USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 535 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 53 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.203) USER MOD Set 1.2: A 56 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.0059) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= -0.0117 (180deg=-0.576) USER MOD Single : A 14 SER OG : rot -55:sc= 0.32 USER MOD Single : A 20 CYS SG : rot 147:sc= -2.26! USER MOD Single : A 21 SER OG : rot 99:sc= 1.22 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.226) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= 0.0597 K(o=0.06,f=-3.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 155:sc= -1.83 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -133:sc= -0.453 (180deg=-1.62!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.6) USER MOD Single : A 51 SER OG : rot 180:sc= -0.02 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -140:sc= -0.0565 (180deg=-0.224) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.177) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 2.066 15.829 0.110 1.00 0.00 N ATOM 137 CA PRO A 9 1.517 14.537 0.587 1.00 0.00 C ATOM 138 C PRO A 9 0.274 14.775 1.451 1.00 0.00 C ATOM 139 O PRO A 9 0.365 14.923 2.655 1.00 0.00 O ATOM 140 CB PRO A 9 2.650 13.949 1.422 1.00 0.00 C ATOM 141 CG PRO A 9 3.460 15.124 1.876 1.00 0.00 C ATOM 142 CD PRO A 9 3.261 16.230 0.872 1.00 0.00 C ATOM 0 HA PRO A 9 1.207 13.878 -0.224 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.261 13.388 2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.255 13.259 0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.144 15.446 2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.514 14.857 1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.113 17.191 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.129 16.336 0.221 1.00 0.00 H new ATOM 150 N LYS A 10 -0.884 14.822 0.842 1.00 0.00 N ATOM 151 CA LYS A 10 -2.132 15.060 1.617 1.00 0.00 C ATOM 152 C LYS A 10 -2.869 13.745 1.880 1.00 0.00 C ATOM 153 O LYS A 10 -4.083 13.711 1.975 1.00 0.00 O ATOM 154 CB LYS A 10 -2.970 15.999 0.741 1.00 0.00 C ATOM 155 CG LYS A 10 -3.331 15.311 -0.589 1.00 0.00 C ATOM 156 CD LYS A 10 -2.926 16.203 -1.766 1.00 0.00 C ATOM 157 CE LYS A 10 -2.971 15.389 -3.061 1.00 0.00 C ATOM 158 NZ LYS A 10 -4.407 15.041 -3.248 1.00 0.00 N ATOM 0 H LYS A 10 -1.016 14.705 -0.163 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.930 15.493 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.880 16.284 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.415 16.916 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.824 14.349 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.402 15.110 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.599 17.057 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.923 16.600 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.592 15.967 -3.904 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.354 14.493 -2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.577 14.792 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.650 14.231 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.998 15.856 -2.989 1.00 0.00 H new ATOM 172 N ARG A 11 -2.142 12.668 1.995 1.00 0.00 N ATOM 173 CA ARG A 11 -2.789 11.343 2.253 1.00 0.00 C ATOM 174 C ARG A 11 -1.733 10.274 2.582 1.00 0.00 C ATOM 175 O ARG A 11 -1.104 9.744 1.687 1.00 0.00 O ATOM 176 CB ARG A 11 -3.511 10.989 0.950 1.00 0.00 C ATOM 177 CG ARG A 11 -4.481 9.829 1.201 1.00 0.00 C ATOM 178 CD ARG A 11 -5.770 10.056 0.406 1.00 0.00 C ATOM 179 NE ARG A 11 -6.861 9.572 1.297 1.00 0.00 N ATOM 180 CZ ARG A 11 -7.787 10.397 1.701 1.00 0.00 C ATOM 181 NH1 ARG A 11 -8.804 10.666 0.929 1.00 0.00 N ATOM 182 NH2 ARG A 11 -7.697 10.954 2.878 1.00 0.00 N ATOM 0 H ARG A 11 -1.125 12.645 1.922 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.469 11.386 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.054 11.857 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.787 10.712 0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.021 8.886 0.905 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.706 9.754 2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.901 11.109 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.756 9.506 -0.535 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.884 8.596 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.875 10.231 0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.528 11.311 1.245 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.902 10.744 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.421 11.599 3.194 1.00 0.00 H new ATOM 196 N PRO A 12 -1.569 9.976 3.856 1.00 0.00 N ATOM 197 CA PRO A 12 -0.578 8.950 4.260 1.00 0.00 C ATOM 198 C PRO A 12 -1.127 7.540 3.969 1.00 0.00 C ATOM 199 O PRO A 12 -2.145 7.162 4.515 1.00 0.00 O ATOM 200 CB PRO A 12 -0.424 9.167 5.761 1.00 0.00 C ATOM 201 CG PRO A 12 -1.700 9.808 6.200 1.00 0.00 C ATOM 202 CD PRO A 12 -2.267 10.552 5.017 1.00 0.00 C ATOM 0 HA PRO A 12 0.368 9.033 3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.259 8.223 6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.432 9.805 5.980 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.405 9.055 6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.520 10.490 7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.346 10.415 4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.087 11.624 5.098 1.00 0.00 H new ATOM 210 N PRO A 13 -0.447 6.800 3.117 1.00 0.00 N ATOM 211 CA PRO A 13 -0.908 5.434 2.779 1.00 0.00 C ATOM 212 C PRO A 13 -0.461 4.438 3.852 1.00 0.00 C ATOM 213 O PRO A 13 0.376 4.744 4.682 1.00 0.00 O ATOM 214 CB PRO A 13 -0.223 5.145 1.447 1.00 0.00 C ATOM 215 CG PRO A 13 0.997 6.018 1.420 1.00 0.00 C ATOM 216 CD PRO A 13 0.788 7.149 2.400 1.00 0.00 C ATOM 0 HA PRO A 13 -1.993 5.349 2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.047 4.092 1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.884 5.370 0.610 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.883 5.442 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.162 6.410 0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.631 7.240 3.085 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.690 8.105 1.886 1.00 0.00 H new ATOM 224 N SER A 14 -1.014 3.250 3.844 1.00 0.00 N ATOM 225 CA SER A 14 -0.624 2.233 4.866 1.00 0.00 C ATOM 226 C SER A 14 -0.917 0.816 4.356 1.00 0.00 C ATOM 227 O SER A 14 -1.615 0.050 4.994 1.00 0.00 O ATOM 228 CB SER A 14 -1.484 2.556 6.088 1.00 0.00 C ATOM 229 OG SER A 14 -1.115 1.698 7.160 1.00 0.00 O ATOM 0 H SER A 14 -1.718 2.942 3.174 1.00 0.00 H new ATOM 0 HA SER A 14 0.441 2.266 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.349 3.598 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.540 2.426 5.849 1.00 0.00 H new ATOM 0 HG SER A 14 -1.182 0.764 6.870 1.00 0.00 H new ATOM 235 N ALA A 15 -0.397 0.464 3.202 1.00 0.00 N ATOM 236 CA ALA A 15 -0.635 -0.899 2.613 1.00 0.00 C ATOM 237 C ALA A 15 -2.100 -1.043 2.207 1.00 0.00 C ATOM 238 O ALA A 15 -2.429 -0.980 1.038 1.00 0.00 O ATOM 239 CB ALA A 15 -0.250 -1.932 3.689 1.00 0.00 C ATOM 0 H ALA A 15 0.192 1.072 2.633 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.035 -1.053 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.408 -2.938 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.800 -1.807 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.868 -1.783 4.574 1.00 0.00 H new ATOM 245 N PHE A 16 -2.984 -1.244 3.155 1.00 0.00 N ATOM 246 CA PHE A 16 -4.442 -1.400 2.824 1.00 0.00 C ATOM 247 C PHE A 16 -4.924 -0.288 1.887 1.00 0.00 C ATOM 248 O PHE A 16 -5.542 -0.547 0.871 1.00 0.00 O ATOM 249 CB PHE A 16 -5.158 -1.289 4.164 1.00 0.00 C ATOM 250 CG PHE A 16 -6.579 -1.777 4.015 1.00 0.00 C ATOM 251 CD1 PHE A 16 -6.839 -3.147 3.888 1.00 0.00 C ATOM 252 CD2 PHE A 16 -7.636 -0.859 3.997 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.157 -3.598 3.743 1.00 0.00 C ATOM 254 CE2 PHE A 16 -8.953 -1.311 3.852 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.213 -2.681 3.726 1.00 0.00 C ATOM 0 H PHE A 16 -2.760 -1.307 4.148 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.636 -2.343 2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.636 -1.879 4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.151 -0.255 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.024 -3.855 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.435 0.198 4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.358 -4.655 3.644 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.768 -0.603 3.837 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.229 -3.030 3.616 1.00 0.00 H new ATOM 265 N PHE A 17 -4.639 0.947 2.220 1.00 0.00 N ATOM 266 CA PHE A 17 -5.073 2.083 1.347 1.00 0.00 C ATOM 267 C PHE A 17 -4.492 1.903 -0.058 1.00 0.00 C ATOM 268 O PHE A 17 -5.153 2.146 -1.048 1.00 0.00 O ATOM 269 CB PHE A 17 -4.508 3.350 2.009 1.00 0.00 C ATOM 270 CG PHE A 17 -5.638 4.283 2.384 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.235 5.085 1.406 1.00 0.00 C ATOM 272 CD2 PHE A 17 -6.085 4.343 3.709 1.00 0.00 C ATOM 273 CE1 PHE A 17 -7.282 5.949 1.752 1.00 0.00 C ATOM 274 CE2 PHE A 17 -7.132 5.206 4.056 1.00 0.00 C ATOM 275 CZ PHE A 17 -7.730 6.009 3.078 1.00 0.00 C ATOM 0 H PHE A 17 -4.125 1.218 3.058 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.157 2.138 1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.936 3.082 2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.822 3.852 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.889 5.038 0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.623 3.724 4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.743 6.568 0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.478 5.252 5.078 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.537 6.675 3.346 1.00 0.00 H new ATOM 285 N LEU A 18 -3.257 1.478 -0.143 1.00 0.00 N ATOM 286 CA LEU A 18 -2.614 1.277 -1.479 1.00 0.00 C ATOM 287 C LEU A 18 -3.391 0.234 -2.287 1.00 0.00 C ATOM 288 O LEU A 18 -3.702 0.440 -3.444 1.00 0.00 O ATOM 289 CB LEU A 18 -1.194 0.762 -1.189 1.00 0.00 C ATOM 290 CG LEU A 18 -0.428 1.733 -0.274 1.00 0.00 C ATOM 291 CD1 LEU A 18 1.007 1.232 -0.100 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.394 3.134 -0.897 1.00 0.00 C ATOM 0 H LEU A 18 -2.664 1.261 0.658 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.599 2.200 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.249 -0.219 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.651 0.636 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.931 1.782 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.555 1.916 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.994 0.239 0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.496 1.183 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.151 3.811 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.104 3.090 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.413 3.498 -1.029 1.00 0.00 H new ATOM 304 N PHE A 19 -3.700 -0.884 -1.681 1.00 0.00 N ATOM 305 CA PHE A 19 -4.455 -1.954 -2.406 1.00 0.00 C ATOM 306 C PHE A 19 -5.874 -1.483 -2.726 1.00 0.00 C ATOM 307 O PHE A 19 -6.331 -1.584 -3.850 1.00 0.00 O ATOM 308 CB PHE A 19 -4.492 -3.143 -1.443 1.00 0.00 C ATOM 309 CG PHE A 19 -5.136 -4.326 -2.124 1.00 0.00 C ATOM 310 CD1 PHE A 19 -4.349 -5.231 -2.846 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.520 -4.519 -2.034 1.00 0.00 C ATOM 312 CE1 PHE A 19 -4.945 -6.328 -3.478 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.117 -5.616 -2.667 1.00 0.00 C ATOM 314 CZ PHE A 19 -6.330 -6.521 -3.388 1.00 0.00 C ATOM 0 H PHE A 19 -3.462 -1.104 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.985 -2.212 -3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.481 -3.399 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.050 -2.879 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.282 -5.082 -2.915 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.127 -3.821 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.338 -7.026 -4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.185 -5.764 -2.599 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.790 -7.368 -3.875 1.00 0.00 H new ATOM 324 N CYS A 20 -6.575 -0.972 -1.746 1.00 0.00 N ATOM 325 CA CYS A 20 -7.971 -0.495 -1.988 1.00 0.00 C ATOM 326 C CYS A 20 -7.959 0.680 -2.966 1.00 0.00 C ATOM 327 O CYS A 20 -8.881 0.867 -3.738 1.00 0.00 O ATOM 328 CB CYS A 20 -8.488 -0.046 -0.618 1.00 0.00 C ATOM 329 SG CYS A 20 -9.329 -1.428 0.195 1.00 0.00 S ATOM 0 H CYS A 20 -6.241 -0.864 -0.788 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.602 -1.270 -2.423 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.659 0.302 -0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.174 0.793 -0.734 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.146 -1.352 1.480 1.00 0.00 H new ATOM 335 N SER A 21 -6.920 1.470 -2.936 1.00 0.00 N ATOM 336 CA SER A 21 -6.836 2.643 -3.858 1.00 0.00 C ATOM 337 C SER A 21 -6.743 2.182 -5.317 1.00 0.00 C ATOM 338 O SER A 21 -7.061 2.927 -6.226 1.00 0.00 O ATOM 339 CB SER A 21 -5.557 3.378 -3.457 1.00 0.00 C ATOM 340 OG SER A 21 -5.827 4.216 -2.341 1.00 0.00 O ATOM 0 H SER A 21 -6.122 1.354 -2.311 1.00 0.00 H new ATOM 0 HA SER A 21 -7.719 3.278 -3.782 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.775 2.661 -3.207 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.189 3.973 -4.293 1.00 0.00 H new ATOM 0 HG SER A 21 -5.531 3.772 -1.519 1.00 0.00 H new ATOM 346 N GLU A 22 -6.296 0.973 -5.550 1.00 0.00 N ATOM 347 CA GLU A 22 -6.168 0.482 -6.957 1.00 0.00 C ATOM 348 C GLU A 22 -7.249 -0.554 -7.293 1.00 0.00 C ATOM 349 O GLU A 22 -7.599 -0.730 -8.446 1.00 0.00 O ATOM 350 CB GLU A 22 -4.771 -0.146 -7.037 1.00 0.00 C ATOM 351 CG GLU A 22 -4.650 -1.296 -6.032 1.00 0.00 C ATOM 352 CD GLU A 22 -3.430 -2.151 -6.380 1.00 0.00 C ATOM 353 OE1 GLU A 22 -3.509 -2.896 -7.344 1.00 0.00 O ATOM 354 OE2 GLU A 22 -2.438 -2.047 -5.678 1.00 0.00 O ATOM 0 H GLU A 22 -6.015 0.307 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.297 1.292 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.587 -0.514 -8.046 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.012 0.609 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.554 -0.901 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.553 -1.907 -6.051 1.00 0.00 H new ATOM 361 N TYR A 23 -7.770 -1.252 -6.312 1.00 0.00 N ATOM 362 CA TYR A 23 -8.814 -2.287 -6.600 1.00 0.00 C ATOM 363 C TYR A 23 -10.204 -1.647 -6.712 1.00 0.00 C ATOM 364 O TYR A 23 -11.026 -2.084 -7.491 1.00 0.00 O ATOM 365 CB TYR A 23 -8.760 -3.253 -5.408 1.00 0.00 C ATOM 366 CG TYR A 23 -8.173 -4.577 -5.846 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.790 -4.709 -6.011 1.00 0.00 C ATOM 368 CD2 TYR A 23 -9.016 -5.669 -6.086 1.00 0.00 C ATOM 369 CE1 TYR A 23 -6.248 -5.935 -6.417 1.00 0.00 C ATOM 370 CE2 TYR A 23 -8.473 -6.894 -6.491 1.00 0.00 C ATOM 371 CZ TYR A 23 -7.089 -7.027 -6.657 1.00 0.00 C ATOM 372 OH TYR A 23 -6.556 -8.235 -7.057 1.00 0.00 O ATOM 0 H TYR A 23 -7.519 -1.151 -5.329 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.630 -2.793 -7.547 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.156 -2.824 -4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.762 -3.404 -5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.141 -3.866 -5.825 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.084 -5.566 -5.959 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.180 -6.037 -6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.122 -7.737 -6.676 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.278 -8.887 -7.179 1.00 0.00 H new ATOM 382 N ARG A 24 -10.475 -0.621 -5.940 1.00 0.00 N ATOM 383 CA ARG A 24 -11.815 0.045 -5.998 1.00 0.00 C ATOM 384 C ARG A 24 -12.244 0.354 -7.444 1.00 0.00 C ATOM 385 O ARG A 24 -13.318 -0.044 -7.838 1.00 0.00 O ATOM 386 CB ARG A 24 -11.667 1.337 -5.203 1.00 0.00 C ATOM 387 CG ARG A 24 -11.709 1.025 -3.705 1.00 0.00 C ATOM 388 CD ARG A 24 -11.332 2.277 -2.910 1.00 0.00 C ATOM 389 NE ARG A 24 -12.104 2.174 -1.640 1.00 0.00 N ATOM 390 CZ ARG A 24 -11.630 2.698 -0.543 1.00 0.00 C ATOM 391 NH1 ARG A 24 -11.586 3.996 -0.406 1.00 0.00 N ATOM 392 NH2 ARG A 24 -11.199 1.926 0.416 1.00 0.00 N ATOM 0 H ARG A 24 -9.822 -0.215 -5.269 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.586 -0.608 -5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.727 1.826 -5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.467 2.030 -5.463 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.706 0.688 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.020 0.213 -3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.260 2.315 -2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.590 3.184 -3.456 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.004 1.694 -1.628 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.922 4.600 -1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.216 4.406 0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.232 0.912 0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.829 2.336 1.273 1.00 0.00 H new ATOM 406 N PRO A 25 -11.401 1.038 -8.204 1.00 0.00 N ATOM 407 CA PRO A 25 -11.759 1.366 -9.617 1.00 0.00 C ATOM 408 C PRO A 25 -11.994 0.084 -10.412 1.00 0.00 C ATOM 409 O PRO A 25 -12.762 0.061 -11.356 1.00 0.00 O ATOM 410 CB PRO A 25 -10.550 2.156 -10.122 1.00 0.00 C ATOM 411 CG PRO A 25 -9.435 1.742 -9.225 1.00 0.00 C ATOM 412 CD PRO A 25 -10.060 1.550 -7.868 1.00 0.00 C ATOM 0 HA PRO A 25 -12.682 1.938 -9.717 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.330 1.922 -11.164 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.726 3.230 -10.067 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.970 0.821 -9.577 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.654 2.502 -9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.497 0.843 -7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.111 2.484 -7.309 1.00 0.00 H new ATOM 420 N LYS A 26 -11.368 -0.993 -10.012 1.00 0.00 N ATOM 421 CA LYS A 26 -11.585 -2.290 -10.716 1.00 0.00 C ATOM 422 C LYS A 26 -13.004 -2.768 -10.421 1.00 0.00 C ATOM 423 O LYS A 26 -13.727 -3.203 -11.297 1.00 0.00 O ATOM 424 CB LYS A 26 -10.579 -3.256 -10.099 1.00 0.00 C ATOM 425 CG LYS A 26 -10.417 -4.478 -11.006 1.00 0.00 C ATOM 426 CD LYS A 26 -11.588 -5.436 -10.784 1.00 0.00 C ATOM 427 CE LYS A 26 -11.221 -6.824 -11.313 1.00 0.00 C ATOM 428 NZ LYS A 26 -12.360 -7.699 -10.917 1.00 0.00 N ATOM 0 H LYS A 26 -10.716 -1.029 -9.228 1.00 0.00 H new ATOM 0 HA LYS A 26 -11.459 -2.212 -11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.618 -2.760 -9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.917 -3.567 -9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.380 -4.167 -12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.475 -4.982 -10.790 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.829 -5.492 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.477 -5.064 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.089 -6.812 -12.395 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.284 -7.176 -10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.182 -8.670 -11.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.457 -7.696 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.237 -7.343 -11.348 1.00 0.00 H new ATOM 442 N ILE A 27 -13.398 -2.681 -9.176 1.00 0.00 N ATOM 443 CA ILE A 27 -14.768 -3.116 -8.775 1.00 0.00 C ATOM 444 C ILE A 27 -15.819 -2.318 -9.546 1.00 0.00 C ATOM 445 O ILE A 27 -16.883 -2.815 -9.852 1.00 0.00 O ATOM 446 CB ILE A 27 -14.888 -2.782 -7.274 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.805 -3.502 -6.455 1.00 0.00 C ATOM 448 CG2 ILE A 27 -16.268 -3.207 -6.758 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.887 -5.011 -6.672 1.00 0.00 C ATOM 0 H ILE A 27 -12.822 -2.323 -8.414 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.925 -4.175 -8.981 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.757 -1.706 -7.158 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.819 -3.140 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.929 -3.273 -5.396 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.349 -2.969 -5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -17.043 -2.674 -7.309 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.395 -4.280 -6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -13.113 -5.506 -6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.867 -5.371 -6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.740 -5.235 -7.728 1.00 0.00 H new ATOM 461 N LYS A 28 -15.541 -1.071 -9.811 1.00 0.00 N ATOM 462 CA LYS A 28 -16.548 -0.209 -10.507 1.00 0.00 C ATOM 463 C LYS A 28 -16.707 -0.645 -11.968 1.00 0.00 C ATOM 464 O LYS A 28 -17.801 -0.660 -12.501 1.00 0.00 O ATOM 465 CB LYS A 28 -16.041 1.256 -10.440 1.00 0.00 C ATOM 466 CG LYS A 28 -15.301 1.613 -9.123 1.00 0.00 C ATOM 467 CD LYS A 28 -15.940 0.986 -7.869 1.00 0.00 C ATOM 468 CE LYS A 28 -17.426 1.349 -7.798 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.451 2.780 -7.384 1.00 0.00 N ATOM 0 H LYS A 28 -14.662 -0.609 -9.577 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.521 -0.300 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.371 1.436 -11.281 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.890 1.929 -10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.265 1.283 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.283 2.697 -9.008 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.823 -0.097 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.428 1.341 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.914 1.208 -8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.952 0.721 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.037 2.884 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.482 3.099 -7.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.851 3.356 -8.151 1.00 0.00 H new ATOM 483 N SER A 29 -15.626 -0.988 -12.622 1.00 0.00 N ATOM 484 CA SER A 29 -15.712 -1.413 -14.058 1.00 0.00 C ATOM 485 C SER A 29 -16.655 -2.611 -14.218 1.00 0.00 C ATOM 486 O SER A 29 -17.221 -2.826 -15.274 1.00 0.00 O ATOM 487 CB SER A 29 -14.285 -1.805 -14.447 1.00 0.00 C ATOM 488 OG SER A 29 -14.222 -2.014 -15.851 1.00 0.00 O ATOM 0 H SER A 29 -14.686 -0.993 -12.226 1.00 0.00 H new ATOM 0 HA SER A 29 -16.107 -0.617 -14.689 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.587 -1.021 -14.153 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.988 -2.711 -13.919 1.00 0.00 H new ATOM 0 HG SER A 29 -13.309 -2.264 -16.104 1.00 0.00 H new ATOM 494 N GLU A 30 -16.822 -3.391 -13.182 1.00 0.00 N ATOM 495 CA GLU A 30 -17.723 -4.581 -13.269 1.00 0.00 C ATOM 496 C GLU A 30 -18.940 -4.406 -12.353 1.00 0.00 C ATOM 497 O GLU A 30 -19.976 -5.007 -12.565 1.00 0.00 O ATOM 498 CB GLU A 30 -16.861 -5.759 -12.802 1.00 0.00 C ATOM 499 CG GLU A 30 -16.444 -6.606 -14.007 1.00 0.00 C ATOM 500 CD GLU A 30 -17.605 -7.514 -14.419 1.00 0.00 C ATOM 501 OE1 GLU A 30 -18.500 -7.029 -15.091 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.578 -8.678 -14.057 1.00 0.00 O ATOM 0 H GLU A 30 -16.372 -3.256 -12.276 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.112 -4.729 -14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.977 -5.391 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.418 -6.370 -12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.161 -5.960 -14.838 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.569 -7.207 -13.758 1.00 0.00 H new ATOM 509 N HIS A 31 -18.821 -3.589 -11.338 1.00 0.00 N ATOM 510 CA HIS A 31 -19.968 -3.370 -10.405 1.00 0.00 C ATOM 511 C HIS A 31 -20.349 -1.882 -10.402 1.00 0.00 C ATOM 512 O HIS A 31 -19.747 -1.099 -9.695 1.00 0.00 O ATOM 513 CB HIS A 31 -19.478 -3.798 -9.013 1.00 0.00 C ATOM 514 CG HIS A 31 -18.873 -5.178 -9.064 1.00 0.00 C ATOM 515 ND1 HIS A 31 -17.508 -5.377 -9.191 1.00 0.00 N ATOM 516 CD2 HIS A 31 -19.432 -6.430 -9.010 1.00 0.00 C ATOM 517 CE1 HIS A 31 -17.292 -6.703 -9.207 1.00 0.00 C ATOM 518 NE2 HIS A 31 -18.431 -7.394 -9.100 1.00 0.00 N ATOM 0 H HIS A 31 -17.977 -3.062 -11.114 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.848 -3.941 -10.703 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.740 -3.085 -8.646 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.310 -3.786 -8.309 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -16.796 -4.649 -9.260 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.488 -6.636 -8.913 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -16.316 -7.156 -9.296 1.00 0.00 H new ATOM 526 N PRO A 32 -21.336 -1.530 -11.198 1.00 0.00 N ATOM 527 CA PRO A 32 -21.769 -0.115 -11.270 1.00 0.00 C ATOM 528 C PRO A 32 -22.570 0.260 -10.023 1.00 0.00 C ATOM 529 O PRO A 32 -22.475 1.364 -9.521 1.00 0.00 O ATOM 530 CB PRO A 32 -22.645 -0.068 -12.517 1.00 0.00 C ATOM 531 CG PRO A 32 -23.138 -1.466 -12.712 1.00 0.00 C ATOM 532 CD PRO A 32 -22.129 -2.394 -12.087 1.00 0.00 C ATOM 0 HA PRO A 32 -20.936 0.586 -11.318 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.475 0.626 -12.387 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.077 0.272 -13.383 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.116 -1.596 -12.249 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.256 -1.686 -13.773 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.617 -3.195 -11.531 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.503 -2.867 -12.843 1.00 0.00 H new ATOM 540 N GLY A 33 -23.351 -0.658 -9.521 1.00 0.00 N ATOM 541 CA GLY A 33 -24.161 -0.374 -8.302 1.00 0.00 C ATOM 542 C GLY A 33 -23.264 -0.387 -7.055 1.00 0.00 C ATOM 543 O GLY A 33 -23.653 0.094 -6.011 1.00 0.00 O ATOM 0 H GLY A 33 -23.463 -1.596 -9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.649 0.596 -8.398 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.950 -1.119 -8.199 1.00 0.00 H new ATOM 547 N LEU A 34 -22.080 -0.948 -7.153 1.00 0.00 N ATOM 548 CA LEU A 34 -21.154 -1.011 -5.969 1.00 0.00 C ATOM 549 C LEU A 34 -20.851 0.394 -5.423 1.00 0.00 C ATOM 550 O LEU A 34 -19.844 0.992 -5.753 1.00 0.00 O ATOM 551 CB LEU A 34 -19.866 -1.670 -6.504 1.00 0.00 C ATOM 552 CG LEU A 34 -19.602 -3.012 -5.799 1.00 0.00 C ATOM 553 CD1 LEU A 34 -19.260 -2.761 -4.330 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.837 -3.921 -5.894 1.00 0.00 C ATOM 0 H LEU A 34 -21.711 -1.368 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.595 -1.571 -5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.954 -1.830 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.019 -1.001 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.764 -3.507 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.073 -3.713 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.369 -2.137 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.094 -2.255 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -20.633 -4.866 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.686 -3.432 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.069 -4.111 -6.942 1.00 0.00 H new ATOM 566 N SER A 35 -21.714 0.916 -4.589 1.00 0.00 N ATOM 567 CA SER A 35 -21.482 2.277 -4.014 1.00 0.00 C ATOM 568 C SER A 35 -20.408 2.203 -2.927 1.00 0.00 C ATOM 569 O SER A 35 -19.973 1.131 -2.551 1.00 0.00 O ATOM 570 CB SER A 35 -22.826 2.692 -3.415 1.00 0.00 C ATOM 571 OG SER A 35 -23.836 2.584 -4.409 1.00 0.00 O ATOM 0 H SER A 35 -22.571 0.458 -4.280 1.00 0.00 H new ATOM 0 HA SER A 35 -21.136 2.992 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 35 -23.069 2.057 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 35 -22.772 3.716 -3.045 1.00 0.00 H new ATOM 0 HG SER A 35 -24.700 2.848 -4.028 1.00 0.00 H new ATOM 577 N ILE A 36 -19.978 3.331 -2.415 1.00 0.00 N ATOM 578 CA ILE A 36 -18.925 3.321 -1.345 1.00 0.00 C ATOM 579 C ILE A 36 -19.365 2.430 -0.176 1.00 0.00 C ATOM 580 O ILE A 36 -18.546 1.859 0.521 1.00 0.00 O ATOM 581 CB ILE A 36 -18.784 4.783 -0.890 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.275 5.649 -2.057 1.00 0.00 C ATOM 583 CG2 ILE A 36 -17.795 4.868 0.281 1.00 0.00 C ATOM 584 CD1 ILE A 36 -16.910 5.144 -2.542 1.00 0.00 C ATOM 0 H ILE A 36 -20.308 4.256 -2.689 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.978 2.923 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 36 -19.759 5.151 -0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -18.992 5.623 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.193 6.688 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.698 5.906 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.162 4.265 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -16.822 4.494 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.564 5.767 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.192 5.194 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -17.003 4.112 -2.880 1.00 0.00 H new ATOM 596 N GLY A 37 -20.651 2.304 0.033 1.00 0.00 N ATOM 597 CA GLY A 37 -21.151 1.448 1.148 1.00 0.00 C ATOM 598 C GLY A 37 -20.671 0.012 0.932 1.00 0.00 C ATOM 599 O GLY A 37 -19.810 -0.473 1.639 1.00 0.00 O ATOM 0 H GLY A 37 -21.376 2.758 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.788 1.826 2.104 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.240 1.479 1.186 1.00 0.00 H new ATOM 603 N ASP A 38 -21.212 -0.660 -0.049 1.00 0.00 N ATOM 604 CA ASP A 38 -20.785 -2.065 -0.325 1.00 0.00 C ATOM 605 C ASP A 38 -19.338 -2.094 -0.829 1.00 0.00 C ATOM 606 O ASP A 38 -18.607 -3.022 -0.562 1.00 0.00 O ATOM 607 CB ASP A 38 -21.739 -2.571 -1.408 1.00 0.00 C ATOM 608 CG ASP A 38 -21.643 -4.096 -1.502 1.00 0.00 C ATOM 609 OD1 ASP A 38 -20.538 -4.593 -1.633 1.00 0.00 O ATOM 610 OD2 ASP A 38 -22.678 -4.740 -1.439 1.00 0.00 O ATOM 0 H ASP A 38 -21.933 -0.297 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.821 -2.685 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.761 -2.274 -1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.488 -2.120 -2.368 1.00 0.00 H new ATOM 615 N THR A 39 -18.918 -1.075 -1.533 1.00 0.00 N ATOM 616 CA THR A 39 -17.510 -1.042 -2.041 1.00 0.00 C ATOM 617 C THR A 39 -16.534 -0.952 -0.866 1.00 0.00 C ATOM 618 O THR A 39 -15.421 -1.440 -0.938 1.00 0.00 O ATOM 619 CB THR A 39 -17.418 0.205 -2.929 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.303 0.063 -4.032 1.00 0.00 O ATOM 621 CG2 THR A 39 -15.984 0.368 -3.448 1.00 0.00 C ATOM 0 H THR A 39 -19.486 -0.265 -1.779 1.00 0.00 H new ATOM 0 HA THR A 39 -17.253 -1.942 -2.600 1.00 0.00 H new ATOM 0 HB THR A 39 -17.693 1.084 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.555 0.949 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.924 1.255 -4.078 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.302 0.475 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.706 -0.510 -4.030 1.00 0.00 H new ATOM 629 N ALA A 40 -16.946 -0.341 0.213 1.00 0.00 N ATOM 630 CA ALA A 40 -16.046 -0.228 1.397 1.00 0.00 C ATOM 631 C ALA A 40 -15.931 -1.588 2.084 1.00 0.00 C ATOM 632 O ALA A 40 -14.858 -2.012 2.468 1.00 0.00 O ATOM 633 CB ALA A 40 -16.719 0.788 2.322 1.00 0.00 C ATOM 0 H ALA A 40 -17.866 0.084 0.325 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.038 0.086 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.112 0.923 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.818 1.742 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.707 0.424 2.605 1.00 0.00 H new ATOM 639 N LYS A 41 -17.038 -2.267 2.252 1.00 0.00 N ATOM 640 CA LYS A 41 -17.009 -3.598 2.928 1.00 0.00 C ATOM 641 C LYS A 41 -16.723 -4.737 1.934 1.00 0.00 C ATOM 642 O LYS A 41 -16.417 -5.843 2.341 1.00 0.00 O ATOM 643 CB LYS A 41 -18.396 -3.759 3.575 1.00 0.00 C ATOM 644 CG LYS A 41 -19.486 -3.872 2.504 1.00 0.00 C ATOM 645 CD LYS A 41 -20.851 -3.581 3.131 1.00 0.00 C ATOM 646 CE LYS A 41 -20.940 -2.101 3.527 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.491 -2.102 4.911 1.00 0.00 N ATOM 0 H LYS A 41 -17.961 -1.956 1.950 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.209 -3.649 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.407 -4.647 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.602 -2.906 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.289 -3.170 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -19.480 -4.871 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.645 -3.826 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.999 -4.211 4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -19.960 -1.624 3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.587 -1.549 2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.580 -1.123 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.427 -2.555 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.851 -2.628 5.539 1.00 0.00 H new ATOM 661 N LYS A 42 -16.807 -4.490 0.644 1.00 0.00 N ATOM 662 CA LYS A 42 -16.521 -5.580 -0.345 1.00 0.00 C ATOM 663 C LYS A 42 -15.015 -5.656 -0.650 1.00 0.00 C ATOM 664 O LYS A 42 -14.586 -6.411 -1.500 1.00 0.00 O ATOM 665 CB LYS A 42 -17.310 -5.188 -1.605 1.00 0.00 C ATOM 666 CG LYS A 42 -17.227 -6.293 -2.669 1.00 0.00 C ATOM 667 CD LYS A 42 -17.747 -7.617 -2.097 1.00 0.00 C ATOM 668 CE LYS A 42 -18.527 -8.374 -3.174 1.00 0.00 C ATOM 669 NZ LYS A 42 -18.222 -9.812 -2.930 1.00 0.00 N ATOM 0 H LYS A 42 -17.059 -3.589 0.238 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.810 -6.561 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.353 -5.006 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.916 -4.256 -2.011 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.813 -6.011 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.196 -6.412 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.913 -8.224 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.389 -7.426 -1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.597 -8.179 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.218 -8.069 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.722 -10.397 -3.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.198 -9.969 -3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.534 -10.076 -1.973 1.00 0.00 H new ATOM 683 N LEU A 43 -14.207 -4.898 0.054 1.00 0.00 N ATOM 684 CA LEU A 43 -12.735 -4.946 -0.184 1.00 0.00 C ATOM 685 C LEU A 43 -12.067 -5.779 0.913 1.00 0.00 C ATOM 686 O LEU A 43 -11.042 -6.397 0.698 1.00 0.00 O ATOM 687 CB LEU A 43 -12.271 -3.491 -0.118 1.00 0.00 C ATOM 688 CG LEU A 43 -12.444 -2.837 -1.490 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.479 -1.315 -1.329 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.271 -3.226 -2.391 1.00 0.00 C ATOM 0 H LEU A 43 -14.507 -4.250 0.782 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.478 -5.403 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.848 -2.948 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.226 -3.445 0.189 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.377 -3.177 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.602 -0.848 -2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.314 -1.036 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.546 -0.975 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.393 -2.760 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.338 -2.886 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.244 -4.310 -2.506 1.00 0.00 H new ATOM 702 N GLY A 44 -12.654 -5.808 2.085 1.00 0.00 N ATOM 703 CA GLY A 44 -12.072 -6.609 3.200 1.00 0.00 C ATOM 704 C GLY A 44 -12.246 -8.097 2.891 1.00 0.00 C ATOM 705 O GLY A 44 -11.450 -8.921 3.300 1.00 0.00 O ATOM 0 H GLY A 44 -13.513 -5.309 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.015 -6.371 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.565 -6.360 4.139 1.00 0.00 H new ATOM 709 N GLU A 45 -13.284 -8.447 2.166 1.00 0.00 N ATOM 710 CA GLU A 45 -13.519 -9.886 1.818 1.00 0.00 C ATOM 711 C GLU A 45 -12.285 -10.471 1.121 1.00 0.00 C ATOM 712 O GLU A 45 -11.789 -11.517 1.494 1.00 0.00 O ATOM 713 CB GLU A 45 -14.715 -9.881 0.863 1.00 0.00 C ATOM 714 CG GLU A 45 -15.432 -11.229 0.932 1.00 0.00 C ATOM 715 CD GLU A 45 -16.328 -11.270 2.172 1.00 0.00 C ATOM 716 OE1 GLU A 45 -17.309 -10.546 2.192 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.017 -12.024 3.079 1.00 0.00 O ATOM 0 H GLU A 45 -13.979 -7.797 1.800 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.707 -10.494 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.402 -9.078 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.379 -9.688 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.030 -11.381 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.703 -12.039 0.970 1.00 0.00 H new ATOM 724 N MET A 46 -11.785 -9.792 0.120 1.00 0.00 N ATOM 725 CA MET A 46 -10.576 -10.292 -0.599 1.00 0.00 C ATOM 726 C MET A 46 -9.338 -10.088 0.274 1.00 0.00 C ATOM 727 O MET A 46 -8.549 -10.994 0.470 1.00 0.00 O ATOM 728 CB MET A 46 -10.483 -9.447 -1.870 1.00 0.00 C ATOM 729 CG MET A 46 -11.644 -9.797 -2.803 1.00 0.00 C ATOM 730 SD MET A 46 -11.294 -11.363 -3.640 1.00 0.00 S ATOM 731 CE MET A 46 -12.371 -12.407 -2.626 1.00 0.00 C ATOM 0 H MET A 46 -12.163 -8.912 -0.230 1.00 0.00 H new ATOM 0 HA MET A 46 -10.639 -11.355 -0.830 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.513 -8.387 -1.617 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.532 -9.629 -2.371 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.571 -9.875 -2.234 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.787 -9.004 -3.537 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.829 -13.303 -2.324 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.683 -11.855 -1.739 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.250 -12.692 -3.204 1.00 0.00 H new ATOM 741 N TRP A 47 -9.160 -8.899 0.799 1.00 0.00 N ATOM 742 CA TRP A 47 -7.966 -8.618 1.665 1.00 0.00 C ATOM 743 C TRP A 47 -7.840 -9.667 2.779 1.00 0.00 C ATOM 744 O TRP A 47 -6.842 -10.356 2.881 1.00 0.00 O ATOM 745 CB TRP A 47 -8.225 -7.235 2.265 1.00 0.00 C ATOM 746 CG TRP A 47 -6.986 -6.750 2.947 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.860 -6.549 4.280 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.699 -6.403 2.357 1.00 0.00 C ATOM 749 NE1 TRP A 47 -5.579 -6.099 4.544 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.826 -5.993 3.392 1.00 0.00 C ATOM 751 CE3 TRP A 47 -5.212 -6.404 1.038 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -3.513 -5.598 3.127 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.892 -6.007 0.768 1.00 0.00 C ATOM 754 CH2 TRP A 47 -3.045 -5.605 1.811 1.00 0.00 C ATOM 0 H TRP A 47 -9.790 -8.108 0.666 1.00 0.00 H new ATOM 0 HA TRP A 47 -7.037 -8.654 1.096 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.520 -6.536 1.482 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -9.050 -7.283 2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.633 -6.713 5.016 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.233 -5.873 5.476 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.857 -6.712 0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.864 -5.289 3.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.527 -6.011 -0.249 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.031 -5.301 1.597 1.00 0.00 H new ATOM 765 N SER A 48 -8.842 -9.788 3.612 1.00 0.00 N ATOM 766 CA SER A 48 -8.784 -10.790 4.723 1.00 0.00 C ATOM 767 C SER A 48 -8.663 -12.207 4.154 1.00 0.00 C ATOM 768 O SER A 48 -8.032 -13.067 4.742 1.00 0.00 O ATOM 769 CB SER A 48 -10.103 -10.631 5.479 1.00 0.00 C ATOM 770 OG SER A 48 -10.134 -11.547 6.566 1.00 0.00 O ATOM 0 H SER A 48 -9.699 -9.237 3.572 1.00 0.00 H new ATOM 0 HA SER A 48 -7.922 -10.631 5.371 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.204 -9.610 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.944 -10.814 4.810 1.00 0.00 H new ATOM 0 HG SER A 48 -10.978 -11.447 7.054 1.00 0.00 H new ATOM 776 N GLU A 49 -9.264 -12.455 3.018 1.00 0.00 N ATOM 777 CA GLU A 49 -9.190 -13.820 2.405 1.00 0.00 C ATOM 778 C GLU A 49 -7.731 -14.201 2.131 1.00 0.00 C ATOM 779 O GLU A 49 -7.329 -15.332 2.331 1.00 0.00 O ATOM 780 CB GLU A 49 -9.969 -13.714 1.091 1.00 0.00 C ATOM 781 CG GLU A 49 -11.396 -14.228 1.299 1.00 0.00 C ATOM 782 CD GLU A 49 -11.371 -15.744 1.494 1.00 0.00 C ATOM 783 OE1 GLU A 49 -11.163 -16.444 0.517 1.00 0.00 O ATOM 784 OE2 GLU A 49 -11.560 -16.180 2.618 1.00 0.00 O ATOM 0 H GLU A 49 -9.804 -11.772 2.487 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.602 -14.586 3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.990 -12.679 0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.472 -14.294 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.844 -13.747 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.015 -13.972 0.439 1.00 0.00 H new ATOM 791 N GLN A 50 -6.940 -13.263 1.677 1.00 0.00 N ATOM 792 CA GLN A 50 -5.503 -13.559 1.389 1.00 0.00 C ATOM 793 C GLN A 50 -4.773 -13.948 2.676 1.00 0.00 C ATOM 794 O GLN A 50 -5.234 -13.680 3.769 1.00 0.00 O ATOM 795 CB GLN A 50 -4.929 -12.260 0.818 1.00 0.00 C ATOM 796 CG GLN A 50 -5.646 -11.917 -0.490 1.00 0.00 C ATOM 797 CD GLN A 50 -4.658 -11.275 -1.465 1.00 0.00 C ATOM 798 OE1 GLN A 50 -4.727 -10.090 -1.726 1.00 0.00 O ATOM 799 NE2 GLN A 50 -3.733 -12.011 -2.017 1.00 0.00 N ATOM 0 H GLN A 50 -7.228 -12.302 1.493 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.389 -14.391 0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.052 -11.449 1.536 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.859 -12.370 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.072 -12.819 -0.930 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.474 -11.236 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.675 -13.006 -1.798 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.068 -11.592 -2.667 1.00 0.00 H new ATOM 808 N SER A 51 -3.630 -14.567 2.545 1.00 0.00 N ATOM 809 CA SER A 51 -2.846 -14.972 3.747 1.00 0.00 C ATOM 810 C SER A 51 -1.788 -13.902 4.040 1.00 0.00 C ATOM 811 O SER A 51 -2.008 -12.731 3.787 1.00 0.00 O ATOM 812 CB SER A 51 -2.203 -16.305 3.358 1.00 0.00 C ATOM 813 OG SER A 51 -1.204 -16.075 2.373 1.00 0.00 O ATOM 0 H SER A 51 -3.204 -14.811 1.651 1.00 0.00 H new ATOM 0 HA SER A 51 -3.452 -15.074 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.763 -16.779 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.960 -16.988 2.972 1.00 0.00 H new ATOM 0 HG SER A 51 -0.789 -16.927 2.123 1.00 0.00 H new ATOM 819 N ALA A 52 -0.644 -14.281 4.559 1.00 0.00 N ATOM 820 CA ALA A 52 0.417 -13.271 4.850 1.00 0.00 C ATOM 821 C ALA A 52 1.265 -13.021 3.596 1.00 0.00 C ATOM 822 O ALA A 52 2.479 -13.096 3.635 1.00 0.00 O ATOM 823 CB ALA A 52 1.265 -13.895 5.958 1.00 0.00 C ATOM 0 H ALA A 52 -0.402 -15.244 4.792 1.00 0.00 H new ATOM 0 HA ALA A 52 0.002 -12.309 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.070 -13.211 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.641 -14.085 6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.690 -14.834 5.605 1.00 0.00 H new ATOM 829 N LYS A 53 0.633 -12.726 2.484 1.00 0.00 N ATOM 830 CA LYS A 53 1.395 -12.472 1.226 1.00 0.00 C ATOM 831 C LYS A 53 1.014 -11.108 0.646 1.00 0.00 C ATOM 832 O LYS A 53 1.857 -10.357 0.195 1.00 0.00 O ATOM 833 CB LYS A 53 0.967 -13.592 0.276 1.00 0.00 C ATOM 834 CG LYS A 53 2.165 -14.031 -0.570 1.00 0.00 C ATOM 835 CD LYS A 53 3.112 -14.876 0.283 1.00 0.00 C ATOM 836 CE LYS A 53 4.129 -15.575 -0.622 1.00 0.00 C ATOM 837 NZ LYS A 53 5.060 -14.497 -1.057 1.00 0.00 N ATOM 0 H LYS A 53 -0.380 -12.651 2.397 1.00 0.00 H new ATOM 0 HA LYS A 53 2.473 -12.461 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.581 -14.438 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.160 -13.247 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.824 -14.606 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.689 -13.157 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.627 -14.245 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.546 -15.615 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.659 -16.362 -0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.641 -16.044 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.026 -14.406 -2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.776 -13.596 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.028 -14.735 -0.762 1.00 0.00 H new ATOM 851 N ASP A 54 -0.254 -10.791 0.648 1.00 0.00 N ATOM 852 CA ASP A 54 -0.706 -9.479 0.091 1.00 0.00 C ATOM 853 C ASP A 54 -0.105 -8.316 0.887 1.00 0.00 C ATOM 854 O ASP A 54 0.231 -7.287 0.331 1.00 0.00 O ATOM 855 CB ASP A 54 -2.235 -9.486 0.216 1.00 0.00 C ATOM 856 CG ASP A 54 -2.640 -9.671 1.682 1.00 0.00 C ATOM 857 OD1 ASP A 54 -2.608 -10.798 2.148 1.00 0.00 O ATOM 858 OD2 ASP A 54 -2.976 -8.682 2.312 1.00 0.00 O ATOM 0 H ASP A 54 -0.999 -11.385 1.012 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.385 -9.349 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.644 -8.551 -0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.654 -10.289 -0.390 1.00 0.00 H new ATOM 863 N LYS A 55 0.019 -8.463 2.184 1.00 0.00 N ATOM 864 CA LYS A 55 0.584 -7.355 3.013 1.00 0.00 C ATOM 865 C LYS A 55 2.104 -7.486 3.158 1.00 0.00 C ATOM 866 O LYS A 55 2.688 -6.925 4.063 1.00 0.00 O ATOM 867 CB LYS A 55 -0.097 -7.494 4.376 1.00 0.00 C ATOM 868 CG LYS A 55 0.314 -6.326 5.276 1.00 0.00 C ATOM 869 CD LYS A 55 -0.772 -6.087 6.328 1.00 0.00 C ATOM 870 CE LYS A 55 -0.226 -5.174 7.428 1.00 0.00 C ATOM 871 NZ LYS A 55 -0.601 -3.795 7.006 1.00 0.00 N ATOM 0 H LYS A 55 -0.246 -9.301 2.702 1.00 0.00 H new ATOM 0 HA LYS A 55 0.405 -6.382 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.180 -7.508 4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.184 -8.440 4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.265 -6.544 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.461 -5.426 4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.648 -5.632 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.094 -7.036 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.659 -5.422 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.855 -5.277 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.260 -3.111 7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.169 -3.585 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.636 -3.725 6.928 1.00 0.00 H new ATOM 885 N GLN A 56 2.753 -8.221 2.289 1.00 0.00 N ATOM 886 CA GLN A 56 4.238 -8.366 2.403 1.00 0.00 C ATOM 887 C GLN A 56 4.948 -7.326 1.513 1.00 0.00 C ATOM 888 O GLN A 56 5.734 -6.545 2.012 1.00 0.00 O ATOM 889 CB GLN A 56 4.557 -9.795 1.956 1.00 0.00 C ATOM 890 CG GLN A 56 4.820 -10.675 3.180 1.00 0.00 C ATOM 891 CD GLN A 56 5.756 -11.822 2.792 1.00 0.00 C ATOM 892 OE1 GLN A 56 6.801 -11.997 3.387 1.00 0.00 O ATOM 893 NE2 GLN A 56 5.422 -12.617 1.813 1.00 0.00 N ATOM 0 H GLN A 56 2.324 -8.723 1.512 1.00 0.00 H new ATOM 0 HA GLN A 56 4.586 -8.191 3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.726 -10.199 1.378 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.429 -9.795 1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.266 -10.082 3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.881 -11.072 3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.545 -12.470 1.313 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.038 -13.385 1.547 1.00 0.00 H new ATOM 902 N PRO A 57 4.659 -7.331 0.224 1.00 0.00 N ATOM 903 CA PRO A 57 5.304 -6.351 -0.685 1.00 0.00 C ATOM 904 C PRO A 57 4.558 -5.011 -0.650 1.00 0.00 C ATOM 905 O PRO A 57 5.140 -3.961 -0.846 1.00 0.00 O ATOM 906 CB PRO A 57 5.161 -6.987 -2.058 1.00 0.00 C ATOM 907 CG PRO A 57 3.958 -7.869 -1.960 1.00 0.00 C ATOM 908 CD PRO A 57 3.747 -8.222 -0.508 1.00 0.00 C ATOM 0 HA PRO A 57 6.338 -6.142 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.032 -6.229 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.050 -7.561 -2.320 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.080 -7.360 -2.359 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.100 -8.772 -2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.711 -8.064 -0.208 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.978 -9.270 -0.317 1.00 0.00 H new ATOM 916 N TYR A 58 3.268 -5.047 -0.429 1.00 0.00 N ATOM 917 CA TYR A 58 2.464 -3.785 -0.410 1.00 0.00 C ATOM 918 C TYR A 58 2.546 -3.070 0.949 1.00 0.00 C ATOM 919 O TYR A 58 1.918 -2.045 1.144 1.00 0.00 O ATOM 920 CB TYR A 58 1.029 -4.233 -0.687 1.00 0.00 C ATOM 921 CG TYR A 58 0.859 -4.484 -2.167 1.00 0.00 C ATOM 922 CD1 TYR A 58 0.669 -3.408 -3.042 1.00 0.00 C ATOM 923 CD2 TYR A 58 0.892 -5.793 -2.663 1.00 0.00 C ATOM 924 CE1 TYR A 58 0.512 -3.641 -4.414 1.00 0.00 C ATOM 925 CE2 TYR A 58 0.735 -6.026 -4.035 1.00 0.00 C ATOM 926 CZ TYR A 58 0.546 -4.950 -4.910 1.00 0.00 C ATOM 927 OH TYR A 58 0.392 -5.179 -6.262 1.00 0.00 O ATOM 0 H TYR A 58 2.734 -5.900 -0.260 1.00 0.00 H new ATOM 0 HA TYR A 58 2.835 -3.070 -1.145 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.804 -5.140 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.327 -3.469 -0.353 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.643 -2.398 -2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.039 -6.623 -1.988 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.365 -2.811 -5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.760 -7.036 -4.418 1.00 0.00 H new ATOM 0 HH TYR A 58 0.442 -6.142 -6.438 1.00 0.00 H new ATOM 937 N GLU A 59 3.304 -3.588 1.887 1.00 0.00 N ATOM 938 CA GLU A 59 3.403 -2.917 3.220 1.00 0.00 C ATOM 939 C GLU A 59 4.652 -2.023 3.288 1.00 0.00 C ATOM 940 O GLU A 59 4.721 -1.106 4.086 1.00 0.00 O ATOM 941 CB GLU A 59 3.472 -4.058 4.245 1.00 0.00 C ATOM 942 CG GLU A 59 4.795 -4.827 4.108 1.00 0.00 C ATOM 943 CD GLU A 59 5.803 -4.293 5.129 1.00 0.00 C ATOM 944 OE1 GLU A 59 5.592 -4.511 6.310 1.00 0.00 O ATOM 945 OE2 GLU A 59 6.768 -3.674 4.710 1.00 0.00 O ATOM 0 H GLU A 59 3.855 -4.441 1.787 1.00 0.00 H new ATOM 0 HA GLU A 59 2.554 -2.262 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.382 -3.654 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.633 -4.738 4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.627 -5.892 4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.190 -4.716 3.098 1.00 0.00 H new ATOM 952 N GLN A 60 5.633 -2.282 2.458 1.00 0.00 N ATOM 953 CA GLN A 60 6.871 -1.444 2.474 1.00 0.00 C ATOM 954 C GLN A 60 6.654 -0.163 1.659 1.00 0.00 C ATOM 955 O GLN A 60 7.308 0.839 1.884 1.00 0.00 O ATOM 956 CB GLN A 60 7.971 -2.316 1.852 1.00 0.00 C ATOM 957 CG GLN A 60 7.585 -2.725 0.429 1.00 0.00 C ATOM 958 CD GLN A 60 8.841 -3.143 -0.339 1.00 0.00 C ATOM 959 OE1 GLN A 60 9.044 -4.312 -0.605 1.00 0.00 O ATOM 960 NE2 GLN A 60 9.699 -2.232 -0.708 1.00 0.00 N ATOM 0 H GLN A 60 5.629 -3.036 1.771 1.00 0.00 H new ATOM 0 HA GLN A 60 7.141 -1.132 3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.913 -1.768 1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.129 -3.205 2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.871 -3.549 0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.094 -1.895 -0.079 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.529 -1.251 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.540 -2.501 -1.219 1.00 0.00 H new ATOM 969 N LYS A 61 5.740 -0.188 0.720 1.00 0.00 N ATOM 970 CA LYS A 61 5.477 1.029 -0.107 1.00 0.00 C ATOM 971 C LYS A 61 4.967 2.163 0.785 1.00 0.00 C ATOM 972 O LYS A 61 5.406 3.293 0.677 1.00 0.00 O ATOM 973 CB LYS A 61 4.400 0.611 -1.112 1.00 0.00 C ATOM 974 CG LYS A 61 4.095 1.777 -2.055 1.00 0.00 C ATOM 975 CD LYS A 61 3.255 1.275 -3.230 1.00 0.00 C ATOM 976 CE LYS A 61 2.783 2.467 -4.068 1.00 0.00 C ATOM 977 NZ LYS A 61 1.661 1.937 -4.892 1.00 0.00 N ATOM 0 H LYS A 61 5.165 -0.999 0.491 1.00 0.00 H new ATOM 0 HA LYS A 61 6.375 1.390 -0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.738 -0.253 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.494 0.310 -0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.559 2.561 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.023 2.217 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.842 0.594 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.397 0.713 -2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.453 3.290 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.587 2.851 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.284 2.696 -5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.007 1.160 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.908 1.584 -4.267 1.00 0.00 H new ATOM 991 N ALA A 62 4.048 1.865 1.669 1.00 0.00 N ATOM 992 CA ALA A 62 3.509 2.921 2.578 1.00 0.00 C ATOM 993 C ALA A 62 4.529 3.276 3.667 1.00 0.00 C ATOM 994 O ALA A 62 4.363 4.248 4.381 1.00 0.00 O ATOM 995 CB ALA A 62 2.253 2.314 3.203 1.00 0.00 C ATOM 0 H ALA A 62 3.648 0.936 1.800 1.00 0.00 H new ATOM 0 HA ALA A 62 3.293 3.843 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.801 3.035 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.541 2.062 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.520 1.412 3.753 1.00 0.00 H new ATOM 1001 N ALA A 63 5.589 2.511 3.793 1.00 0.00 N ATOM 1002 CA ALA A 63 6.620 2.825 4.825 1.00 0.00 C ATOM 1003 C ALA A 63 7.638 3.838 4.274 1.00 0.00 C ATOM 1004 O ALA A 63 8.565 4.224 4.960 1.00 0.00 O ATOM 1005 CB ALA A 63 7.300 1.490 5.123 1.00 0.00 C ATOM 0 H ALA A 63 5.781 1.686 3.225 1.00 0.00 H new ATOM 0 HA ALA A 63 6.185 3.271 5.719 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.074 1.636 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.561 0.780 5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.750 1.099 4.210 1.00 0.00 H new ATOM 1011 N LYS A 64 7.469 4.278 3.046 1.00 0.00 N ATOM 1012 CA LYS A 64 8.412 5.269 2.454 1.00 0.00 C ATOM 1013 C LYS A 64 7.751 6.644 2.393 1.00 0.00 C ATOM 1014 O LYS A 64 8.401 7.667 2.496 1.00 0.00 O ATOM 1015 CB LYS A 64 8.668 4.755 1.042 1.00 0.00 C ATOM 1016 CG LYS A 64 9.581 3.531 1.095 1.00 0.00 C ATOM 1017 CD LYS A 64 11.009 3.966 1.438 1.00 0.00 C ATOM 1018 CE LYS A 64 11.813 4.163 0.148 1.00 0.00 C ATOM 1019 NZ LYS A 64 11.938 5.639 -0.008 1.00 0.00 N ATOM 0 H LYS A 64 6.711 3.987 2.429 1.00 0.00 H new ATOM 0 HA LYS A 64 9.328 5.373 3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.724 4.496 0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.128 5.537 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.216 2.825 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.569 3.014 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.989 4.893 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.488 3.214 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.792 3.689 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.303 3.718 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.823 5.893 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.203 6.111 0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.876 5.945 0.321 1.00 0.00 H new ATOM 1033 N LEU A 65 6.455 6.663 2.241 1.00 0.00 N ATOM 1034 CA LEU A 65 5.715 7.955 2.186 1.00 0.00 C ATOM 1035 C LEU A 65 5.428 8.469 3.606 1.00 0.00 C ATOM 1036 O LEU A 65 4.962 9.578 3.783 1.00 0.00 O ATOM 1037 CB LEU A 65 4.410 7.634 1.457 1.00 0.00 C ATOM 1038 CG LEU A 65 4.663 7.604 -0.051 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.252 6.248 -0.444 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.342 7.820 -0.793 1.00 0.00 C ATOM 0 H LEU A 65 5.872 5.831 2.152 1.00 0.00 H new ATOM 0 HA LEU A 65 6.285 8.734 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.022 6.672 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.654 8.383 1.695 1.00 0.00 H new ATOM 0 HG LEU A 65 5.364 8.395 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.432 6.227 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.193 6.093 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.552 5.456 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.521 7.799 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.641 7.029 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.922 8.786 -0.514 1.00 0.00 H new ATOM 1052 N LYS A 66 5.718 7.680 4.619 1.00 0.00 N ATOM 1053 CA LYS A 66 5.477 8.135 6.019 1.00 0.00 C ATOM 1054 C LYS A 66 6.636 9.027 6.472 1.00 0.00 C ATOM 1055 O LYS A 66 6.470 9.898 7.303 1.00 0.00 O ATOM 1056 CB LYS A 66 5.423 6.856 6.855 1.00 0.00 C ATOM 1057 CG LYS A 66 4.666 7.128 8.155 1.00 0.00 C ATOM 1058 CD LYS A 66 4.085 5.819 8.692 1.00 0.00 C ATOM 1059 CE LYS A 66 5.212 4.957 9.265 1.00 0.00 C ATOM 1060 NZ LYS A 66 4.527 3.782 9.874 1.00 0.00 N ATOM 0 H LYS A 66 6.111 6.743 4.531 1.00 0.00 H new ATOM 0 HA LYS A 66 4.560 8.715 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.930 6.063 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.433 6.510 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.336 7.570 8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.866 7.848 7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.344 6.027 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.572 5.282 7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.908 4.648 8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.790 5.506 10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.236 3.144 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.876 4.106 10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.991 3.275 9.141 1.00 0.00 H new ATOM 1074 N GLU A 67 7.804 8.824 5.911 1.00 0.00 N ATOM 1075 CA GLU A 67 8.976 9.669 6.285 1.00 0.00 C ATOM 1076 C GLU A 67 8.989 10.965 5.454 1.00 0.00 C ATOM 1077 O GLU A 67 9.786 11.852 5.696 1.00 0.00 O ATOM 1078 CB GLU A 67 10.199 8.811 5.963 1.00 0.00 C ATOM 1079 CG GLU A 67 10.409 7.784 7.077 1.00 0.00 C ATOM 1080 CD GLU A 67 11.690 6.992 6.808 1.00 0.00 C ATOM 1081 OE1 GLU A 67 11.723 6.275 5.822 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.616 7.118 7.593 1.00 0.00 O ATOM 0 H GLU A 67 7.994 8.108 5.210 1.00 0.00 H new ATOM 0 HA GLU A 67 8.951 9.968 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.060 8.304 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.083 9.441 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.476 8.287 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.555 7.108 7.128 1.00 0.00 H new ATOM 1089 N LYS A 68 8.101 11.087 4.494 1.00 0.00 N ATOM 1090 CA LYS A 68 8.044 12.326 3.668 1.00 0.00 C ATOM 1091 C LYS A 68 6.832 13.152 4.098 1.00 0.00 C ATOM 1092 O LYS A 68 6.864 14.366 4.113 1.00 0.00 O ATOM 1093 CB LYS A 68 7.885 11.841 2.226 1.00 0.00 C ATOM 1094 CG LYS A 68 9.212 11.256 1.737 1.00 0.00 C ATOM 1095 CD LYS A 68 10.227 12.385 1.543 1.00 0.00 C ATOM 1096 CE LYS A 68 11.482 11.833 0.865 1.00 0.00 C ATOM 1097 NZ LYS A 68 12.299 11.267 1.973 1.00 0.00 N ATOM 0 H LYS A 68 7.412 10.375 4.250 1.00 0.00 H new ATOM 0 HA LYS A 68 8.929 12.953 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.100 11.087 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.581 12.668 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.591 10.532 2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.062 10.722 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.792 13.179 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.485 12.826 2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.230 11.069 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.023 12.618 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.179 10.868 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.529 12.019 2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.761 10.518 2.453 1.00 0.00 H new ATOM 1111 N TYR A 69 5.766 12.486 4.459 1.00 0.00 N ATOM 1112 CA TYR A 69 4.534 13.202 4.909 1.00 0.00 C ATOM 1113 C TYR A 69 4.744 13.735 6.331 1.00 0.00 C ATOM 1114 O TYR A 69 4.624 14.918 6.583 1.00 0.00 O ATOM 1115 CB TYR A 69 3.429 12.133 4.875 1.00 0.00 C ATOM 1116 CG TYR A 69 2.134 12.685 5.434 1.00 0.00 C ATOM 1117 CD1 TYR A 69 1.552 13.826 4.871 1.00 0.00 C ATOM 1118 CD2 TYR A 69 1.516 12.049 6.519 1.00 0.00 C ATOM 1119 CE1 TYR A 69 0.354 14.331 5.389 1.00 0.00 C ATOM 1120 CE2 TYR A 69 0.319 12.555 7.039 1.00 0.00 C ATOM 1121 CZ TYR A 69 -0.262 13.695 6.474 1.00 0.00 C ATOM 1122 OH TYR A 69 -1.443 14.194 6.985 1.00 0.00 O ATOM 0 H TYR A 69 5.695 11.468 4.461 1.00 0.00 H new ATOM 0 HA TYR A 69 4.282 14.058 4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.274 11.795 3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.739 11.263 5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.028 14.318 4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.964 11.168 6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.095 15.211 4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.156 12.065 7.876 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.737 13.635 7.734 1.00 0.00 H new ATOM 1132 N GLU A 70 5.055 12.864 7.256 1.00 0.00 N ATOM 1133 CA GLU A 70 5.270 13.303 8.671 1.00 0.00 C ATOM 1134 C GLU A 70 6.378 14.362 8.762 1.00 0.00 C ATOM 1135 O GLU A 70 6.470 15.082 9.738 1.00 0.00 O ATOM 1136 CB GLU A 70 5.682 12.038 9.426 1.00 0.00 C ATOM 1137 CG GLU A 70 4.461 11.135 9.616 1.00 0.00 C ATOM 1138 CD GLU A 70 4.751 10.109 10.713 1.00 0.00 C ATOM 1139 OE1 GLU A 70 5.198 10.515 11.774 1.00 0.00 O ATOM 1140 OE2 GLU A 70 4.520 8.935 10.474 1.00 0.00 O ATOM 0 H GLU A 70 5.170 11.864 7.093 1.00 0.00 H new ATOM 0 HA GLU A 70 4.372 13.759 9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.457 11.508 8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.106 12.302 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.591 11.734 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.222 10.627 8.682 1.00 0.00 H new ATOM 1147 N LYS A 71 7.226 14.453 7.765 1.00 0.00 N ATOM 1148 CA LYS A 71 8.334 15.456 7.812 1.00 0.00 C ATOM 1149 C LYS A 71 8.022 16.672 6.931 1.00 0.00 C ATOM 1150 O LYS A 71 8.547 17.748 7.149 1.00 0.00 O ATOM 1151 CB LYS A 71 9.557 14.713 7.278 1.00 0.00 C ATOM 1152 CG LYS A 71 10.126 13.809 8.373 1.00 0.00 C ATOM 1153 CD LYS A 71 10.905 14.655 9.382 1.00 0.00 C ATOM 1154 CE LYS A 71 11.815 13.750 10.215 1.00 0.00 C ATOM 1155 NZ LYS A 71 10.892 13.002 11.113 1.00 0.00 N ATOM 0 H LYS A 71 7.198 13.877 6.924 1.00 0.00 H new ATOM 0 HA LYS A 71 8.486 15.841 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.282 14.118 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.314 15.426 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.318 13.277 8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.779 13.055 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.500 15.405 8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.214 15.191 10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.385 13.071 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.536 14.334 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.441 12.529 11.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.217 13.664 11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.373 12.290 10.561 1.00 0.00 H new ATOM 1169 N ASP A 72 7.189 16.510 5.932 1.00 0.00 N ATOM 1170 CA ASP A 72 6.868 17.662 5.031 1.00 0.00 C ATOM 1171 C ASP A 72 5.540 18.319 5.419 1.00 0.00 C ATOM 1172 O ASP A 72 5.392 19.524 5.325 1.00 0.00 O ATOM 1173 CB ASP A 72 6.769 17.053 3.632 1.00 0.00 C ATOM 1174 CG ASP A 72 6.691 18.172 2.592 1.00 0.00 C ATOM 1175 OD1 ASP A 72 7.737 18.612 2.145 1.00 0.00 O ATOM 1176 OD2 ASP A 72 5.586 18.570 2.260 1.00 0.00 O ATOM 0 H ASP A 72 6.719 15.634 5.702 1.00 0.00 H new ATOM 0 HA ASP A 72 7.626 18.443 5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.635 16.421 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.887 16.416 3.563 1.00 0.00 H new ATOM 1181 N ILE A 73 4.571 17.545 5.842 1.00 0.00 N ATOM 1182 CA ILE A 73 3.252 18.139 6.219 1.00 0.00 C ATOM 1183 C ILE A 73 3.374 18.945 7.523 1.00 0.00 C ATOM 1184 O ILE A 73 2.621 19.871 7.762 1.00 0.00 O ATOM 1185 CB ILE A 73 2.289 16.940 6.357 1.00 0.00 C ATOM 1186 CG1 ILE A 73 0.847 17.445 6.271 1.00 0.00 C ATOM 1187 CG2 ILE A 73 2.494 16.205 7.691 1.00 0.00 C ATOM 1188 CD1 ILE A 73 0.467 17.640 4.801 1.00 0.00 C ATOM 0 H ILE A 73 4.636 16.532 5.942 1.00 0.00 H new ATOM 0 HA ILE A 73 2.885 18.845 5.474 1.00 0.00 H new ATOM 0 HB ILE A 73 2.496 16.238 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.171 16.731 6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.746 18.385 6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.800 15.367 7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.517 15.834 7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.310 16.892 8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.560 18.000 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.137 18.369 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.553 16.690 4.274 1.00 0.00 H new