USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 490 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 28 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0.999 USER MOD Set 2.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 56 SER OG : rot 74:sc= 1.15 USER MOD Set 3.1: A 39 HIS : no HE2:sc= -3.6 X(o=-4.2,f=-4!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.588 X(o=-4.2,f=-4) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 30:sc= 0.845 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00793 USER MOD Single : A 23 THR OG1 : rot -71:sc= 0.902 USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0319) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 177:sc= -3.26! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0014 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0214 (180deg=-0.233) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0505) USER MOD Single : A 63 SER OG : rot -36:sc= 0.414 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -149:sc= 0.338 USER MOD ----------------------------------------------------------------- ATOM 147 N LYS A 11 -3.514 -5.430 -2.585 1.00 0.00 N ATOM 148 CA LYS A 11 -2.854 -4.180 -2.265 1.00 0.00 C ATOM 149 C LYS A 11 -3.013 -3.795 -0.817 1.00 0.00 C ATOM 150 O LYS A 11 -2.078 -3.331 -0.208 1.00 0.00 O ATOM 151 CB LYS A 11 -3.418 -3.054 -3.118 1.00 0.00 C ATOM 152 CG LYS A 11 -3.122 -3.174 -4.599 1.00 0.00 C ATOM 153 CD LYS A 11 -3.717 -2.014 -5.378 1.00 0.00 C ATOM 154 CE LYS A 11 -3.417 -2.133 -6.862 1.00 0.00 C ATOM 155 NZ LYS A 11 -3.994 -1.006 -7.635 1.00 0.00 N ATOM 0 HA LYS A 11 -1.794 -4.332 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.498 -3.017 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.018 -2.107 -2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.044 -3.204 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.525 -4.113 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.796 -1.985 -5.224 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.316 -1.074 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.338 -2.162 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.817 -3.074 -7.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.767 -1.124 -8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.027 -0.993 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.593 -0.109 -7.293 1.00 0.00 H new ATOM 169 N PHE A 12 -4.177 -4.007 -0.255 1.00 0.00 N ATOM 170 CA PHE A 12 -4.403 -3.604 1.115 1.00 0.00 C ATOM 171 C PHE A 12 -3.596 -4.444 2.088 1.00 0.00 C ATOM 172 O PHE A 12 -3.113 -3.933 3.102 1.00 0.00 O ATOM 173 CB PHE A 12 -5.882 -3.572 1.474 1.00 0.00 C ATOM 174 CG PHE A 12 -6.575 -2.327 0.985 1.00 0.00 C ATOM 175 CD1 PHE A 12 -7.701 -2.396 0.188 1.00 0.00 C ATOM 176 CD2 PHE A 12 -6.088 -1.080 1.337 1.00 0.00 C ATOM 177 CE1 PHE A 12 -8.332 -1.242 -0.240 1.00 0.00 C ATOM 178 CE2 PHE A 12 -6.706 0.070 0.912 1.00 0.00 C ATOM 179 CZ PHE A 12 -7.829 -0.006 0.126 1.00 0.00 C ATOM 0 H PHE A 12 -4.973 -4.449 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.045 -2.579 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.373 -4.447 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.990 -3.641 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.092 -3.360 -0.104 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.206 -1.010 1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.215 -1.305 -0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.309 1.033 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.319 0.897 -0.206 1.00 0.00 H new ATOM 189 N TYR A 13 -3.420 -5.724 1.771 1.00 0.00 N ATOM 190 CA TYR A 13 -2.608 -6.577 2.620 1.00 0.00 C ATOM 191 C TYR A 13 -1.155 -6.152 2.471 1.00 0.00 C ATOM 192 O TYR A 13 -0.420 -6.013 3.450 1.00 0.00 O ATOM 193 CB TYR A 13 -2.744 -8.053 2.220 1.00 0.00 C ATOM 194 CG TYR A 13 -4.135 -8.634 2.364 1.00 0.00 C ATOM 195 CD1 TYR A 13 -4.998 -8.684 1.282 1.00 0.00 C ATOM 196 CD2 TYR A 13 -4.574 -9.152 3.575 1.00 0.00 C ATOM 197 CE1 TYR A 13 -6.257 -9.233 1.398 1.00 0.00 C ATOM 198 CE2 TYR A 13 -5.836 -9.701 3.699 1.00 0.00 C ATOM 199 CZ TYR A 13 -6.672 -9.738 2.606 1.00 0.00 C ATOM 200 OH TYR A 13 -7.930 -10.289 2.719 1.00 0.00 O ATOM 0 H TYR A 13 -3.820 -6.181 0.952 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.944 -6.474 3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.427 -8.163 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.057 -8.642 2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.679 -8.286 0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.919 -9.125 4.433 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.915 -9.266 0.542 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.165 -10.099 4.648 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.196 -10.676 1.859 1.00 0.00 H new ATOM 210 N ASP A 14 -0.771 -5.917 1.218 1.00 0.00 N ATOM 211 CA ASP A 14 0.585 -5.503 0.864 1.00 0.00 C ATOM 212 C ASP A 14 0.953 -4.181 1.535 1.00 0.00 C ATOM 213 O ASP A 14 2.056 -4.026 2.062 1.00 0.00 O ATOM 214 CB ASP A 14 0.693 -5.334 -0.652 1.00 0.00 C ATOM 215 CG ASP A 14 2.127 -5.372 -1.130 1.00 0.00 C ATOM 216 OD1 ASP A 14 2.771 -4.309 -1.201 1.00 0.00 O ATOM 217 OD2 ASP A 14 2.621 -6.483 -1.436 1.00 0.00 O ATOM 0 H ASP A 14 -1.395 -6.009 0.416 1.00 0.00 H new ATOM 0 HA ASP A 14 1.272 -6.275 1.209 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.126 -6.124 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.240 -4.387 -0.944 1.00 0.00 H new ATOM 222 N ILE A 15 0.018 -3.241 1.507 1.00 0.00 N ATOM 223 CA ILE A 15 0.215 -1.920 2.096 1.00 0.00 C ATOM 224 C ILE A 15 0.468 -2.000 3.604 1.00 0.00 C ATOM 225 O ILE A 15 1.425 -1.400 4.112 1.00 0.00 O ATOM 226 CB ILE A 15 -0.993 -0.986 1.793 1.00 0.00 C ATOM 227 CG1 ILE A 15 -1.010 -0.615 0.302 1.00 0.00 C ATOM 228 CG2 ILE A 15 -0.962 0.265 2.665 1.00 0.00 C ATOM 229 CD1 ILE A 15 -2.271 0.097 -0.139 1.00 0.00 C ATOM 0 H ILE A 15 -0.898 -3.371 1.076 1.00 0.00 H new ATOM 0 HA ILE A 15 1.105 -1.493 1.634 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.910 -1.525 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.151 0.021 0.086 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.891 -1.523 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.819 0.895 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.003 -0.023 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.042 0.818 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.207 0.325 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.133 -0.544 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.382 1.023 0.425 1.00 0.00 H new ATOM 241 N LEU A 16 -0.375 -2.739 4.313 1.00 0.00 N ATOM 242 CA LEU A 16 -0.180 -2.931 5.749 1.00 0.00 C ATOM 243 C LEU A 16 1.061 -3.770 6.060 1.00 0.00 C ATOM 244 O LEU A 16 1.660 -3.630 7.127 1.00 0.00 O ATOM 245 CB LEU A 16 -1.417 -3.541 6.421 1.00 0.00 C ATOM 246 CG LEU A 16 -2.665 -2.655 6.494 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.799 -3.405 7.167 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.362 -1.365 7.244 1.00 0.00 C ATOM 0 H LEU A 16 -1.192 -3.211 3.926 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.023 -1.936 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.679 -4.455 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.145 -3.831 7.436 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.969 -2.398 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.681 -2.766 7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.031 -4.303 6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.501 -3.686 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.260 -0.749 7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.037 -1.601 8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.572 -0.820 6.727 1.00 0.00 H new ATOM 260 N GLY A 17 1.449 -4.628 5.134 1.00 0.00 N ATOM 261 CA GLY A 17 2.593 -5.485 5.371 1.00 0.00 C ATOM 262 C GLY A 17 2.171 -6.811 5.946 1.00 0.00 C ATOM 263 O GLY A 17 2.980 -7.554 6.500 1.00 0.00 O ATOM 0 H GLY A 17 0.998 -4.748 4.227 1.00 0.00 H new ATOM 0 HA2 GLY A 17 3.130 -5.646 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.284 -4.992 6.055 1.00 0.00 H new ATOM 267 N VAL A 18 0.891 -7.091 5.826 1.00 0.00 N ATOM 268 CA VAL A 18 0.315 -8.325 6.310 1.00 0.00 C ATOM 269 C VAL A 18 0.097 -9.289 5.157 1.00 0.00 C ATOM 270 O VAL A 18 -0.021 -8.871 4.001 1.00 0.00 O ATOM 271 CB VAL A 18 -1.036 -8.090 7.032 1.00 0.00 C ATOM 272 CG1 VAL A 18 -0.833 -7.282 8.285 1.00 0.00 C ATOM 273 CG2 VAL A 18 -2.039 -7.407 6.112 1.00 0.00 C ATOM 0 H VAL A 18 0.217 -6.464 5.387 1.00 0.00 H new ATOM 0 HA VAL A 18 1.019 -8.748 7.027 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.442 -9.063 7.309 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.793 -7.127 8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.162 -7.816 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.397 -6.316 8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.977 -7.255 6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.643 -6.443 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.216 -8.033 5.238 1.00 0.00 H new ATOM 283 N PRO A 19 0.077 -10.587 5.436 1.00 0.00 N ATOM 284 CA PRO A 19 -0.204 -11.594 4.421 1.00 0.00 C ATOM 285 C PRO A 19 -1.671 -11.573 4.043 1.00 0.00 C ATOM 286 O PRO A 19 -2.487 -11.019 4.765 1.00 0.00 O ATOM 287 CB PRO A 19 0.126 -12.908 5.130 1.00 0.00 C ATOM 288 CG PRO A 19 -0.100 -12.618 6.568 1.00 0.00 C ATOM 289 CD PRO A 19 0.318 -11.190 6.767 1.00 0.00 C ATOM 0 HA PRO A 19 0.361 -11.438 3.502 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.514 -13.719 4.783 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.156 -13.213 4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.147 -12.760 6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.484 -13.288 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.270 -10.702 7.544 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.364 -11.113 7.062 1.00 0.00 H new ATOM 297 N VAL A 20 -2.010 -12.148 2.913 1.00 0.00 N ATOM 298 CA VAL A 20 -3.402 -12.277 2.526 1.00 0.00 C ATOM 299 C VAL A 20 -4.119 -13.109 3.593 1.00 0.00 C ATOM 300 O VAL A 20 -5.274 -12.867 3.934 1.00 0.00 O ATOM 301 CB VAL A 20 -3.543 -12.961 1.148 1.00 0.00 C ATOM 302 CG1 VAL A 20 -5.006 -13.211 0.805 1.00 0.00 C ATOM 303 CG2 VAL A 20 -2.873 -12.126 0.073 1.00 0.00 C ATOM 0 H VAL A 20 -1.344 -12.535 2.244 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.845 -11.284 2.447 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.044 -13.929 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.074 -13.693 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.452 -13.857 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.541 -12.262 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.981 -12.621 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.342 -11.143 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.814 -12.013 0.307 1.00 0.00 H new ATOM 313 N THR A 21 -3.385 -14.076 4.125 1.00 0.00 N ATOM 314 CA THR A 21 -3.881 -14.976 5.155 1.00 0.00 C ATOM 315 C THR A 21 -3.713 -14.338 6.559 1.00 0.00 C ATOM 316 O THR A 21 -3.641 -15.041 7.572 1.00 0.00 O ATOM 317 CB THR A 21 -3.085 -16.292 5.111 1.00 0.00 C ATOM 318 OG1 THR A 21 -2.668 -16.550 3.759 1.00 0.00 O ATOM 319 CG2 THR A 21 -3.932 -17.459 5.603 1.00 0.00 C ATOM 0 H THR A 21 -2.420 -14.259 3.851 1.00 0.00 H new ATOM 0 HA THR A 21 -4.938 -15.167 4.971 1.00 0.00 H new ATOM 0 HB THR A 21 -2.217 -16.192 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.159 -17.387 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.346 -18.377 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.244 -17.274 6.631 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.813 -17.562 4.969 1.00 0.00 H new ATOM 327 N ALA A 22 -3.641 -13.009 6.603 1.00 0.00 N ATOM 328 CA ALA A 22 -3.432 -12.274 7.851 1.00 0.00 C ATOM 329 C ALA A 22 -4.565 -12.443 8.832 1.00 0.00 C ATOM 330 O ALA A 22 -5.724 -12.591 8.454 1.00 0.00 O ATOM 331 CB ALA A 22 -3.226 -10.800 7.580 1.00 0.00 C ATOM 0 H ALA A 22 -3.725 -12.413 5.780 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.536 -12.700 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.073 -10.275 8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.351 -10.666 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.105 -10.396 7.078 1.00 0.00 H new ATOM 337 N THR A 23 -4.208 -12.420 10.090 1.00 0.00 N ATOM 338 CA THR A 23 -5.158 -12.481 11.172 1.00 0.00 C ATOM 339 C THR A 23 -5.497 -11.060 11.633 1.00 0.00 C ATOM 340 O THR A 23 -4.781 -10.112 11.287 1.00 0.00 O ATOM 341 CB THR A 23 -4.581 -13.291 12.351 1.00 0.00 C ATOM 342 OG1 THR A 23 -3.315 -12.735 12.753 1.00 0.00 O ATOM 343 CG2 THR A 23 -4.397 -14.750 11.964 1.00 0.00 C ATOM 0 H THR A 23 -3.237 -12.358 10.396 1.00 0.00 H new ATOM 0 HA THR A 23 -6.063 -12.977 10.821 1.00 0.00 H new ATOM 0 HB THR A 23 -5.284 -13.237 13.182 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.642 -12.922 12.065 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.989 -15.302 12.811 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.360 -15.176 11.683 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.710 -14.819 11.121 1.00 0.00 H new ATOM 351 N ASP A 24 -6.558 -10.912 12.427 1.00 0.00 N ATOM 352 CA ASP A 24 -6.989 -9.603 12.915 1.00 0.00 C ATOM 353 C ASP A 24 -5.870 -8.935 13.690 1.00 0.00 C ATOM 354 O ASP A 24 -5.658 -7.734 13.571 1.00 0.00 O ATOM 355 CB ASP A 24 -8.208 -9.744 13.840 1.00 0.00 C ATOM 356 CG ASP A 24 -9.468 -10.196 13.132 1.00 0.00 C ATOM 357 OD1 ASP A 24 -9.452 -11.284 12.506 1.00 0.00 O ATOM 358 OD2 ASP A 24 -10.495 -9.490 13.236 1.00 0.00 O ATOM 0 H ASP A 24 -7.137 -11.688 12.747 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.255 -8.996 12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.972 -10.457 14.630 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.398 -8.785 14.322 1.00 0.00 H new ATOM 363 N VAL A 25 -5.137 -9.725 14.467 1.00 0.00 N ATOM 364 CA VAL A 25 -4.040 -9.205 15.279 1.00 0.00 C ATOM 365 C VAL A 25 -2.962 -8.573 14.395 1.00 0.00 C ATOM 366 O VAL A 25 -2.506 -7.458 14.655 1.00 0.00 O ATOM 367 CB VAL A 25 -3.406 -10.324 16.141 1.00 0.00 C ATOM 368 CG1 VAL A 25 -2.144 -9.832 16.835 1.00 0.00 C ATOM 369 CG2 VAL A 25 -4.405 -10.844 17.160 1.00 0.00 C ATOM 0 H VAL A 25 -5.282 -10.731 14.552 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.455 -8.443 15.939 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.129 -11.143 15.477 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.720 -10.638 17.433 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.418 -9.515 16.087 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.389 -8.990 17.482 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.941 -11.630 17.756 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.716 -10.029 17.813 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.276 -11.247 16.643 1.00 0.00 H new ATOM 379 N GLU A 26 -2.576 -9.286 13.337 1.00 0.00 N ATOM 380 CA GLU A 26 -1.580 -8.792 12.384 1.00 0.00 C ATOM 381 C GLU A 26 -2.075 -7.538 11.726 1.00 0.00 C ATOM 382 O GLU A 26 -1.328 -6.590 11.531 1.00 0.00 O ATOM 383 CB GLU A 26 -1.319 -9.858 11.330 1.00 0.00 C ATOM 384 CG GLU A 26 -0.630 -11.078 11.879 1.00 0.00 C ATOM 385 CD GLU A 26 -0.508 -12.169 10.860 1.00 0.00 C ATOM 386 OE1 GLU A 26 0.573 -12.320 10.273 1.00 0.00 O ATOM 387 OE2 GLU A 26 -1.505 -12.893 10.649 1.00 0.00 O ATOM 0 H GLU A 26 -2.940 -10.213 13.117 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.654 -8.569 12.914 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.267 -10.155 10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.709 -9.431 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.363 -10.803 12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.185 -11.449 12.741 1.00 0.00 H new ATOM 394 N ILE A 27 -3.339 -7.541 11.418 1.00 0.00 N ATOM 395 CA ILE A 27 -3.992 -6.428 10.789 1.00 0.00 C ATOM 396 C ILE A 27 -3.965 -5.186 11.694 1.00 0.00 C ATOM 397 O ILE A 27 -3.649 -4.081 11.244 1.00 0.00 O ATOM 398 CB ILE A 27 -5.440 -6.819 10.416 1.00 0.00 C ATOM 399 CG1 ILE A 27 -5.405 -7.850 9.276 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.252 -5.592 10.022 1.00 0.00 C ATOM 401 CD1 ILE A 27 -6.731 -8.522 9.007 1.00 0.00 C ATOM 0 H ILE A 27 -3.957 -8.332 11.600 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.453 -6.172 9.877 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.928 -7.263 11.284 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.070 -7.356 8.364 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.665 -8.614 9.515 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.267 -5.895 9.764 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.283 -4.893 10.857 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.788 -5.109 9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.619 -9.234 8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -7.061 -9.048 9.903 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.471 -7.770 8.735 1.00 0.00 H new ATOM 413 N LYS A 28 -4.273 -5.386 12.970 1.00 0.00 N ATOM 414 CA LYS A 28 -4.289 -4.305 13.945 1.00 0.00 C ATOM 415 C LYS A 28 -2.902 -3.688 14.105 1.00 0.00 C ATOM 416 O LYS A 28 -2.742 -2.476 14.025 1.00 0.00 O ATOM 417 CB LYS A 28 -4.742 -4.852 15.309 1.00 0.00 C ATOM 418 CG LYS A 28 -6.191 -5.321 15.370 1.00 0.00 C ATOM 419 CD LYS A 28 -7.170 -4.166 15.308 1.00 0.00 C ATOM 420 CE LYS A 28 -7.090 -3.308 16.563 1.00 0.00 C ATOM 421 NZ LYS A 28 -8.153 -2.280 16.609 1.00 0.00 N ATOM 0 H LYS A 28 -4.517 -6.298 13.356 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.979 -3.539 13.590 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.095 -5.686 15.581 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.596 -4.076 16.061 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.385 -6.004 14.543 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.351 -5.882 16.291 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.959 -3.553 14.432 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.183 -4.551 15.191 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.167 -3.947 17.443 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.115 -2.822 16.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.855 -1.500 17.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.324 -1.914 15.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.028 -2.702 16.979 1.00 0.00 H new ATOM 435 N LYS A 29 -1.902 -4.541 14.288 1.00 0.00 N ATOM 436 CA LYS A 29 -0.543 -4.073 14.514 1.00 0.00 C ATOM 437 C LYS A 29 0.086 -3.487 13.266 1.00 0.00 C ATOM 438 O LYS A 29 0.880 -2.560 13.347 1.00 0.00 O ATOM 439 CB LYS A 29 0.331 -5.157 15.157 1.00 0.00 C ATOM 440 CG LYS A 29 0.467 -6.442 14.361 1.00 0.00 C ATOM 441 CD LYS A 29 1.331 -7.443 15.123 1.00 0.00 C ATOM 442 CE LYS A 29 1.437 -8.783 14.412 1.00 0.00 C ATOM 443 NZ LYS A 29 2.101 -8.670 13.091 1.00 0.00 N ATOM 0 H LYS A 29 -2.007 -5.556 14.284 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.608 -3.253 15.229 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.327 -4.746 15.323 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.082 -5.399 16.137 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.518 -6.869 14.174 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.913 -6.231 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.330 -7.027 15.258 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.912 -7.596 16.118 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.994 -9.480 15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.439 -9.201 14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.211 -9.617 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.521 -8.080 12.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.037 -8.233 13.209 1.00 0.00 H new ATOM 457 N ALA A 30 -0.257 -4.030 12.122 1.00 0.00 N ATOM 458 CA ALA A 30 0.208 -3.497 10.855 1.00 0.00 C ATOM 459 C ALA A 30 -0.335 -2.112 10.648 1.00 0.00 C ATOM 460 O ALA A 30 0.369 -1.219 10.187 1.00 0.00 O ATOM 461 CB ALA A 30 -0.192 -4.392 9.716 1.00 0.00 C ATOM 0 H ALA A 30 -0.861 -4.847 12.039 1.00 0.00 H new ATOM 0 HA ALA A 30 1.297 -3.450 10.881 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.168 -3.970 8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.243 -5.381 9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.278 -4.475 9.683 1.00 0.00 H new ATOM 467 N TYR A 31 -1.600 -1.936 10.998 1.00 0.00 N ATOM 468 CA TYR A 31 -2.228 -0.641 10.947 1.00 0.00 C ATOM 469 C TYR A 31 -1.517 0.290 11.889 1.00 0.00 C ATOM 470 O TYR A 31 -1.186 1.421 11.539 1.00 0.00 O ATOM 471 CB TYR A 31 -3.711 -0.738 11.306 1.00 0.00 C ATOM 472 CG TYR A 31 -4.374 0.612 11.504 1.00 0.00 C ATOM 473 CD1 TYR A 31 -4.602 1.461 10.430 1.00 0.00 C ATOM 474 CD2 TYR A 31 -4.775 1.032 12.768 1.00 0.00 C ATOM 475 CE1 TYR A 31 -5.208 2.690 10.609 1.00 0.00 C ATOM 476 CE2 TYR A 31 -5.382 2.257 12.953 1.00 0.00 C ATOM 477 CZ TYR A 31 -5.597 3.081 11.870 1.00 0.00 C ATOM 478 OH TYR A 31 -6.202 4.304 12.049 1.00 0.00 O ATOM 0 H TYR A 31 -2.210 -2.687 11.322 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.159 -0.252 9.931 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.233 -1.278 10.517 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.818 -1.324 12.219 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.301 1.156 9.439 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.608 0.388 13.619 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.376 3.341 9.763 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.687 2.568 13.941 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.416 4.428 12.997 1.00 0.00 H new ATOM 488 N ARG A 32 -1.274 -0.209 13.090 1.00 0.00 N ATOM 489 CA ARG A 32 -0.607 0.553 14.120 1.00 0.00 C ATOM 490 C ARG A 32 0.764 0.986 13.680 1.00 0.00 C ATOM 491 O ARG A 32 1.120 2.139 13.836 1.00 0.00 O ATOM 492 CB ARG A 32 -0.477 -0.295 15.373 1.00 0.00 C ATOM 493 CG ARG A 32 -1.787 -0.552 16.057 1.00 0.00 C ATOM 494 CD ARG A 32 -2.266 0.698 16.760 1.00 0.00 C ATOM 495 NE ARG A 32 -3.555 0.517 17.424 1.00 0.00 N ATOM 496 CZ ARG A 32 -4.194 1.487 18.093 1.00 0.00 C ATOM 497 NH1 ARG A 32 -3.626 2.677 18.246 1.00 0.00 N ATOM 498 NH2 ARG A 32 -5.391 1.260 18.619 1.00 0.00 N ATOM 0 H ARG A 32 -1.535 -1.153 13.373 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.204 1.442 14.321 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.019 -1.249 15.111 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.197 0.202 16.071 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.529 -0.874 15.327 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.676 -1.363 16.777 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.523 1.002 17.497 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.347 1.508 16.035 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.995 -0.402 17.376 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.701 2.855 17.854 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.114 3.413 18.755 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.828 0.344 18.515 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.874 2.001 19.127 1.00 0.00 H new ATOM 512 N LYS A 33 1.523 0.087 13.097 1.00 0.00 N ATOM 513 CA LYS A 33 2.846 0.459 12.674 1.00 0.00 C ATOM 514 C LYS A 33 2.781 1.363 11.466 1.00 0.00 C ATOM 515 O LYS A 33 3.428 2.373 11.438 1.00 0.00 O ATOM 516 CB LYS A 33 3.748 -0.756 12.410 1.00 0.00 C ATOM 517 CG LYS A 33 3.432 -1.522 11.142 1.00 0.00 C ATOM 518 CD LYS A 33 4.387 -2.688 10.944 1.00 0.00 C ATOM 519 CE LYS A 33 4.086 -3.440 9.657 1.00 0.00 C ATOM 520 NZ LYS A 33 5.040 -4.554 9.436 1.00 0.00 N ATOM 0 H LYS A 33 1.255 -0.879 12.910 1.00 0.00 H new ATOM 0 HA LYS A 33 3.303 1.007 13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.783 -0.418 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.672 -1.438 13.257 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.408 -1.892 11.185 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.493 -0.851 10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.413 -2.320 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.312 -3.370 11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.070 -3.833 9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.130 -2.751 8.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.803 -5.043 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.007 -4.176 9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.980 -5.225 10.228 1.00 0.00 H new ATOM 534 N CYS A 34 1.941 1.035 10.502 1.00 0.00 N ATOM 535 CA CYS A 34 1.866 1.839 9.289 1.00 0.00 C ATOM 536 C CYS A 34 1.434 3.270 9.606 1.00 0.00 C ATOM 537 O CYS A 34 2.071 4.234 9.166 1.00 0.00 O ATOM 538 CB CYS A 34 0.916 1.211 8.269 1.00 0.00 C ATOM 539 SG CYS A 34 0.828 2.105 6.696 1.00 0.00 S ATOM 0 H CYS A 34 1.311 0.234 10.529 1.00 0.00 H new ATOM 0 HA CYS A 34 2.864 1.869 8.853 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.233 0.186 8.075 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.083 1.159 8.702 1.00 0.00 H new ATOM 0 HG CYS A 34 0.051 1.463 5.875 1.00 0.00 H new ATOM 545 N ALA A 35 0.362 3.403 10.375 1.00 0.00 N ATOM 546 CA ALA A 35 -0.145 4.712 10.750 1.00 0.00 C ATOM 547 C ALA A 35 0.851 5.476 11.622 1.00 0.00 C ATOM 548 O ALA A 35 1.141 6.620 11.366 1.00 0.00 O ATOM 549 CB ALA A 35 -1.480 4.573 11.468 1.00 0.00 C ATOM 0 H ALA A 35 -0.172 2.619 10.750 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.289 5.287 9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.849 5.561 11.744 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.199 4.088 10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.349 3.971 12.367 1.00 0.00 H new ATOM 555 N LEU A 36 1.382 4.811 12.639 1.00 0.00 N ATOM 556 CA LEU A 36 2.331 5.439 13.555 1.00 0.00 C ATOM 557 C LEU A 36 3.645 5.809 12.870 1.00 0.00 C ATOM 558 O LEU A 36 4.240 6.827 13.179 1.00 0.00 O ATOM 559 CB LEU A 36 2.578 4.566 14.783 1.00 0.00 C ATOM 560 CG LEU A 36 1.388 4.424 15.744 1.00 0.00 C ATOM 561 CD1 LEU A 36 1.690 3.410 16.835 1.00 0.00 C ATOM 562 CD2 LEU A 36 1.026 5.770 16.354 1.00 0.00 C ATOM 0 H LEU A 36 1.173 3.836 12.853 1.00 0.00 H new ATOM 0 HA LEU A 36 1.874 6.371 13.888 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.872 3.572 14.447 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.422 4.978 15.336 1.00 0.00 H new ATOM 0 HG LEU A 36 0.534 4.064 15.171 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.832 3.327 17.503 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.893 2.439 16.383 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.562 3.735 17.403 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.181 5.647 17.031 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.880 6.160 16.907 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.757 6.468 15.561 1.00 0.00 H new ATOM 574 N LYS A 37 4.104 4.965 11.979 1.00 0.00 N ATOM 575 CA LYS A 37 5.343 5.213 11.248 1.00 0.00 C ATOM 576 C LYS A 37 5.243 6.432 10.310 1.00 0.00 C ATOM 577 O LYS A 37 6.191 7.195 10.188 1.00 0.00 O ATOM 578 CB LYS A 37 5.751 3.959 10.455 1.00 0.00 C ATOM 579 CG LYS A 37 6.241 2.803 11.331 1.00 0.00 C ATOM 580 CD LYS A 37 6.354 1.502 10.545 1.00 0.00 C ATOM 581 CE LYS A 37 7.401 1.581 9.446 1.00 0.00 C ATOM 582 NZ LYS A 37 7.511 0.303 8.701 1.00 0.00 N ATOM 0 H LYS A 37 3.640 4.090 11.734 1.00 0.00 H new ATOM 0 HA LYS A 37 6.111 5.443 11.986 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.898 3.620 9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.538 4.227 9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.212 3.056 11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.554 2.664 12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.606 0.689 11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.386 1.261 10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.144 2.384 8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.368 1.833 9.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.235 0.395 7.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.781 -0.459 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.595 0.076 8.264 1.00 0.00 H new ATOM 596 N TYR A 38 4.099 6.593 9.635 1.00 0.00 N ATOM 597 CA TYR A 38 3.943 7.672 8.642 1.00 0.00 C ATOM 598 C TYR A 38 2.846 8.684 8.991 1.00 0.00 C ATOM 599 O TYR A 38 2.386 9.418 8.125 1.00 0.00 O ATOM 600 CB TYR A 38 3.667 7.031 7.290 1.00 0.00 C ATOM 601 CG TYR A 38 4.777 6.101 6.870 1.00 0.00 C ATOM 602 CD1 TYR A 38 4.699 4.740 7.144 1.00 0.00 C ATOM 603 CD2 TYR A 38 5.913 6.578 6.227 1.00 0.00 C ATOM 604 CE1 TYR A 38 5.715 3.882 6.792 1.00 0.00 C ATOM 605 CE2 TYR A 38 6.935 5.720 5.866 1.00 0.00 C ATOM 606 CZ TYR A 38 6.829 4.373 6.154 1.00 0.00 C ATOM 607 OH TYR A 38 7.840 3.515 5.804 1.00 0.00 O ATOM 0 H TYR A 38 3.276 6.001 9.752 1.00 0.00 H new ATOM 0 HA TYR A 38 4.868 8.248 8.627 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.728 6.479 7.335 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.542 7.810 6.538 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.824 4.349 7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.998 7.632 6.007 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.638 2.828 7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.811 6.100 5.362 1.00 0.00 H new ATOM 0 HH TYR A 38 8.556 4.016 5.360 1.00 0.00 H new ATOM 617 N HIS A 39 2.445 8.733 10.242 1.00 0.00 N ATOM 618 CA HIS A 39 1.389 9.666 10.673 1.00 0.00 C ATOM 619 C HIS A 39 1.791 11.128 10.456 1.00 0.00 C ATOM 620 O HIS A 39 2.926 11.509 10.708 1.00 0.00 O ATOM 621 CB HIS A 39 1.033 9.438 12.156 1.00 0.00 C ATOM 622 CG HIS A 39 2.186 9.612 13.114 1.00 0.00 C ATOM 623 ND1 HIS A 39 2.017 9.804 14.463 1.00 0.00 N ATOM 624 CD2 HIS A 39 3.527 9.584 12.912 1.00 0.00 C ATOM 625 CE1 HIS A 39 3.195 9.883 15.047 1.00 0.00 C ATOM 626 NE2 HIS A 39 4.127 9.750 14.128 1.00 0.00 N ATOM 0 H HIS A 39 2.822 8.147 10.987 1.00 0.00 H new ATOM 0 HA HIS A 39 0.514 9.463 10.056 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.238 10.130 12.436 1.00 0.00 H new ATOM 0 HB3 HIS A 39 0.633 8.430 12.269 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.118 9.875 14.939 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.028 9.454 11.964 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.367 10.032 16.103 1.00 0.00 H new ATOM 634 N PRO A 40 0.831 11.974 10.043 1.00 0.00 N ATOM 635 CA PRO A 40 1.075 13.405 9.781 1.00 0.00 C ATOM 636 C PRO A 40 1.429 14.166 11.054 1.00 0.00 C ATOM 637 O PRO A 40 1.931 15.288 11.004 1.00 0.00 O ATOM 638 CB PRO A 40 -0.261 13.897 9.218 1.00 0.00 C ATOM 639 CG PRO A 40 -1.263 12.935 9.746 1.00 0.00 C ATOM 640 CD PRO A 40 -0.571 11.607 9.778 1.00 0.00 C ATOM 0 HA PRO A 40 1.917 13.561 9.107 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -0.478 14.915 9.543 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.254 13.905 8.128 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.599 13.226 10.741 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.147 12.901 9.109 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.974 10.960 10.557 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.677 11.073 8.834 1.00 0.00 H new ATOM 648 N ASP A 41 1.162 13.540 12.191 1.00 0.00 N ATOM 649 CA ASP A 41 1.437 14.126 13.504 1.00 0.00 C ATOM 650 C ASP A 41 2.930 14.371 13.693 1.00 0.00 C ATOM 651 O ASP A 41 3.333 15.266 14.435 1.00 0.00 O ATOM 652 CB ASP A 41 0.931 13.199 14.614 1.00 0.00 C ATOM 653 CG ASP A 41 -0.576 13.085 14.646 1.00 0.00 C ATOM 654 OD1 ASP A 41 -1.245 14.037 15.099 1.00 0.00 O ATOM 655 OD2 ASP A 41 -1.106 12.043 14.214 1.00 0.00 O ATOM 0 H ASP A 41 0.748 12.609 12.234 1.00 0.00 H new ATOM 0 HA ASP A 41 0.915 15.082 13.559 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.362 12.207 14.477 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.283 13.569 15.577 1.00 0.00 H new ATOM 660 N LYS A 42 3.746 13.588 12.997 1.00 0.00 N ATOM 661 CA LYS A 42 5.200 13.685 13.116 1.00 0.00 C ATOM 662 C LYS A 42 5.840 13.691 11.735 1.00 0.00 C ATOM 663 O LYS A 42 6.840 14.365 11.504 1.00 0.00 O ATOM 664 CB LYS A 42 5.764 12.533 13.960 1.00 0.00 C ATOM 665 CG LYS A 42 5.263 12.504 15.403 1.00 0.00 C ATOM 666 CD LYS A 42 5.668 13.751 16.178 1.00 0.00 C ATOM 667 CE LYS A 42 7.175 13.843 16.354 1.00 0.00 C ATOM 668 NZ LYS A 42 7.569 15.038 17.134 1.00 0.00 N ATOM 0 H LYS A 42 3.426 12.875 12.341 1.00 0.00 H new ATOM 0 HA LYS A 42 5.438 14.621 13.622 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.508 11.588 13.480 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.852 12.603 13.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.177 12.413 15.407 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.659 11.621 15.906 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.309 14.637 15.654 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.188 13.743 17.156 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.537 12.946 16.857 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.653 13.875 15.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.604 15.063 17.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.246 15.896 16.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.134 14.996 18.078 1.00 0.00 H new ATOM 682 N ASN A 43 5.235 12.948 10.819 1.00 0.00 N ATOM 683 CA ASN A 43 5.700 12.865 9.450 1.00 0.00 C ATOM 684 C ASN A 43 4.956 13.890 8.612 1.00 0.00 C ATOM 685 O ASN A 43 3.762 13.751 8.365 1.00 0.00 O ATOM 686 CB ASN A 43 5.451 11.456 8.903 1.00 0.00 C ATOM 687 CG ASN A 43 6.203 10.391 9.674 1.00 0.00 C ATOM 688 OD1 ASN A 43 5.755 9.936 10.728 1.00 0.00 O ATOM 689 ND2 ASN A 43 7.344 9.978 9.151 1.00 0.00 N ATOM 0 H ASN A 43 4.406 12.386 11.009 1.00 0.00 H new ATOM 0 HA ASN A 43 6.770 13.071 9.410 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.383 11.240 8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.749 11.419 7.855 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.889 9.256 9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.679 10.381 8.276 1.00 0.00 H new ATOM 696 N PRO A 44 5.650 14.942 8.177 1.00 0.00 N ATOM 697 CA PRO A 44 5.041 16.040 7.425 1.00 0.00 C ATOM 698 C PRO A 44 4.856 15.740 5.940 1.00 0.00 C ATOM 699 O PRO A 44 4.209 16.508 5.223 1.00 0.00 O ATOM 700 CB PRO A 44 6.045 17.166 7.616 1.00 0.00 C ATOM 701 CG PRO A 44 7.359 16.469 7.700 1.00 0.00 C ATOM 702 CD PRO A 44 7.097 15.157 8.390 1.00 0.00 C ATOM 0 HA PRO A 44 4.033 16.258 7.777 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.019 17.869 6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.837 17.736 8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.779 16.309 6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 44 8.080 17.065 8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.691 14.351 7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.345 15.204 9.450 1.00 0.00 H new ATOM 710 N SER A 45 5.430 14.645 5.476 1.00 0.00 N ATOM 711 CA SER A 45 5.375 14.302 4.070 1.00 0.00 C ATOM 712 C SER A 45 3.966 13.981 3.641 1.00 0.00 C ATOM 713 O SER A 45 3.211 13.313 4.352 1.00 0.00 O ATOM 714 CB SER A 45 6.244 13.120 3.791 1.00 0.00 C ATOM 715 OG SER A 45 7.508 13.254 4.433 1.00 0.00 O ATOM 0 H SER A 45 5.940 13.978 6.055 1.00 0.00 H new ATOM 0 HA SER A 45 5.729 15.166 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.751 12.212 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.387 13.015 2.716 1.00 0.00 H new ATOM 0 HG SER A 45 8.059 12.468 4.237 1.00 0.00 H new ATOM 721 N GLU A 46 3.632 14.461 2.484 1.00 0.00 N ATOM 722 CA GLU A 46 2.326 14.250 1.891 1.00 0.00 C ATOM 723 C GLU A 46 2.098 12.772 1.643 1.00 0.00 C ATOM 724 O GLU A 46 1.040 12.242 1.933 1.00 0.00 O ATOM 725 CB GLU A 46 2.245 14.992 0.565 1.00 0.00 C ATOM 726 CG GLU A 46 2.289 16.500 0.687 1.00 0.00 C ATOM 727 CD GLU A 46 2.333 17.171 -0.665 1.00 0.00 C ATOM 728 OE1 GLU A 46 3.422 17.231 -1.262 1.00 0.00 O ATOM 729 OE2 GLU A 46 1.281 17.617 -1.145 1.00 0.00 O ATOM 0 H GLU A 46 4.260 15.020 1.907 1.00 0.00 H new ATOM 0 HA GLU A 46 1.564 14.624 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.069 14.667 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.322 14.708 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.413 16.846 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.165 16.792 1.267 1.00 0.00 H new ATOM 736 N GLU A 47 3.130 12.123 1.143 1.00 0.00 N ATOM 737 CA GLU A 47 3.098 10.706 0.829 1.00 0.00 C ATOM 738 C GLU A 47 2.871 9.887 2.081 1.00 0.00 C ATOM 739 O GLU A 47 2.148 8.898 2.068 1.00 0.00 O ATOM 740 CB GLU A 47 4.407 10.308 0.191 1.00 0.00 C ATOM 741 CG GLU A 47 4.620 10.900 -1.195 1.00 0.00 C ATOM 742 CD GLU A 47 5.955 10.519 -1.796 1.00 0.00 C ATOM 743 OE1 GLU A 47 6.002 9.569 -2.608 1.00 0.00 O ATOM 744 OE2 GLU A 47 6.968 11.173 -1.468 1.00 0.00 O ATOM 0 H GLU A 47 4.025 12.568 0.940 1.00 0.00 H new ATOM 0 HA GLU A 47 2.276 10.516 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.226 10.620 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.451 9.221 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.820 10.564 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.550 11.986 -1.136 1.00 0.00 H new ATOM 751 N ALA A 48 3.501 10.311 3.160 1.00 0.00 N ATOM 752 CA ALA A 48 3.361 9.639 4.441 1.00 0.00 C ATOM 753 C ALA A 48 1.928 9.702 4.885 1.00 0.00 C ATOM 754 O ALA A 48 1.355 8.721 5.367 1.00 0.00 O ATOM 755 CB ALA A 48 4.277 10.273 5.478 1.00 0.00 C ATOM 0 H ALA A 48 4.119 11.123 3.176 1.00 0.00 H new ATOM 0 HA ALA A 48 3.652 8.594 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.159 9.758 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.312 10.192 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.016 11.324 5.600 1.00 0.00 H new ATOM 761 N ALA A 49 1.356 10.852 4.686 1.00 0.00 N ATOM 762 CA ALA A 49 -0.041 11.093 5.001 1.00 0.00 C ATOM 763 C ALA A 49 -0.934 10.220 4.130 1.00 0.00 C ATOM 764 O ALA A 49 -1.947 9.682 4.591 1.00 0.00 O ATOM 765 CB ALA A 49 -0.383 12.565 4.828 1.00 0.00 C ATOM 0 H ALA A 49 1.840 11.662 4.298 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.215 10.829 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.434 12.725 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.237 13.164 5.495 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.198 12.863 3.796 1.00 0.00 H new ATOM 771 N GLU A 50 -0.546 10.083 2.864 1.00 0.00 N ATOM 772 CA GLU A 50 -1.281 9.260 1.915 1.00 0.00 C ATOM 773 C GLU A 50 -1.259 7.816 2.373 1.00 0.00 C ATOM 774 O GLU A 50 -2.263 7.105 2.306 1.00 0.00 O ATOM 775 CB GLU A 50 -0.633 9.341 0.541 1.00 0.00 C ATOM 776 CG GLU A 50 -0.558 10.733 -0.021 1.00 0.00 C ATOM 777 CD GLU A 50 -0.188 10.737 -1.480 1.00 0.00 C ATOM 778 OE1 GLU A 50 0.919 11.185 -1.816 1.00 0.00 O ATOM 779 OE2 GLU A 50 -1.009 10.282 -2.308 1.00 0.00 O ATOM 0 H GLU A 50 0.280 10.536 2.473 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.307 9.623 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.375 8.930 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.193 8.711 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.520 11.228 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.177 11.311 0.540 1.00 0.00 H new ATOM 786 N LYS A 51 -0.102 7.403 2.854 1.00 0.00 N ATOM 787 CA LYS A 51 0.099 6.059 3.372 1.00 0.00 C ATOM 788 C LYS A 51 -0.801 5.818 4.565 1.00 0.00 C ATOM 789 O LYS A 51 -1.351 4.730 4.738 1.00 0.00 O ATOM 790 CB LYS A 51 1.546 5.876 3.781 1.00 0.00 C ATOM 791 CG LYS A 51 2.508 5.859 2.615 1.00 0.00 C ATOM 792 CD LYS A 51 3.940 5.778 3.087 1.00 0.00 C ATOM 793 CE LYS A 51 4.195 4.493 3.860 1.00 0.00 C ATOM 794 NZ LYS A 51 3.946 3.281 3.032 1.00 0.00 N ATOM 0 H LYS A 51 0.730 7.991 2.898 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.149 5.341 2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.827 6.680 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.643 4.942 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.287 5.008 1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.371 6.758 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.611 5.828 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.166 6.636 3.720 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.225 4.483 4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.554 4.467 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.336 2.446 3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.922 3.157 2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.405 3.393 2.106 1.00 0.00 H new ATOM 808 N PHE A 52 -0.938 6.843 5.386 1.00 0.00 N ATOM 809 CA PHE A 52 -1.808 6.786 6.538 1.00 0.00 C ATOM 810 C PHE A 52 -3.239 6.505 6.073 1.00 0.00 C ATOM 811 O PHE A 52 -3.937 5.657 6.640 1.00 0.00 O ATOM 812 CB PHE A 52 -1.755 8.104 7.327 1.00 0.00 C ATOM 813 CG PHE A 52 -2.596 8.086 8.585 1.00 0.00 C ATOM 814 CD1 PHE A 52 -2.018 7.865 9.823 1.00 0.00 C ATOM 815 CD2 PHE A 52 -3.974 8.264 8.518 1.00 0.00 C ATOM 816 CE1 PHE A 52 -2.793 7.825 10.968 1.00 0.00 C ATOM 817 CE2 PHE A 52 -4.753 8.224 9.655 1.00 0.00 C ATOM 818 CZ PHE A 52 -4.162 8.004 10.884 1.00 0.00 C ATOM 0 H PHE A 52 -0.451 7.732 5.271 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.473 5.985 7.198 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.720 8.318 7.594 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.093 8.917 6.685 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.950 7.722 9.896 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.441 8.436 7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.329 7.654 11.928 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.822 8.364 9.585 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.768 7.972 11.778 1.00 0.00 H new ATOM 828 N LYS A 53 -3.663 7.220 5.032 1.00 0.00 N ATOM 829 CA LYS A 53 -5.002 7.055 4.473 1.00 0.00 C ATOM 830 C LYS A 53 -5.206 5.632 3.960 1.00 0.00 C ATOM 831 O LYS A 53 -6.264 5.029 4.184 1.00 0.00 O ATOM 832 CB LYS A 53 -5.222 8.042 3.320 1.00 0.00 C ATOM 833 CG LYS A 53 -5.291 9.502 3.737 1.00 0.00 C ATOM 834 CD LYS A 53 -6.529 9.782 4.570 1.00 0.00 C ATOM 835 CE LYS A 53 -6.700 11.271 4.829 1.00 0.00 C ATOM 836 NZ LYS A 53 -5.580 11.831 5.617 1.00 0.00 N ATOM 0 H LYS A 53 -3.095 7.922 4.558 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.722 7.253 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.414 7.922 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.148 7.781 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.400 9.761 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.296 10.135 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.410 9.397 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.458 9.252 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.772 11.798 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.637 11.441 5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.786 12.822 5.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.461 11.280 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.705 11.785 5.057 1.00 0.00 H new ATOM 850 N GLU A 54 -4.191 5.092 3.294 1.00 0.00 N ATOM 851 CA GLU A 54 -4.254 3.738 2.753 1.00 0.00 C ATOM 852 C GLU A 54 -4.339 2.720 3.869 1.00 0.00 C ATOM 853 O GLU A 54 -5.104 1.759 3.793 1.00 0.00 O ATOM 854 CB GLU A 54 -3.021 3.459 1.917 1.00 0.00 C ATOM 855 CG GLU A 54 -2.936 4.297 0.671 1.00 0.00 C ATOM 856 CD GLU A 54 -1.670 4.036 -0.113 1.00 0.00 C ATOM 857 OE1 GLU A 54 -0.563 4.310 0.411 1.00 0.00 O ATOM 858 OE2 GLU A 54 -1.766 3.552 -1.250 1.00 0.00 O ATOM 0 H GLU A 54 -3.310 5.574 3.115 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.147 3.659 2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.133 3.635 2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.013 2.405 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.800 4.093 0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.982 5.352 0.942 1.00 0.00 H new ATOM 865 N ALA A 55 -3.561 2.954 4.917 1.00 0.00 N ATOM 866 CA ALA A 55 -3.539 2.074 6.065 1.00 0.00 C ATOM 867 C ALA A 55 -4.889 2.072 6.731 1.00 0.00 C ATOM 868 O ALA A 55 -5.388 1.033 7.151 1.00 0.00 O ATOM 869 CB ALA A 55 -2.472 2.512 7.051 1.00 0.00 C ATOM 0 H ALA A 55 -2.933 3.755 4.990 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.304 1.064 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.470 1.839 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.496 2.485 6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.682 3.527 7.388 1.00 0.00 H new ATOM 875 N SER A 56 -5.478 3.252 6.808 1.00 0.00 N ATOM 876 CA SER A 56 -6.762 3.423 7.429 1.00 0.00 C ATOM 877 C SER A 56 -7.843 2.661 6.653 1.00 0.00 C ATOM 878 O SER A 56 -8.643 1.960 7.247 1.00 0.00 O ATOM 879 CB SER A 56 -7.090 4.919 7.536 1.00 0.00 C ATOM 880 OG SER A 56 -6.123 5.582 8.340 1.00 0.00 O ATOM 0 H SER A 56 -5.073 4.113 6.440 1.00 0.00 H new ATOM 0 HA SER A 56 -6.733 3.007 8.436 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.113 5.365 6.542 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.082 5.050 7.967 1.00 0.00 H new ATOM 0 HG SER A 56 -5.285 5.669 7.839 1.00 0.00 H new ATOM 886 N ALA A 57 -7.827 2.766 5.314 1.00 0.00 N ATOM 887 CA ALA A 57 -8.812 2.057 4.482 1.00 0.00 C ATOM 888 C ALA A 57 -8.623 0.542 4.576 1.00 0.00 C ATOM 889 O ALA A 57 -9.595 -0.227 4.657 1.00 0.00 O ATOM 890 CB ALA A 57 -8.725 2.523 3.035 1.00 0.00 C ATOM 0 H ALA A 57 -7.154 3.326 4.791 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.806 2.294 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.461 1.987 2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.926 3.593 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.726 2.322 2.648 1.00 0.00 H new ATOM 896 N ALA A 58 -7.366 0.126 4.579 1.00 0.00 N ATOM 897 CA ALA A 58 -7.016 -1.275 4.701 1.00 0.00 C ATOM 898 C ALA A 58 -7.535 -1.799 6.006 1.00 0.00 C ATOM 899 O ALA A 58 -8.128 -2.851 6.067 1.00 0.00 O ATOM 900 CB ALA A 58 -5.507 -1.447 4.642 1.00 0.00 C ATOM 0 H ALA A 58 -6.564 0.751 4.497 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.463 -1.831 3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.257 -2.504 4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.135 -1.068 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.045 -0.892 5.459 1.00 0.00 H new ATOM 906 N TYR A 59 -7.337 -1.015 7.034 1.00 0.00 N ATOM 907 CA TYR A 59 -7.822 -1.312 8.360 1.00 0.00 C ATOM 908 C TYR A 59 -9.334 -1.419 8.365 1.00 0.00 C ATOM 909 O TYR A 59 -9.887 -2.295 8.985 1.00 0.00 O ATOM 910 CB TYR A 59 -7.361 -0.225 9.312 1.00 0.00 C ATOM 911 CG TYR A 59 -7.841 -0.359 10.725 1.00 0.00 C ATOM 912 CD1 TYR A 59 -7.217 -1.219 11.605 1.00 0.00 C ATOM 913 CD2 TYR A 59 -8.902 0.402 11.188 1.00 0.00 C ATOM 914 CE1 TYR A 59 -7.630 -1.318 12.908 1.00 0.00 C ATOM 915 CE2 TYR A 59 -9.327 0.303 12.490 1.00 0.00 C ATOM 916 CZ TYR A 59 -8.686 -0.556 13.347 1.00 0.00 C ATOM 917 OH TYR A 59 -9.091 -0.646 14.651 1.00 0.00 O ATOM 0 H TYR A 59 -6.825 -0.135 6.973 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.419 -2.272 8.684 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.271 -0.209 9.317 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.692 0.738 8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.390 -1.823 11.262 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.402 1.083 10.515 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.128 -1.992 13.587 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.160 0.897 12.837 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.848 -0.042 14.801 1.00 0.00 H new ATOM 927 N GLU A 60 -9.981 -0.536 7.640 1.00 0.00 N ATOM 928 CA GLU A 60 -11.428 -0.483 7.617 1.00 0.00 C ATOM 929 C GLU A 60 -12.023 -1.807 7.150 1.00 0.00 C ATOM 930 O GLU A 60 -13.039 -2.250 7.673 1.00 0.00 O ATOM 931 CB GLU A 60 -11.910 0.643 6.701 1.00 0.00 C ATOM 932 CG GLU A 60 -11.583 2.028 7.214 1.00 0.00 C ATOM 933 CD GLU A 60 -12.141 2.281 8.600 1.00 0.00 C ATOM 934 OE1 GLU A 60 -13.372 2.150 8.784 1.00 0.00 O ATOM 935 OE2 GLU A 60 -11.357 2.610 9.516 1.00 0.00 O ATOM 0 H GLU A 60 -9.525 0.162 7.053 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.765 -0.290 8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.461 0.515 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.989 0.558 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.501 2.159 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.983 2.771 6.524 1.00 0.00 H new ATOM 942 N ILE A 61 -11.404 -2.432 6.164 1.00 0.00 N ATOM 943 CA ILE A 61 -11.903 -3.707 5.678 1.00 0.00 C ATOM 944 C ILE A 61 -11.252 -4.879 6.394 1.00 0.00 C ATOM 945 O ILE A 61 -11.923 -5.780 6.864 1.00 0.00 O ATOM 946 CB ILE A 61 -11.740 -3.850 4.146 1.00 0.00 C ATOM 947 CG1 ILE A 61 -10.309 -3.518 3.713 1.00 0.00 C ATOM 948 CG2 ILE A 61 -12.745 -2.972 3.416 1.00 0.00 C ATOM 949 CD1 ILE A 61 -10.046 -3.751 2.249 1.00 0.00 C ATOM 0 H ILE A 61 -10.569 -2.086 5.691 1.00 0.00 H new ATOM 0 HA ILE A 61 -12.970 -3.724 5.902 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.937 -4.888 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.102 -2.474 3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.614 -4.120 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -12.614 -3.087 2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.756 -3.270 3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.585 -1.930 3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.012 -3.493 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -10.220 -4.800 2.011 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.715 -3.128 1.655 1.00 0.00 H new ATOM 961 N LEU A 62 -9.954 -4.843 6.478 1.00 0.00 N ATOM 962 CA LEU A 62 -9.180 -5.912 7.070 1.00 0.00 C ATOM 963 C LEU A 62 -9.457 -6.114 8.569 1.00 0.00 C ATOM 964 O LEU A 62 -9.521 -7.247 9.033 1.00 0.00 O ATOM 965 CB LEU A 62 -7.710 -5.659 6.803 1.00 0.00 C ATOM 966 CG LEU A 62 -7.314 -5.667 5.322 1.00 0.00 C ATOM 967 CD1 LEU A 62 -5.833 -5.400 5.151 1.00 0.00 C ATOM 968 CD2 LEU A 62 -7.710 -6.971 4.654 1.00 0.00 C ATOM 0 H LEU A 62 -9.390 -4.065 6.136 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.487 -6.846 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.438 -4.694 7.232 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.125 -6.416 7.325 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.859 -4.861 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.581 -5.412 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.588 -4.425 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.262 -6.171 5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.416 -6.946 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.209 -7.801 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.790 -7.103 4.725 1.00 0.00 H new ATOM 980 N SER A 63 -9.640 -5.024 9.319 1.00 0.00 N ATOM 981 CA SER A 63 -9.910 -5.116 10.767 1.00 0.00 C ATOM 982 C SER A 63 -11.266 -5.786 11.042 1.00 0.00 C ATOM 983 O SER A 63 -11.636 -6.015 12.200 1.00 0.00 O ATOM 984 CB SER A 63 -9.852 -3.728 11.418 1.00 0.00 C ATOM 985 OG SER A 63 -9.952 -3.811 12.832 1.00 0.00 O ATOM 0 H SER A 63 -9.608 -4.071 8.956 1.00 0.00 H new ATOM 0 HA SER A 63 -9.134 -5.740 11.211 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.918 -3.237 11.147 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.662 -3.109 11.031 1.00 0.00 H new ATOM 0 HG SER A 63 -10.562 -4.539 13.075 1.00 0.00 H new ATOM 991 N ASP A 64 -11.999 -6.077 9.980 1.00 0.00 N ATOM 992 CA ASP A 64 -13.253 -6.797 10.069 1.00 0.00 C ATOM 993 C ASP A 64 -13.152 -8.033 9.212 1.00 0.00 C ATOM 994 O ASP A 64 -13.153 -7.939 8.015 1.00 0.00 O ATOM 995 CB ASP A 64 -14.457 -5.950 9.625 1.00 0.00 C ATOM 996 CG ASP A 64 -14.818 -4.850 10.598 1.00 0.00 C ATOM 997 OD1 ASP A 64 -14.976 -5.142 11.803 1.00 0.00 O ATOM 998 OD2 ASP A 64 -14.990 -3.695 10.157 1.00 0.00 O ATOM 0 H ASP A 64 -11.737 -5.818 9.029 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.423 -7.056 11.114 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.240 -5.507 8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -15.320 -6.603 9.492 1.00 0.00 H new ATOM 1003 N PRO A 65 -13.075 -9.208 9.826 1.00 0.00 N ATOM 1004 CA PRO A 65 -12.900 -10.493 9.119 1.00 0.00 C ATOM 1005 C PRO A 65 -13.941 -10.705 8.038 1.00 0.00 C ATOM 1006 O PRO A 65 -13.680 -11.353 7.027 1.00 0.00 O ATOM 1007 CB PRO A 65 -13.082 -11.518 10.227 1.00 0.00 C ATOM 1008 CG PRO A 65 -12.669 -10.796 11.449 1.00 0.00 C ATOM 1009 CD PRO A 65 -13.138 -9.387 11.266 1.00 0.00 C ATOM 0 HA PRO A 65 -11.940 -10.551 8.606 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -14.116 -11.856 10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.468 -12.402 10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.114 -11.244 12.338 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -11.588 -10.835 11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.149 -9.245 11.647 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.498 -8.677 11.790 1.00 0.00 H new ATOM 1017 N GLU A 66 -15.108 -10.131 8.243 1.00 0.00 N ATOM 1018 CA GLU A 66 -16.185 -10.263 7.291 1.00 0.00 C ATOM 1019 C GLU A 66 -15.842 -9.485 6.054 1.00 0.00 C ATOM 1020 O GLU A 66 -16.056 -9.939 4.940 1.00 0.00 O ATOM 1021 CB GLU A 66 -17.508 -9.772 7.884 1.00 0.00 C ATOM 1022 CG GLU A 66 -18.029 -10.630 9.024 1.00 0.00 C ATOM 1023 CD GLU A 66 -18.271 -12.063 8.610 1.00 0.00 C ATOM 1024 OE1 GLU A 66 -19.070 -12.294 7.684 1.00 0.00 O ATOM 1025 OE2 GLU A 66 -17.654 -12.970 9.208 1.00 0.00 O ATOM 0 H GLU A 66 -15.333 -9.568 9.063 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.310 -11.316 7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.377 -8.751 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -18.259 -9.740 7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.313 -10.609 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.959 -10.203 9.400 1.00 0.00 H new ATOM 1032 N LYS A 67 -15.245 -8.335 6.269 1.00 0.00 N ATOM 1033 CA LYS A 67 -14.855 -7.442 5.223 1.00 0.00 C ATOM 1034 C LYS A 67 -13.541 -7.890 4.636 1.00 0.00 C ATOM 1035 O LYS A 67 -13.226 -7.609 3.493 1.00 0.00 O ATOM 1036 CB LYS A 67 -14.729 -6.045 5.806 1.00 0.00 C ATOM 1037 CG LYS A 67 -16.058 -5.396 6.166 1.00 0.00 C ATOM 1038 CD LYS A 67 -16.876 -5.094 4.917 1.00 0.00 C ATOM 1039 CE LYS A 67 -18.174 -4.377 5.250 1.00 0.00 C ATOM 1040 NZ LYS A 67 -18.966 -4.076 4.029 1.00 0.00 N ATOM 0 H LYS A 67 -15.015 -7.994 7.203 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.601 -7.440 4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.106 -6.091 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.210 -5.410 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.623 -6.057 6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.878 -4.474 6.719 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.286 -4.480 4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.099 -6.025 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.767 -4.994 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.952 -3.449 5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.844 -3.587 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.410 -3.467 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.199 -4.963 3.539 1.00 0.00 H new ATOM 1054 N ARG A 68 -12.789 -8.590 5.446 1.00 0.00 N ATOM 1055 CA ARG A 68 -11.514 -9.125 5.075 1.00 0.00 C ATOM 1056 C ARG A 68 -11.734 -10.223 4.047 1.00 0.00 C ATOM 1057 O ARG A 68 -11.027 -10.305 3.046 1.00 0.00 O ATOM 1058 CB ARG A 68 -10.849 -9.684 6.334 1.00 0.00 C ATOM 1059 CG ARG A 68 -9.327 -9.674 6.324 1.00 0.00 C ATOM 1060 CD ARG A 68 -8.743 -11.084 6.327 1.00 0.00 C ATOM 1061 NE ARG A 68 -8.756 -11.700 4.998 1.00 0.00 N ATOM 1062 CZ ARG A 68 -8.793 -13.021 4.777 1.00 0.00 C ATOM 1063 NH1 ARG A 68 -8.926 -13.872 5.789 1.00 0.00 N ATOM 1064 NH2 ARG A 68 -8.709 -13.486 3.540 1.00 0.00 N ATOM 0 H ARG A 68 -13.058 -8.807 6.406 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.871 -8.360 4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.194 -9.109 7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -11.188 -10.710 6.480 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.974 -9.138 5.443 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.963 -9.130 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.718 -11.049 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.310 -11.707 7.018 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.736 -11.082 4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.001 -13.521 6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.953 -14.876 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.616 -12.839 2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.737 -14.491 3.370 1.00 0.00 H new ATOM 1078 N ASP A 69 -12.745 -11.066 4.302 1.00 0.00 N ATOM 1079 CA ASP A 69 -13.122 -12.121 3.369 1.00 0.00 C ATOM 1080 C ASP A 69 -13.779 -11.539 2.152 1.00 0.00 C ATOM 1081 O ASP A 69 -13.609 -12.033 1.045 1.00 0.00 O ATOM 1082 CB ASP A 69 -14.009 -13.176 4.015 1.00 0.00 C ATOM 1083 CG ASP A 69 -13.212 -14.212 4.778 1.00 0.00 C ATOM 1084 OD1 ASP A 69 -12.627 -15.110 4.124 1.00 0.00 O ATOM 1085 OD2 ASP A 69 -13.169 -14.147 6.020 1.00 0.00 O ATOM 0 H ASP A 69 -13.313 -11.032 5.149 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.205 -12.625 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.711 -12.691 4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.600 -13.671 3.244 1.00 0.00 H new ATOM 1090 N ILE A 70 -14.548 -10.491 2.364 1.00 0.00 N ATOM 1091 CA ILE A 70 -15.163 -9.776 1.273 1.00 0.00 C ATOM 1092 C ILE A 70 -14.085 -9.208 0.354 1.00 0.00 C ATOM 1093 O ILE A 70 -14.125 -9.407 -0.854 1.00 0.00 O ATOM 1094 CB ILE A 70 -16.081 -8.653 1.806 1.00 0.00 C ATOM 1095 CG1 ILE A 70 -17.349 -9.237 2.443 1.00 0.00 C ATOM 1096 CG2 ILE A 70 -16.428 -7.635 0.726 1.00 0.00 C ATOM 1097 CD1 ILE A 70 -18.208 -10.044 1.488 1.00 0.00 C ATOM 0 H ILE A 70 -14.761 -10.116 3.289 1.00 0.00 H new ATOM 0 HA ILE A 70 -15.781 -10.468 0.700 1.00 0.00 H new ATOM 0 HB ILE A 70 -15.525 -8.122 2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -17.062 -9.872 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -17.946 -8.421 2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -17.075 -6.865 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -15.513 -7.176 0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -16.945 -8.135 -0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -19.084 -10.421 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -18.528 -9.409 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -17.630 -10.882 1.099 1.00 0.00 H new ATOM 1109 N TYR A 71 -13.093 -8.554 0.944 1.00 0.00 N ATOM 1110 CA TYR A 71 -11.961 -8.035 0.175 1.00 0.00 C ATOM 1111 C TYR A 71 -11.209 -9.174 -0.494 1.00 0.00 C ATOM 1112 O TYR A 71 -10.742 -9.045 -1.610 1.00 0.00 O ATOM 1113 CB TYR A 71 -11.024 -7.191 1.041 1.00 0.00 C ATOM 1114 CG TYR A 71 -9.843 -6.631 0.272 1.00 0.00 C ATOM 1115 CD1 TYR A 71 -10.033 -5.751 -0.784 1.00 0.00 C ATOM 1116 CD2 TYR A 71 -8.544 -6.977 0.606 1.00 0.00 C ATOM 1117 CE1 TYR A 71 -8.962 -5.237 -1.489 1.00 0.00 C ATOM 1118 CE2 TYR A 71 -7.465 -6.466 -0.093 1.00 0.00 C ATOM 1119 CZ TYR A 71 -7.679 -5.599 -1.139 1.00 0.00 C ATOM 1120 OH TYR A 71 -6.604 -5.083 -1.832 1.00 0.00 O ATOM 0 H TYR A 71 -13.045 -8.369 1.946 1.00 0.00 H new ATOM 0 HA TYR A 71 -12.358 -7.378 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.588 -6.367 1.479 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.656 -7.800 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.037 -5.463 -1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -8.370 -7.658 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -9.129 -4.555 -2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.459 -6.747 0.182 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.874 -5.737 -1.838 1.00 0.00 H new