170 -6.259 4.090 -14.363 1.00 0.00 C ATOM 0 H THR A 170 -3.294 1.243 -12.883 1.00 0.00 H new ATOM 0 HA THR A 170 -5.055 3.409 -12.056 1.00 0.00 H new ATOM 0 HB THR A 170 -4.683 2.735 -14.960 1.00 0.00 H new ATOM 0 HG1 THR A 170 -4.007 4.977 -15.100 1.00 0.00 H new ATOM 0 HG21 THR A 170 -6.295 4.619 -15.315 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.014 3.304 -14.356 1.00 0.00 H new ATOM 0 HG23 THR A 170 -6.457 4.790 -13.552 1.00 0.00 H new ATOM 642 N CYS A 171 -6.758 1.547 -11.990 1.00 0.00 N ATOM 643 CA CYS A 171 -7.788 0.515 -11.887 1.00 0.00 C ATOM 644 C CYS A 171 -8.997 0.977 -12.706 1.00 0.00 C ATOM 645 O CYS A 171 -9.072 2.139 -13.103 1.00 0.00 O ATOM 646 CB CYS A 171 -8.118 0.293 -10.402 1.00 0.00 C ATOM 647 SG CYS A 171 -9.408 -0.895 -9.942 1.00 0.00 S ATOM 0 H CYS A 171 -6.918 2.331 -11.358 1.00 0.00 H new ATOM 0 HA CYS A 171 -7.456 -0.443 -12.287 1.00 0.00 H new ATOM 0 HB2 CYS A 171 -7.198 -0.015 -9.906 1.00 0.00 H new ATOM 0 HB3 CYS A 171 -8.399 1.259 -9.982 1.00 0.00 H new ATOM 0 HG CYS A 171 -8.997 -1.616 -8.941 1.00 0.00 H new ATOM 652 N ARG A 172 -9.937 0.069 -12.979 1.00 0.00 N ATOM 653 CA ARG A 172 -11.127 0.361 -13.775 1.00 0.00 C ATOM 654 C ARG A 172 -12.010 1.427 -13.115 1.00 0.00 C ATOM 655 O ARG A 172 -12.785 2.093 -13.796 1.00 0.00 O ATOM 656 CB ARG A 172 -11.914 -0.929 -14.050 1.00 0.00 C ATOM 657 CG ARG A 172 -11.090 -2.120 -14.578 1.00 0.00 C ATOM 658 CD ARG A 172 -10.457 -1.920 -15.966 1.00 0.00 C ATOM 659 NE ARG A 172 -9.421 -0.878 -15.994 1.00 0.00 N ATOM 660 CZ ARG A 172 -8.214 -0.939 -15.412 1.00 0.00 C ATOM 661 NH1 ARG A 172 -7.798 -2.057 -14.808 1.00 0.00 N ATOM 662 NH2 ARG A 172 -7.428 0.140 -15.422 1.00 0.00 N ATOM 0 H ARG A 172 -9.892 -0.896 -12.651 1.00 0.00 H new ATOM 0 HA ARG A 172 -10.799 0.774 -14.729 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -12.408 -1.234 -13.127 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -12.699 -0.706 -14.773 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -10.296 -2.336 -13.863 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -11.734 -2.998 -14.614 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -10.022 -2.863 -16.297 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -11.240 -1.662 -16.680 1.00 0.00 H new ATOM 0 HE ARG A 172 -9.642 -0.024 -16.507 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -8.401 -2.879 -14.785 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -6.877 -2.088 -14.370 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -7.747 0.999 -15.869 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -6.508 0.105 -14.982 1.00 0.00 H new ATOM 676 N ASP A 173 -11.869 1.605 -11.798 1.00 0.00 N ATOM 677 CA ASP A 173 -12.547 2.613 -11.001 1.00 0.00 C ATOM 678 C ASP A 173 -11.488 3.202 -10.074 1.00 0.00 C ATOM 679 O ASP A 173 -10.424 2.607 -9.906 1.00 0.00 O ATOM 680 CB ASP A 173 -13.692 1.988 -10.202 1.00 0.00 C ATOM 681 CG ASP A 173 -14.794 1.442 -11.104 1.00 0.00 C ATOM 682 OD1 ASP A 173 -15.702 2.235 -11.434 1.00 0.00 O ATOM 683 OD2 ASP A 173 -14.706 0.242 -11.444 1.00 0.00 O ATOM 0 H ASP A 173 -11.248 1.019 -11.239 1.00 0.00 H new ATOM 0 HA ASP A 173 -12.992 3.386 -11.628 1.00 0.00 H new ATOM 0 HB2 ASP A 173 -13.301 1.182 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 173 -14.113 2.735 -9.529 1.00 0.00 H new ATOM 688 N ASN A 174 -11.765 4.358 -9.469 1.00 0.00 N ATOM 689 CA ASN A 174 -10.818 5.004 -8.569 1.00 0.00 C ATOM 690 C ASN A 174 -10.866 4.332 -7.188 1.00 0.00 C ATOM 691 O ASN A 174 -11.380 3.222 -7.045 1.00 0.00 O ATOM 692 CB ASN A 174 -11.079 6.520 -8.532 1.00 0.00 C ATOM 693 CG ASN A 174 -10.673 7.181 -9.846 1.00 0.00 C ATOM 694 OD1 ASN A 174 -11.523 7.621 -10.610 1.00 0.00 O ATOM 695 ND2 ASN A 174 -9.372 7.263 -10.119 1.00 0.00 N ATOM 0 H ASN A 174 -12.642 4.865 -9.589 1.00 0.00 H new ATOM 0 HA ASN A 174 -9.799 4.879 -8.935 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -12.136 6.705 -8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -10.522 6.968 -7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -9.059 7.702 -10.985 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -8.688 6.887 -9.462 1.00 0.00 H new ATOM 702 N LYS A 175 -10.352 5.002 -6.149 1.00 0.00 N ATOM 703 CA LYS A 175 -10.302 4.518 -4.769 1.00 0.00 C ATOM 704 C LYS A 175 -11.649 4.087 -4.159 1.00 0.00 C ATOM 705 O LYS A 175 -11.677 3.606 -3.030 1.00 0.00 O ATOM 706 CB LYS A 175 -9.556 5.533 -3.887 1.00 0.00 C ATOM 707 CG LYS A 175 -10.353 6.784 -3.481 1.00 0.00 C ATOM 708 CD LYS A 175 -10.768 7.671 -4.663 1.00 0.00 C ATOM 709 CE LYS A 175 -11.376 8.981 -4.152 1.00 0.00 C ATOM 710 NZ LYS A 175 -11.784 9.854 -5.268 1.00 0.00 N ATOM 0 H LYS A 175 -9.945 5.931 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 175 -9.744 3.582 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 175 -9.228 5.025 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 175 -8.658 5.854 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 175 -11.248 6.473 -2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 175 -9.753 7.376 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 175 -9.902 7.883 -5.290 1.00 0.00 H new ATOM 0 HD3 LYS A 175 -11.491 7.145 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 175 -12.240 8.763 -3.524 1.00 0.00 H new ATOM 0 HE3 LYS A 175 -10.651 9.502 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 175 -12.192 10.733 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 175 -10.954 10.081 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 175 -12.494 9.365 -5.850 1.00 0.00 H new ATOM 724 N ASP A 176 -12.754 4.193 -4.905 1.00 0.00 N ATOM 725 CA ASP A 176 -14.062 3.705 -4.491 1.00 0.00 C ATOM 726 C ASP A 176 -14.061 2.174 -4.599 1.00 0.00 C ATOM 727 O ASP A 176 -14.811 1.504 -3.894 1.00 0.00 O ATOM 728 CB ASP A 176 -15.150 4.314 -5.385 1.00 0.00 C ATOM 729 CG ASP A 176 -14.940 3.968 -6.856 1.00 0.00 C ATOM 730 OD1 ASP A 176 -14.079 4.636 -7.471 1.00 0.00 O ATOM 731 OD2 ASP A 176 -15.620 3.033 -7.329 1.00 0.00 O ATOM 0 H ASP A 176 -12.758 4.628 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 176 -14.270 3.997 -3.462 1.00 0.00 H new ATOM 0 HB2 ASP A 176 -16.127 3.954 -5.064 1.00 0.00 H new ATOM 0 HB3 ASP A 176 -15.154 5.397 -5.264 1.00 0.00 H new ATOM 736 N CYS A 177 -13.180 1.610 -5.434 1.00 0.00 N ATOM 737 CA CYS A 177 -12.974 0.172 -5.517 1.00 0.00 C ATOM 738 C CYS A 177 -12.177 -0.222 -4.266 1.00 0.00 C ATOM 739 O CYS A 177 -10.952 -0.334 -4.290 1.00 0.00 O ATOM 740 CB CYS A 177 -12.254 -0.151 -6.829 1.00 0.00 C ATOM 741 SG CYS A 177 -11.576 -1.823 -6.986 1.00 0.00 S ATOM 0 H CYS A 177 -12.591 2.147 -6.071 1.00 0.00 H new ATOM 0 HA CYS A 177 -13.903 -0.398 -5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 177 -12.951 0.013 -7.651 1.00 0.00 H new ATOM 0 HB3 CYS A 177 -11.439 0.561 -6.956 1.00 0.00 H new ATOM 0 HG CYS A 177 -10.721 -1.854 -7.964 1.00 0.00 H new ATOM 746 N LEU A 178 -12.895 -0.352 -3.150 1.00 0.00 N ATOM 747 CA LEU A 178 -12.341 -0.626 -1.836 1.00 0.00 C ATOM 748 C LEU A 178 -11.456 -1.875 -1.788 1.00 0.00 C ATOM 749 O LEU A 178 -11.574 -2.798 -2.597 1.00 0.00 O ATOM 750 CB LEU A 178 -13.471 -0.760 -0.804 1.00 0.00 C ATOM 751 CG LEU A 178 -14.369 0.477 -0.635 1.00 0.00 C ATOM 752 CD1 LEU A 178 -15.372 0.210 0.493 1.00 0.00 C ATOM 753 CD2 LEU A 178 -13.569 1.745 -0.312 1.00 0.00 C ATOM 0 H LEU A 178 -13.911 -0.266 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 178 -11.700 0.223 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -14.098 -1.606 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -13.029 -1.000 0.163 1.00 0.00 H new ATOM 0 HG LEU A 178 -14.880 0.649 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -16.015 1.081 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -15.982 -0.657 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -14.833 0.016 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -14.251 2.588 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -13.019 1.601 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -12.867 1.949 -1.121 1.00 0.00 H new ATOM 765 N ILE A 179 -10.598 -1.895 -0.767 1.00 0.00 N ATOM 766 CA ILE A 179 -9.698 -2.976 -0.421 1.00 0.00 C ATOM 767 C ILE A 179 -10.091 -3.408 0.992 1.00 0.00 C ATOM 768 O ILE A 179 -10.187 -2.568 1.884 1.00 0.00 O ATOM 769 CB ILE A 179 -8.237 -2.503 -0.477 1.00 0.00 C ATOM 770 CG1 ILE A 179 -7.833 -1.881 -1.824 1.00 0.00 C ATOM 771 CG2 ILE A 179 -7.304 -3.667 -0.125 1.00 0.00 C ATOM 772 CD1 ILE A 179 -7.884 -2.866 -2.992 1.00 0.00 C ATOM 0 H ILE A 179 -10.514 -1.106 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 179 -9.776 -3.808 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 179 -8.141 -1.704 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -8.493 -1.041 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -6.823 -1.480 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -6.269 -3.329 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -7.530 -4.023 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -7.449 -4.478 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -7.587 -2.358 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 179 -7.203 -3.695 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -8.899 -3.248 -3.101 1.00 0.00 H new ATOM 784 N ASP A 180 -10.331 -4.704 1.186 1.00 0.00 N ATOM 785 CA ASP A 180 -10.713 -5.332 2.442 1.00 0.00 C ATOM 786 C ASP A 180 -10.113 -6.741 2.421 1.00 0.00 C ATOM 787 O ASP A 180 -9.420 -7.090 1.469 1.00 0.00 O ATOM 788 CB ASP A 180 -12.246 -5.385 2.552 1.00 0.00 C ATOM 789 CG ASP A 180 -12.877 -3.995 2.591 1.00 0.00 C ATOM 790 OD1 ASP A 180 -12.973 -3.448 3.710 1.00 0.00 O ATOM 791 OD2 ASP A 180 -13.262 -3.513 1.502 1.00 0.00 O ATOM 0 H ASP A 180 -10.259 -5.379 0.425 1.00 0.00 H new ATOM 0 HA ASP A 180 -10.347 -4.773 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 180 -12.649 -5.940 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 180 -12.524 -5.932 3.453 1.00 0.00 H new ATOM 921 N CYS A 187 -5.140 -5.693 -6.660 1.00 0.00 N ATOM 922 CA CYS A 187 -5.642 -4.364 -6.987 1.00 0.00 C ATOM 923 C CYS A 187 -4.634 -3.285 -6.558 1.00 0.00 C ATOM 924 O CYS A 187 -4.895 -2.439 -5.699 1.00 0.00 O ATOM 925 CB CYS A 187 -7.036 -4.211 -6.378 1.00 0.00 C ATOM 926 SG CYS A 187 -7.983 -2.831 -7.052 1.00 0.00 S ATOM 0 HA CYS A 187 -5.747 -4.233 -8.064 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -7.594 -5.134 -6.537 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -6.938 -4.079 -5.300 1.00 0.00 H new ATOM 0 HG CYS A 187 -9.235 -2.966 -6.730 1.00 0.00 H new ATOM 931 N GLN A 188 -3.456 -3.357 -7.178 1.00 0.00 N ATOM 932 CA GLN A 188 -2.291 -2.519 -6.940 1.00 0.00 C ATOM 933 C GLN A 188 -2.623 -1.023 -6.863 1.00 0.00 C ATOM 934 O GLN A 188 -2.279 -0.371 -5.880 1.00 0.00 O ATOM 935 CB GLN A 188 -1.241 -2.843 -8.015 1.00 0.00 C ATOM 936 CG GLN A 188 -0.634 -4.236 -7.771 1.00 0.00 C ATOM 937 CD GLN A 188 0.236 -4.720 -8.927 1.00 0.00 C ATOM 938 OE1 GLN A 188 -0.181 -5.573 -9.702 1.00 0.00 O ATOM 939 NE2 GLN A 188 1.450 -4.197 -9.070 1.00 0.00 N ATOM 0 H GLN A 188 -3.284 -4.049 -7.907 1.00 0.00 H new ATOM 0 HA GLN A 188 -1.886 -2.747 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 188 -1.700 -2.808 -9.003 1.00 0.00 H new ATOM 0 HB3 GLN A 188 -0.454 -2.089 -8.002 1.00 0.00 H new ATOM 0 HG2 GLN A 188 -0.036 -4.211 -6.860 1.00 0.00 H new ATOM 0 HG3 GLN A 188 -1.439 -4.952 -7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 188 1.780 -3.488 -8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 188 2.051 -4.505 -9.834 1.00 0.00 H new ATOM 948 N TYR A 189 -3.288 -0.461 -7.880 1.00 0.00 N ATOM 949 CA TYR A 189 -3.632 0.960 -7.883 1.00 0.00 C ATOM 950 C TYR A 189 -4.361 1.365 -6.602 1.00 0.00 C ATOM 951 O TYR A 189 -3.892 2.233 -5.873 1.00 0.00 O ATOM 952 CB TYR A 189 -4.482 1.305 -9.112 1.00 0.00 C ATOM 953 CG TYR A 189 -5.177 2.656 -9.038 1.00 0.00 C ATOM 954 CD1 TYR A 189 -4.469 3.860 -9.209 1.00 0.00 C ATOM 955 CD2 TYR A 189 -6.516 2.704 -8.625 1.00 0.00 C ATOM 956 CE1 TYR A 189 -5.146 5.094 -9.113 1.00 0.00 C ATOM 957 CE2 TYR A 189 -7.174 3.930 -8.475 1.00 0.00 C ATOM 958 CZ TYR A 189 -6.513 5.127 -8.781 1.00 0.00 C ATOM 959 OH TYR A 189 -7.155 6.311 -8.557 1.00 0.00 O ATOM 0 H TYR A 189 -3.597 -0.970 -8.708 1.00 0.00 H new ATOM 0 HA TYR A 189 -2.700 1.524 -7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 189 -3.845 1.286 -9.996 1.00 0.00 H new ATOM 0 HB3 TYR A 189 -5.236 0.529 -9.246 1.00 0.00 H new ATOM 0 HD1 TYR A 189 -3.409 3.839 -9.413 1.00 0.00 H new ATOM 0 HD2 TYR A 189 -7.045 1.785 -8.420 1.00 0.00 H new ATOM 0 HE1 TYR A 189 -4.614 6.016 -9.295 1.00 0.00 H new ATOM 0 HE2 TYR A 189 -8.195 3.954 -8.122 1.00 0.00 H new ATOM 0 HH TYR A 189 -6.719 6.785 -7.818 1.00 0.00 H new ATOM 969 N CYS A 190 -5.517 0.757 -6.331 1.00 0.00 N ATOM 970 CA CYS A 190 -6.317 1.098 -5.167 1.00 0.00 C ATOM 971 C CYS A 190 -5.494 0.929 -3.888 1.00 0.00 C ATOM 972 O CYS A 190 -5.576 1.776 -2.999 1.00 0.00 O ATOM 973 CB CYS A 190 -7.602 0.275 -5.183 1.00 0.00 C ATOM 974 SG CYS A 190 -8.753 0.689 -6.524 1.00 0.00 S ATOM 0 H CYS A 190 -5.918 0.020 -6.911 1.00 0.00 H new ATOM 0 HA CYS A 190 -6.609 2.148 -5.196 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -7.340 -0.780 -5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -8.114 0.407 -4.230 1.00 0.00 H new ATOM 0 HG CYS A 190 -9.598 -0.285 -6.686 1.00 0.00 H new ATOM 979 N ARG A 191 -4.658 -0.114 -3.799 1.00 0.00 N ATOM 980 CA ARG A 191 -3.775 -0.246 -2.645 1.00 0.00 C ATOM 981 C ARG A 191 -2.848 0.970 -2.536 1.00 0.00 C ATOM 982 O ARG A 191 -2.697 1.526 -1.450 1.00 0.00 O ATOM 983 CB ARG A 191 -2.939 -1.524 -2.709 1.00 0.00 C ATOM 984 CG ARG A 191 -3.752 -2.759 -2.333 1.00 0.00 C ATOM 985 CD ARG A 191 -2.820 -3.977 -2.294 1.00 0.00 C ATOM 986 NE ARG A 191 -3.133 -4.888 -1.184 1.00 0.00 N ATOM 987 CZ ARG A 191 -4.263 -5.596 -1.064 1.00 0.00 C ATOM 988 NH1 ARG A 191 -5.239 -5.468 -1.960 1.00 0.00 N ATOM 989 NH2 ARG A 191 -4.426 -6.465 -0.064 1.00 0.00 N ATOM 0 H ARG A 191 -4.578 -0.857 -4.494 1.00 0.00 H new ATOM 0 HA ARG A 191 -4.410 -0.301 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -2.540 -1.646 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -2.086 -1.433 -2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -4.226 -2.616 -1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -4.551 -2.919 -3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -2.895 -4.519 -3.237 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -1.788 -3.638 -2.202 1.00 0.00 H new ATOM 0 HE ARG A 191 -2.435 -4.989 -0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -5.129 -4.827 -2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -6.097 -6.011 -1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -3.684 -6.597 0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -5.293 -6.997 0.013 1.00 0.00 H new ATOM 1003 N TYR A 192 -2.228 1.390 -3.646 1.00 0.00 N ATOM 1004 CA TYR A 192 -1.345 2.553 -3.661 1.00 0.00 C ATOM 1005 C TYR A 192 -2.124 3.782 -3.184 1.00 0.00 C ATOM 1006 O TYR A 192 -1.672 4.495 -2.290 1.00 0.00 O ATOM 1007 CB TYR A 192 -0.738 2.749 -5.064 1.00 0.00 C ATOM 1008 CG TYR A 192 0.360 3.791 -5.228 1.00 0.00 C ATOM 1009 CD1 TYR A 192 1.368 3.960 -4.255 1.00 0.00 C ATOM 1010 CD2 TYR A 192 0.497 4.433 -6.476 1.00 0.00 C ATOM 1011 CE1 TYR A 192 2.454 4.819 -4.504 1.00 0.00 C ATOM 1012 CE2 TYR A 192 1.620 5.234 -6.748 1.00 0.00 C ATOM 1013 CZ TYR A 192 2.600 5.429 -5.762 1.00 0.00 C ATOM 1014 OH TYR A 192 3.692 6.209 -6.015 1.00 0.00 O ATOM 0 H TYR A 192 -2.326 0.933 -4.552 1.00 0.00 H new ATOM 0 HA TYR A 192 -0.510 2.398 -2.978 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -0.339 1.789 -5.393 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -1.548 3.008 -5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 192 1.306 3.429 -3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -0.267 4.308 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 192 3.178 5.010 -3.726 1.00 0.00 H new ATOM 0 HE2 TYR A 192 1.729 5.700 -7.716 1.00 0.00 H new ATOM 0 HH TYR A 192 3.838 6.263 -6.983 1.00 0.00 H new ATOM 1024 N GLN A 193 -3.318 4.012 -3.746 1.00 0.00 N ATOM 1025 CA GLN A 193 -4.175 5.108 -3.329 1.00 0.00 C ATOM 1026 C GLN A 193 -4.431 5.056 -1.822 1.00 0.00 C ATOM 1027 O GLN A 193 -4.250 6.064 -1.147 1.00 0.00 O ATOM 1028 CB GLN A 193 -5.497 5.076 -4.107 1.00 0.00 C ATOM 1029 CG GLN A 193 -5.390 5.216 -5.631 1.00 0.00 C ATOM 1030 CD GLN A 193 -4.813 6.542 -6.115 1.00 0.00 C ATOM 1031 OE1 GLN A 193 -5.535 7.373 -6.659 1.00 0.00 O ATOM 1032 NE2 GLN A 193 -3.505 6.733 -5.980 1.00 0.00 N ATOM 0 H GLN A 193 -3.707 3.442 -4.497 1.00 0.00 H new ATOM 0 HA GLN A 193 -3.666 6.046 -3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -6.003 4.137 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -6.134 5.878 -3.733 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -4.769 4.405 -6.013 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -6.382 5.089 -6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -2.931 6.024 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -3.075 7.588 -6.333 1.00 0.00 H new ATOM 1041 N LYS A 194 -4.835 3.904 -1.278 1.00 0.00 N ATOM 1042 CA LYS A 194 -5.072 3.774 0.155 1.00 0.00 C ATOM 1043 C LYS A 194 -3.806 4.092 0.954 1.00 0.00 C ATOM 1044 O LYS A 194 -3.847 4.871 1.907 1.00 0.00 O ATOM 1045 CB LYS A 194 -5.594 2.372 0.490 1.00 0.00 C ATOM 1046 CG LYS A 194 -7.082 2.223 0.141 1.00 0.00 C ATOM 1047 CD LYS A 194 -7.743 1.243 1.116 1.00 0.00 C ATOM 1048 CE LYS A 194 -9.244 1.122 0.837 1.00 0.00 C ATOM 1049 NZ LYS A 194 -9.907 0.267 1.839 1.00 0.00 N ATOM 0 H LYS A 194 -5.003 3.051 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.834 4.499 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -5.015 1.628 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -5.447 2.173 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -7.577 3.193 0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -7.192 1.863 -0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -7.273 0.264 1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -7.586 1.581 2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -9.698 2.113 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -9.399 0.706 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -10.930 0.452 1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -9.735 -0.733 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -9.524 0.478 2.783 1.00 0.00 H new ATOM 1063 N ALA A 195 -2.677 3.498 0.569 1.00 0.00 N ATOM 1064 CA ALA A 195 -1.403 3.730 1.231 1.00 0.00 C ATOM 1065 C ALA A 195 -1.111 5.230 1.307 1.00 0.00 C ATOM 1066 O ALA A 195 -0.744 5.753 2.360 1.00 0.00 O ATOM 1067 CB ALA A 195 -0.299 2.991 0.476 1.00 0.00 C ATOM 0 H ALA A 195 -2.625 2.843 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 195 -1.445 3.348 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.657 3.163 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 195 -0.516 1.923 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 195 -0.250 3.359 -0.549 1.00 0.00 H new ATOM 1073 N LEU A 196 -1.293 5.930 0.184 1.00 0.00 N ATOM 1074 CA LEU A 196 -1.086 7.362 0.130 1.00 0.00 C ATOM 1075 C LEU A 196 -2.109 8.087 1.004 1.00 0.00 C ATOM 1076 O LEU A 196 -1.740 8.965 1.778 1.00 0.00 O ATOM 1077 CB LEU A 196 -1.124 7.827 -1.330 1.00 0.00 C ATOM 1078 CG LEU A 196 0.053 7.282 -2.162 1.00 0.00 C ATOM 1079 CD1 LEU A 196 -0.205 7.557 -3.648 1.00 0.00 C ATOM 1080 CD2 LEU A 196 1.396 7.900 -1.754 1.00 0.00 C ATOM 0 H LEU A 196 -1.585 5.516 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 196 -0.104 7.610 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.062 7.508 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -1.110 8.917 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 196 0.118 6.210 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 196 0.626 7.172 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -1.127 7.063 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -0.298 8.631 -3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 196 2.191 7.482 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 196 1.357 8.980 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 196 1.595 7.678 -0.706 1.00 0.00 H new ATOM 1092 N ALA A 197 -3.384 7.705 0.908 1.00 0.00 N ATOM 1093 CA ALA A 197 -4.474 8.276 1.692 1.00 0.00 C ATOM 1094 C ALA A 197 -4.135 8.273 3.184 1.00 0.00 C ATOM 1095 O ALA A 197 -4.253 9.303 3.843 1.00 0.00 O ATOM 1096 CB ALA A 197 -5.787 7.532 1.419 1.00 0.00 C ATOM 0 H ALA A 197 -3.691 6.973 0.267 1.00 0.00 H new ATOM 0 HA ALA A 197 -4.607 9.313 1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -6.586 7.974 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -6.036 7.610 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -5.673 6.482 1.688 1.00 0.00 H new ATOM 1102 N MET A 198 -3.699 7.127 3.719 1.00 0.00 N ATOM 1103 CA MET A 198 -3.324 7.018 5.124 1.00 0.00 C ATOM 1104 C MET A 198 -1.959 7.653 5.427 1.00 0.00 C ATOM 1105 O MET A 198 -1.556 7.705 6.587 1.00 0.00 O ATOM 1106 CB MET A 198 -3.446 5.563 5.598 1.00 0.00 C ATOM 1107 CG MET A 198 -4.902 5.270 5.988 1.00 0.00 C ATOM 1108 SD MET A 198 -6.144 5.212 4.672 1.00 0.00 S ATOM 1109 CE MET A 198 -5.857 3.545 4.052 1.00 0.00 C ATOM 0 H MET A 198 -3.598 6.259 3.192 1.00 0.00 H new ATOM 0 HA MET A 198 -4.031 7.606 5.709 1.00 0.00 H new ATOM 0 HB2 MET A 198 -3.127 4.884 4.807 1.00 0.00 H new ATOM 0 HB3 MET A 198 -2.789 5.391 6.450 1.00 0.00 H new ATOM 0 HG2 MET A 198 -4.921 4.312 6.507 1.00 0.00 H new ATOM 0 HG3 MET A 198 -5.213 6.028 6.707 1.00 0.00 H new ATOM 0 HE1 MET A 198 -6.506 3.359 3.196 1.00 0.00 H new ATOM 0 HE2 MET A 198 -4.815 3.445 3.747 1.00 0.00 H new ATOM 0 HE3 MET A 198 -6.076 2.822 4.838 1.00 0.00 H new ATOM 1119 N GLY A 199 -1.259 8.175 4.419 1.00 0.00 N ATOM 1120 CA GLY A 199 -0.022 8.903 4.608 1.00 0.00 C ATOM 1121 C GLY A 199 1.170 7.992 4.843 1.00 0.00 C ATOM 1122 O GLY A 199 2.028 8.320 5.663 1.00 0.00 O ATOM 0 H GLY A 199 -1.545 8.099 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 199 0.167 9.522 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -0.130 9.578 5.457 1.00 0.00 H new ATOM 1126 N MET A 200 1.259 6.876 4.107 1.00 0.00 N ATOM 1127 CA MET A 200 2.444 6.032 4.204 1.00 0.00 C ATOM 1128 C MET A 200 3.657 6.872 3.794 1.00 0.00 C ATOM 1129 O MET A 200 3.684 7.440 2.700 1.00 0.00 O ATOM 1130 CB MET A 200 2.325 4.770 3.340 1.00 0.00 C ATOM 1131 CG MET A 200 1.485 3.701 4.039 1.00 0.00 C ATOM 1132 SD MET A 200 1.638 2.040 3.347 1.00 0.00 S ATOM 1133 CE MET A 200 0.811 1.087 4.637 1.00 0.00 C ATOM 0 H MET A 200 0.544 6.548 3.457 1.00 0.00 H new ATOM 0 HA MET A 200 2.556 5.683 5.231 1.00 0.00 H new ATOM 0 HB2 MET A 200 1.872 5.023 2.381 1.00 0.00 H new ATOM 0 HB3 MET A 200 3.319 4.375 3.129 1.00 0.00 H new ATOM 0 HG2 MET A 200 1.768 3.668 5.091 1.00 0.00 H new ATOM 0 HG3 MET A 200 0.438 4.000 4.000 1.00 0.00 H new ATOM 0 HE1 MET A 200 0.705 0.052 4.313 1.00 0.00 H new ATOM 0 HE2 MET A 200 1.403 1.122 5.551 1.00 0.00 H new ATOM 0 HE3 MET A 200 -0.175 1.511 4.827 1.00 0.00 H new ATOM 1143 N LYS A 201 4.640 6.988 4.688 1.00 0.00 N ATOM 1144 CA LYS A 201 5.809 7.815 4.484 1.00 0.00 C ATOM 1145 C LYS A 201 6.718 7.260 3.392 1.00 0.00 C ATOM 1146 O LYS A 201 7.729 6.619 3.679 1.00 0.00 O ATOM 1147 CB LYS A 201 6.543 8.026 5.812 1.00 0.00 C ATOM 1148 CG LYS A 201 5.648 8.642 6.897 1.00 0.00 C ATOM 1149 CD LYS A 201 5.024 9.990 6.502 1.00 0.00 C ATOM 1150 CE LYS A 201 4.176 10.570 7.639 1.00 0.00 C ATOM 1151 NZ LYS A 201 3.050 9.681 7.983 1.00 0.00 N ATOM 0 H LYS A 201 4.637 6.500 5.583 1.00 0.00 H new ATOM 0 HA LYS A 201 5.482 8.792 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 201 6.927 7.069 6.165 1.00 0.00 H new ATOM 0 HB3 LYS A 201 7.404 8.674 5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 201 4.849 7.940 7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 201 6.236 8.778 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 201 5.813 10.695 6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 201 4.405 9.860 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 201 4.801 10.723 8.519 1.00 0.00 H new ATOM 0 HE3 LYS A 201 3.793 11.547 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 2.279 10.242 8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 2.708 9.205 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 3.368 8.968 8.670 1.00 0.00 H new ATOM 1165 N ARG A 202 6.356 7.567 2.143 1.00 0.00 N ATOM 1166 CA ARG A 202 7.072 7.247 0.914 1.00 0.00 C ATOM 1167 C ARG A 202 8.582 7.384 1.130 1.00 0.00 C ATOM 1168 O ARG A 202 9.353 6.522 0.717 1.00 0.00 O ATOM 1169 CB ARG A 202 6.588 8.224 -0.174 1.00 0.00 C ATOM 1170 CG ARG A 202 7.227 7.958 -1.543 1.00 0.00 C ATOM 1171 CD ARG A 202 6.920 9.075 -2.547 1.00 0.00 C ATOM 1172 NE ARG A 202 5.510 9.076 -2.961 1.00 0.00 N ATOM 1173 CZ ARG A 202 4.991 8.296 -3.920 1.00 0.00 C ATOM 1174 NH1 ARG A 202 5.728 7.372 -4.543 1.00 0.00 N ATOM 1175 NH2 ARG A 202 3.712 8.427 -4.276 1.00 0.00 N ATOM 0 H ARG A 202 5.495 8.081 1.956 1.00 0.00 H new ATOM 0 HA ARG A 202 6.875 6.219 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 202 5.504 8.151 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 202 6.814 9.245 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 202 8.306 7.862 -1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 202 6.863 7.008 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 202 7.167 10.039 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 202 7.555 8.957 -3.425 1.00 0.00 H new ATOM 0 HE ARG A 202 4.879 9.719 -2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 202 6.709 7.248 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 202 5.310 6.791 -5.269 1.00 0.00 H new ATOM 0 HH21 ARG A 202 3.124 9.123 -3.818 1.00 0.00 H new ATOM 0 HH22 ARG A 202 3.322 7.831 -5.006 1.00 0.00 H new ATOM 1189 N GLU A 203 8.992 8.458 1.809 1.00 0.00 N ATOM 1190 CA GLU A 203 10.367 8.773 2.139 1.00 0.00 C ATOM 1191 C GLU A 203 11.131 7.541 2.639 1.00 0.00 C ATOM 1192 O GLU A 203 12.228 7.250 2.168 1.00 0.00 O ATOM 1193 CB GLU A 203 10.377 9.869 3.217 1.00 0.00 C ATOM 1194 CG GLU A 203 9.582 11.133 2.849 1.00 0.00 C ATOM 1195 CD GLU A 203 8.153 11.098 3.394 1.00 0.00 C ATOM 1196 OE1 GLU A 203 7.305 10.472 2.722 1.00 0.00 O ATOM 1197 OE2 GLU A 203 7.941 11.666 4.487 1.00 0.00 O ATOM 0 H GLU A 203 8.337 9.159 2.156 1.00 0.00 H new ATOM 0 HA GLU A 203 10.869 9.121 1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 203 9.971 9.456 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 203 11.410 10.151 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 203 10.097 12.010 3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 203 9.553 11.238 1.765 1.00 0.00 H new ATOM 1204 N ALA A 204 10.545 6.804 3.585 1.00 0.00 N ATOM 1205 CA ALA A 204 11.178 5.638 4.183 1.00 0.00 C ATOM 1206 C ALA A 204 11.515 4.548 3.162 1.00 0.00 C ATOM 1207 O ALA A 204 12.476 3.805 3.357 1.00 0.00 O ATOM 1208 CB ALA A 204 10.305 5.110 5.320 1.00 0.00 C ATOM 0 H ALA A 204 9.616 7.004 3.955 1.00 0.00 H new ATOM 0 HA ALA A 204 12.139 5.951 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 204 10.779 4.237 5.768 1.00 0.00 H new ATOM 0 HB2 ALA A 204 10.185 5.885 6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 204 9.327 4.831 4.928 1.00 0.00 H new ATOM 1214 N VAL A 205 10.784 4.455 2.046 1.00 0.00 N ATOM 1215 CA VAL A 205 11.105 3.474 1.014 1.00 0.00 C ATOM 1216 C VAL A 205 12.513 3.723 0.468 1.00 0.00 C ATOM 1217 O VAL A 205 13.215 2.783 0.086 1.00 0.00 O ATOM 1218 CB VAL A 205 10.053 3.499 -0.101 1.00 0.00 C ATOM 1219 CG1 VAL A 205 10.514 2.653 -1.292 1.00 0.00 C ATOM 1220 CG2 VAL A 205 8.695 3.033 0.440 1.00 0.00 C ATOM 0 H VAL A 205 9.976 5.042 1.839 1.00 0.00 H new ATOM 0 HA VAL A 205 11.089 2.477 1.455 1.00 0.00 H new ATOM 0 HB VAL A 205 9.933 4.523 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 205 9.755 2.682 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 205 11.451 3.052 -1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 205 10.664 1.623 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 205 7.957 3.055 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 205 8.785 2.016 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 205 8.377 3.696 1.245 1.00 0.00 H new ATOM 1230 N GLN A 206 12.957 4.983 0.483 1.00 0.00 N ATOM 1231 CA GLN A 206 14.289 5.340 0.032 1.00 0.00 C ATOM 1232 C GLN A 206 15.376 4.724 0.918 1.00 0.00 C ATOM 1233 O GLN A 206 16.548 4.838 0.576 1.00 0.00 O ATOM 1234 CB GLN A 206 14.427 6.863 -0.093 1.00 0.00 C ATOM 1235 CG GLN A 206 13.352 7.465 -1.013 1.00 0.00 C ATOM 1236 CD GLN A 206 13.446 6.936 -2.438 1.00 0.00 C ATOM 1237 OE1 GLN A 206 12.577 6.195 -2.889 1.00 0.00 O ATOM 1238 NE2 GLN A 206 14.504 7.284 -3.164 1.00 0.00 N ATOM 0 H GLN A 206 12.401 5.774 0.808 1.00 0.00 H new ATOM 0 HA GLN A 206 14.435 4.916 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 206 14.353 7.316 0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 206 15.415 7.107 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 206 12.365 7.241 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 206 13.453 8.550 -1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 206 15.213 7.901 -2.768 1.00 0.00 H new ATOM 0 HE22 GLN A 206 14.606 6.934 -4.117 1.00 0.00 H new ATOM 1247 N GLU A 207 15.026 4.017 2.005 1.00 0.00 N ATOM 1248 CA GLU A 207 15.992 3.307 2.832 1.00 0.00 C ATOM 1249 C GLU A 207 16.853 2.389 1.953 1.00 0.00 C ATOM 1250 O GLU A 207 18.050 2.250 2.192 1.00 0.00 O ATOM 1251 CB GLU A 207 15.238 2.520 3.914 1.00 0.00 C ATOM 1252 CG GLU A 207 16.172 1.760 4.865 1.00 0.00 C ATOM 1253 CD GLU A 207 15.372 1.024 5.935 1.00 0.00 C ATOM 1254 OE1 GLU A 207 14.781 -0.019 5.582 1.00 0.00 O ATOM 1255 OE2 GLU A 207 15.357 1.524 7.081 1.00 0.00 O ATOM 0 H GLU A 207 14.063 3.927 2.328 1.00 0.00 H new ATOM 0 HA GLU A 207 16.663 4.011 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 207 14.622 3.208 4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 207 14.562 1.812 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 207 16.773 1.048 4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 207 16.864 2.457 5.337 1.00 0.00 H new