USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 731 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-2.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -30:sc= 0.262 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0949 K(o=-0.095,f=-1.8) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.282 K(o=0.28,f=-1.7!) USER MOD Single : A 53 SER OG : rot 15:sc= 0.388 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.36) USER MOD Single : A 65 TYR OH : rot 1:sc= -3.3! USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 70 THR OG1 : rot 132:sc= -0.97 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 91 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.098) USER MOD Single : A 92 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.33) USER MOD Single : A 93 HIS : no HD1:sc= -4.14 K(o=-4.1,f=-3.3) USER MOD Single : A 94 SER OG : rot -50:sc= 1.08 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 105 HIS : no HD1:sc= -2.08! C(o=-2.1!,f=-4!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -9.134 -2.246 -9.101 1.00 0.00 N ATOM 171 CA LYS A 15 -9.638 -1.362 -10.145 1.00 0.00 C ATOM 172 C LYS A 15 -9.831 0.055 -9.612 1.00 0.00 C ATOM 173 O LYS A 15 -9.571 1.033 -10.315 1.00 0.00 O ATOM 174 CB LYS A 15 -10.962 -1.894 -10.697 1.00 0.00 C ATOM 175 CG LYS A 15 -10.790 -2.923 -11.801 1.00 0.00 C ATOM 176 CD LYS A 15 -12.089 -3.153 -12.556 1.00 0.00 C ATOM 177 CE LYS A 15 -12.022 -4.408 -13.411 1.00 0.00 C ATOM 178 NZ LYS A 15 -11.377 -4.149 -14.729 1.00 0.00 N ATOM 0 HA LYS A 15 -8.902 -1.333 -10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.533 -2.339 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.549 -1.059 -11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.019 -2.588 -12.495 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.446 -3.864 -11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.913 -3.238 -11.847 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.301 -2.291 -13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.465 -5.180 -12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.029 -4.794 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.351 -5.030 -15.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.922 -3.431 -15.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.407 -3.805 -14.579 1.00 0.00 H new ATOM 192 N HIS A 16 -10.285 0.158 -8.367 1.00 0.00 N ATOM 193 CA HIS A 16 -10.509 1.456 -7.741 1.00 0.00 C ATOM 194 C HIS A 16 -9.335 2.393 -7.997 1.00 0.00 C ATOM 195 O HIS A 16 -8.259 1.959 -8.410 1.00 0.00 O ATOM 196 CB HIS A 16 -10.723 1.289 -6.235 1.00 0.00 C ATOM 197 CG HIS A 16 -11.871 0.390 -5.890 1.00 0.00 C ATOM 198 ND1 HIS A 16 -11.798 -0.585 -4.917 1.00 0.00 N ATOM 199 CD2 HIS A 16 -13.126 0.324 -6.392 1.00 0.00 C ATOM 200 CE1 HIS A 16 -12.958 -1.213 -4.838 1.00 0.00 C ATOM 201 NE2 HIS A 16 -13.782 -0.680 -5.722 1.00 0.00 N ATOM 0 H HIS A 16 -10.505 -0.641 -7.772 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.404 1.894 -8.183 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.812 0.889 -5.789 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.893 2.269 -5.789 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -10.977 -0.789 -4.347 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.536 0.945 -7.174 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.192 -2.024 -4.165 1.00 0.00 H new ATOM 210 N SER A 17 -9.547 3.682 -7.752 1.00 0.00 N ATOM 211 CA SER A 17 -8.508 4.684 -7.962 1.00 0.00 C ATOM 212 C SER A 17 -7.800 5.013 -6.651 1.00 0.00 C ATOM 213 O SER A 17 -6.648 5.450 -6.648 1.00 0.00 O ATOM 214 CB SER A 17 -9.109 5.954 -8.564 1.00 0.00 C ATOM 215 OG SER A 17 -9.151 5.877 -9.979 1.00 0.00 O ATOM 0 H SER A 17 -10.430 4.058 -7.407 1.00 0.00 H new ATOM 0 HA SER A 17 -7.776 4.274 -8.657 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.116 6.104 -8.175 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.518 6.819 -8.261 1.00 0.00 H new ATOM 0 HG SER A 17 -9.541 6.700 -10.340 1.00 0.00 H new ATOM 221 N TRP A 18 -8.496 4.801 -5.541 1.00 0.00 N ATOM 222 CA TRP A 18 -7.935 5.076 -4.223 1.00 0.00 C ATOM 223 C TRP A 18 -7.205 3.854 -3.677 1.00 0.00 C ATOM 224 O TRP A 18 -6.244 3.982 -2.916 1.00 0.00 O ATOM 225 CB TRP A 18 -9.039 5.500 -3.254 1.00 0.00 C ATOM 226 CG TRP A 18 -10.364 4.864 -3.546 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.378 5.388 -4.296 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.818 3.583 -3.095 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.436 4.512 -4.337 1.00 0.00 N ATOM 230 CE2 TRP A 18 -12.116 3.397 -3.610 1.00 0.00 C ATOM 231 CE3 TRP A 18 -10.253 2.575 -2.310 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.857 2.244 -3.360 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.989 1.432 -2.062 1.00 0.00 C ATOM 234 CH2 TRP A 18 -12.278 1.274 -2.587 1.00 0.00 C ATOM 0 H TRP A 18 -9.450 4.440 -5.527 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.218 5.890 -4.324 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.738 5.245 -2.238 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.148 6.584 -3.291 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.352 6.350 -4.785 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.316 4.667 -4.829 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.258 2.687 -1.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.852 2.120 -3.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.563 0.648 -1.453 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.827 0.368 -2.377 1.00 0.00 H new ATOM 245 N TYR A 19 -7.663 2.672 -4.069 1.00 0.00 N ATOM 246 CA TYR A 19 -7.054 1.427 -3.617 1.00 0.00 C ATOM 247 C TYR A 19 -5.770 1.137 -4.387 1.00 0.00 C ATOM 248 O TYR A 19 -5.802 0.829 -5.579 1.00 0.00 O ATOM 249 CB TYR A 19 -8.034 0.264 -3.785 1.00 0.00 C ATOM 250 CG TYR A 19 -7.635 -0.979 -3.023 1.00 0.00 C ATOM 251 CD1 TYR A 19 -6.646 -1.826 -3.509 1.00 0.00 C ATOM 252 CD2 TYR A 19 -8.246 -1.308 -1.820 1.00 0.00 C ATOM 253 CE1 TYR A 19 -6.279 -2.965 -2.818 1.00 0.00 C ATOM 254 CE2 TYR A 19 -7.884 -2.443 -1.121 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.899 -3.268 -1.623 1.00 0.00 C ATOM 256 OH TYR A 19 -6.536 -4.401 -0.931 1.00 0.00 O ATOM 0 H TYR A 19 -8.455 2.549 -4.700 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.807 1.537 -2.561 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.022 0.582 -3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.117 0.020 -4.844 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.156 -1.590 -4.442 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.018 -0.665 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.511 -3.615 -3.211 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.369 -2.683 -0.187 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.594 -4.604 -1.107 1.00 0.00 H new ATOM 266 N HIS A 20 -4.638 1.240 -3.696 1.00 0.00 N ATOM 267 CA HIS A 20 -3.340 0.989 -4.314 1.00 0.00 C ATOM 268 C HIS A 20 -2.796 -0.375 -3.898 1.00 0.00 C ATOM 269 O HIS A 20 -2.289 -1.130 -4.726 1.00 0.00 O ATOM 270 CB HIS A 20 -2.348 2.086 -3.928 1.00 0.00 C ATOM 271 CG HIS A 20 -2.368 3.263 -4.854 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.266 3.673 -5.575 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.365 4.121 -5.175 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.585 4.732 -6.297 1.00 0.00 C ATOM 275 NE2 HIS A 20 -2.854 5.023 -6.073 1.00 0.00 N ATOM 0 H HIS A 20 -4.593 1.495 -2.709 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.472 0.994 -5.396 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.570 2.426 -2.916 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.343 1.665 -3.910 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.375 4.099 -4.794 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.921 5.269 -6.958 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.370 5.793 -6.499 1.00 0.00 H new ATOM 284 N GLY A 21 -2.905 -0.683 -2.609 1.00 0.00 N ATOM 285 CA GLY A 21 -2.418 -1.954 -2.107 1.00 0.00 C ATOM 286 C GLY A 21 -1.079 -1.827 -1.409 1.00 0.00 C ATOM 287 O GLY A 21 -0.978 -1.292 -0.305 1.00 0.00 O ATOM 0 H GLY A 21 -3.322 -0.075 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.148 -2.371 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.327 -2.657 -2.935 1.00 0.00 H new ATOM 291 N PRO A 22 -0.019 -2.331 -2.059 1.00 0.00 N ATOM 292 CA PRO A 22 1.340 -2.284 -1.513 1.00 0.00 C ATOM 293 C PRO A 22 1.906 -0.868 -1.485 1.00 0.00 C ATOM 294 O PRO A 22 2.447 -0.386 -2.481 1.00 0.00 O ATOM 295 CB PRO A 22 2.140 -3.162 -2.479 1.00 0.00 C ATOM 296 CG PRO A 22 1.384 -3.104 -3.759 1.00 0.00 C ATOM 297 CD PRO A 22 -0.066 -2.983 -3.379 1.00 0.00 C ATOM 0 HA PRO A 22 1.376 -2.623 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.157 -2.789 -2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.218 -4.185 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.702 -2.253 -4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.558 -4.000 -4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.623 -2.387 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.551 -3.958 -3.329 1.00 0.00 H new ATOM 305 N VAL A 23 1.778 -0.208 -0.339 1.00 0.00 N ATOM 306 CA VAL A 23 2.280 1.153 -0.181 1.00 0.00 C ATOM 307 C VAL A 23 3.127 1.283 1.079 1.00 0.00 C ATOM 308 O VAL A 23 2.669 0.984 2.181 1.00 0.00 O ATOM 309 CB VAL A 23 1.126 2.171 -0.120 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.670 3.586 0.003 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.232 2.038 -1.343 1.00 0.00 C ATOM 0 H VAL A 23 1.331 -0.592 0.494 1.00 0.00 H new ATOM 0 HA VAL A 23 2.898 1.367 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 23 0.524 1.960 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.841 4.292 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.264 3.670 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.296 3.812 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.578 2.765 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.818 2.221 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.186 1.032 -1.381 1.00 0.00 H new ATOM 321 N SER A 24 4.366 1.734 0.909 1.00 0.00 N ATOM 322 CA SER A 24 5.280 1.903 2.032 1.00 0.00 C ATOM 323 C SER A 24 4.798 3.010 2.964 1.00 0.00 C ATOM 324 O SER A 24 4.247 4.017 2.516 1.00 0.00 O ATOM 325 CB SER A 24 6.689 2.222 1.528 1.00 0.00 C ATOM 326 OG SER A 24 7.087 1.311 0.518 1.00 0.00 O ATOM 0 H SER A 24 4.760 1.989 0.003 1.00 0.00 H new ATOM 0 HA SER A 24 5.305 0.967 2.591 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.717 3.239 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.394 2.180 2.358 1.00 0.00 H new ATOM 0 HG SER A 24 7.990 1.537 0.211 1.00 0.00 H new ATOM 332 N ARG A 25 5.007 2.816 4.262 1.00 0.00 N ATOM 333 CA ARG A 25 4.593 3.798 5.257 1.00 0.00 C ATOM 334 C ARG A 25 4.938 5.213 4.801 1.00 0.00 C ATOM 335 O ARG A 25 4.116 6.125 4.903 1.00 0.00 O ATOM 336 CB ARG A 25 5.263 3.506 6.601 1.00 0.00 C ATOM 337 CG ARG A 25 4.533 2.463 7.431 1.00 0.00 C ATOM 338 CD ARG A 25 5.173 2.294 8.801 1.00 0.00 C ATOM 339 NE ARG A 25 4.643 3.246 9.773 1.00 0.00 N ATOM 340 CZ ARG A 25 3.376 3.262 10.172 1.00 0.00 C ATOM 341 NH1 ARG A 25 2.513 2.380 9.686 1.00 0.00 N ATOM 342 NH2 ARG A 25 2.971 4.161 11.061 1.00 0.00 N ATOM 0 H ARG A 25 5.460 1.988 4.649 1.00 0.00 H new ATOM 0 HA ARG A 25 3.512 3.726 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.284 3.167 6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.330 4.432 7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.490 2.755 7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.539 1.508 6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.003 1.278 9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.252 2.425 8.716 1.00 0.00 H new ATOM 0 HE ARG A 25 5.281 3.937 10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.822 1.687 9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.541 2.395 9.994 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.633 4.840 11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.998 4.173 11.367 1.00 0.00 H new ATOM 356 N SER A 26 6.156 5.387 4.300 1.00 0.00 N ATOM 357 CA SER A 26 6.610 6.692 3.833 1.00 0.00 C ATOM 358 C SER A 26 5.866 7.106 2.567 1.00 0.00 C ATOM 359 O SER A 26 5.170 8.120 2.547 1.00 0.00 O ATOM 360 CB SER A 26 8.116 6.665 3.567 1.00 0.00 C ATOM 361 OG SER A 26 8.830 6.236 4.713 1.00 0.00 O ATOM 0 H SER A 26 6.846 4.642 4.207 1.00 0.00 H new ATOM 0 HA SER A 26 6.398 7.423 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.329 5.998 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.455 7.659 3.275 1.00 0.00 H new ATOM 0 HG SER A 26 9.790 6.226 4.516 1.00 0.00 H new ATOM 367 N ALA A 27 6.017 6.311 1.513 1.00 0.00 N ATOM 368 CA ALA A 27 5.357 6.592 0.243 1.00 0.00 C ATOM 369 C ALA A 27 3.940 7.109 0.464 1.00 0.00 C ATOM 370 O ALA A 27 3.493 8.033 -0.216 1.00 0.00 O ATOM 371 CB ALA A 27 5.338 5.345 -0.629 1.00 0.00 C ATOM 0 H ALA A 27 6.590 5.467 1.513 1.00 0.00 H new ATOM 0 HA ALA A 27 5.923 7.370 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.842 5.569 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.361 5.021 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.797 4.550 -0.115 1.00 0.00 H new ATOM 377 N ALA A 28 3.236 6.507 1.417 1.00 0.00 N ATOM 378 CA ALA A 28 1.870 6.906 1.727 1.00 0.00 C ATOM 379 C ALA A 28 1.805 8.378 2.124 1.00 0.00 C ATOM 380 O ALA A 28 1.166 9.183 1.448 1.00 0.00 O ATOM 381 CB ALA A 28 1.303 6.033 2.836 1.00 0.00 C ATOM 0 H ALA A 28 3.591 5.740 1.988 1.00 0.00 H new ATOM 0 HA ALA A 28 1.266 6.771 0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.282 6.343 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.305 4.991 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.916 6.138 3.731 1.00 0.00 H new ATOM 387 N GLU A 29 2.472 8.719 3.221 1.00 0.00 N ATOM 388 CA GLU A 29 2.487 10.094 3.707 1.00 0.00 C ATOM 389 C GLU A 29 3.014 11.044 2.635 1.00 0.00 C ATOM 390 O GLU A 29 2.398 12.068 2.341 1.00 0.00 O ATOM 391 CB GLU A 29 3.347 10.204 4.968 1.00 0.00 C ATOM 392 CG GLU A 29 2.635 9.748 6.232 1.00 0.00 C ATOM 393 CD GLU A 29 3.480 9.934 7.477 1.00 0.00 C ATOM 394 OE1 GLU A 29 4.173 8.973 7.871 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.449 11.039 8.055 1.00 0.00 O ATOM 0 H GLU A 29 3.008 8.064 3.790 1.00 0.00 H new ATOM 0 HA GLU A 29 1.463 10.378 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.250 9.609 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.663 11.240 5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.705 10.306 6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.366 8.696 6.134 1.00 0.00 H new ATOM 403 N TYR A 30 4.157 10.696 2.056 1.00 0.00 N ATOM 404 CA TYR A 30 4.770 11.517 1.020 1.00 0.00 C ATOM 405 C TYR A 30 3.768 11.838 -0.085 1.00 0.00 C ATOM 406 O TYR A 30 3.451 13.001 -0.336 1.00 0.00 O ATOM 407 CB TYR A 30 5.988 10.806 0.428 1.00 0.00 C ATOM 408 CG TYR A 30 6.802 11.673 -0.506 1.00 0.00 C ATOM 409 CD1 TYR A 30 7.515 12.765 -0.028 1.00 0.00 C ATOM 410 CD2 TYR A 30 6.859 11.399 -1.867 1.00 0.00 C ATOM 411 CE1 TYR A 30 8.258 13.560 -0.878 1.00 0.00 C ATOM 412 CE2 TYR A 30 7.602 12.187 -2.724 1.00 0.00 C ATOM 413 CZ TYR A 30 8.299 13.268 -2.225 1.00 0.00 C ATOM 414 OH TYR A 30 9.040 14.057 -3.074 1.00 0.00 O ATOM 0 H TYR A 30 4.678 9.850 2.287 1.00 0.00 H new ATOM 0 HA TYR A 30 5.092 12.453 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.628 10.462 1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.654 9.920 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.488 12.996 1.027 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.313 10.555 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.805 14.407 -0.490 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.637 11.958 -3.779 1.00 0.00 H new ATOM 0 HH TYR A 30 8.963 13.715 -3.989 1.00 0.00 H new ATOM 424 N LEU A 31 3.272 10.797 -0.744 1.00 0.00 N ATOM 425 CA LEU A 31 2.304 10.963 -1.823 1.00 0.00 C ATOM 426 C LEU A 31 1.272 12.030 -1.468 1.00 0.00 C ATOM 427 O LEU A 31 0.925 12.872 -2.297 1.00 0.00 O ATOM 428 CB LEU A 31 1.602 9.636 -2.116 1.00 0.00 C ATOM 429 CG LEU A 31 1.138 9.426 -3.557 1.00 0.00 C ATOM 430 CD1 LEU A 31 0.887 7.951 -3.827 1.00 0.00 C ATOM 431 CD2 LEU A 31 -0.114 10.244 -3.841 1.00 0.00 C ATOM 0 H LEU A 31 3.524 9.828 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 31 2.843 11.285 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.279 8.824 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.735 9.554 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 31 1.928 9.767 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.557 7.821 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.808 7.390 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.116 7.583 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.429 10.081 -4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.911 9.935 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.101 11.302 -3.690 1.00 0.00 H new ATOM 443 N LEU A 32 0.789 11.990 -0.232 1.00 0.00 N ATOM 444 CA LEU A 32 -0.201 12.954 0.234 1.00 0.00 C ATOM 445 C LEU A 32 0.412 14.345 0.365 1.00 0.00 C ATOM 446 O LEU A 32 -0.044 15.297 -0.269 1.00 0.00 O ATOM 447 CB LEU A 32 -0.780 12.511 1.579 1.00 0.00 C ATOM 448 CG LEU A 32 -1.473 11.148 1.595 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.800 10.733 3.021 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.734 11.180 0.744 1.00 0.00 C ATOM 0 H LEU A 32 1.067 11.300 0.466 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.003 12.998 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.027 12.495 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.495 13.264 1.910 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.792 10.410 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.293 9.761 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.880 10.669 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.462 11.472 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.214 10.201 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.420 11.930 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.473 11.432 -0.284 1.00 0.00 H new ATOM 462 N SER A 33 1.449 14.453 1.188 1.00 0.00 N ATOM 463 CA SER A 33 2.124 15.728 1.404 1.00 0.00 C ATOM 464 C SER A 33 2.304 16.477 0.087 1.00 0.00 C ATOM 465 O SER A 33 1.971 17.657 -0.019 1.00 0.00 O ATOM 466 CB SER A 33 3.485 15.503 2.065 1.00 0.00 C ATOM 467 OG SER A 33 4.295 14.641 1.283 1.00 0.00 O ATOM 0 H SER A 33 1.841 13.673 1.717 1.00 0.00 H new ATOM 0 HA SER A 33 1.502 16.333 2.064 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.990 16.459 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.345 15.074 3.057 1.00 0.00 H new ATOM 0 HG SER A 33 3.725 14.016 0.788 1.00 0.00 H new ATOM 473 N SER A 34 2.830 15.780 -0.915 1.00 0.00 N ATOM 474 CA SER A 34 3.057 16.379 -2.226 1.00 0.00 C ATOM 475 C SER A 34 1.740 16.819 -2.858 1.00 0.00 C ATOM 476 O SER A 34 1.610 17.951 -3.324 1.00 0.00 O ATOM 477 CB SER A 34 3.773 15.388 -3.145 1.00 0.00 C ATOM 478 OG SER A 34 5.130 15.232 -2.770 1.00 0.00 O ATOM 0 H SER A 34 3.107 14.801 -0.845 1.00 0.00 H new ATOM 0 HA SER A 34 3.686 17.259 -2.093 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.269 14.422 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.715 15.737 -4.176 1.00 0.00 H new ATOM 0 HG SER A 34 5.564 14.592 -3.372 1.00 0.00 H new ATOM 484 N LEU A 35 0.767 15.915 -2.870 1.00 0.00 N ATOM 485 CA LEU A 35 -0.541 16.208 -3.445 1.00 0.00 C ATOM 486 C LEU A 35 -1.150 17.452 -2.807 1.00 0.00 C ATOM 487 O LEU A 35 -0.632 17.971 -1.818 1.00 0.00 O ATOM 488 CB LEU A 35 -1.480 15.014 -3.260 1.00 0.00 C ATOM 489 CG LEU A 35 -1.278 13.846 -4.229 1.00 0.00 C ATOM 490 CD1 LEU A 35 -2.036 12.619 -3.749 1.00 0.00 C ATOM 491 CD2 LEU A 35 -1.723 14.234 -5.632 1.00 0.00 C ATOM 0 H LEU A 35 0.859 14.974 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.408 16.397 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.365 14.640 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.507 15.366 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.216 13.604 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.881 11.799 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.671 12.328 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.100 12.849 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.572 13.392 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.779 14.503 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.137 15.085 -5.977 1.00 0.00 H new ATOM 503 N ILE A 36 -2.254 17.922 -3.376 1.00 0.00 N ATOM 504 CA ILE A 36 -2.937 19.103 -2.861 1.00 0.00 C ATOM 505 C ILE A 36 -3.302 18.928 -1.391 1.00 0.00 C ATOM 506 O ILE A 36 -3.035 17.886 -0.795 1.00 0.00 O ATOM 507 CB ILE A 36 -4.215 19.410 -3.663 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.243 18.292 -3.473 1.00 0.00 C ATOM 509 CG2 ILE A 36 -3.885 19.590 -5.136 1.00 0.00 C ATOM 510 CD1 ILE A 36 -6.674 18.754 -3.636 1.00 0.00 C ATOM 0 H ILE A 36 -2.696 17.503 -4.195 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.245 19.938 -2.965 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.645 20.340 -3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.042 17.498 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.120 17.861 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.799 19.806 -5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.185 20.417 -5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.435 18.676 -5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.348 17.910 -3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.893 19.527 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.814 19.158 -4.638 1.00 0.00 H new ATOM 522 N ASN A 37 -3.915 19.956 -0.813 1.00 0.00 N ATOM 523 CA ASN A 37 -4.319 19.915 0.588 1.00 0.00 C ATOM 524 C ASN A 37 -5.696 19.277 0.739 1.00 0.00 C ATOM 525 O ASN A 37 -6.536 19.761 1.496 1.00 0.00 O ATOM 526 CB ASN A 37 -4.332 21.328 1.178 1.00 0.00 C ATOM 527 CG ASN A 37 -2.974 22.000 1.098 1.00 0.00 C ATOM 528 OD1 ASN A 37 -2.000 21.405 0.638 1.00 0.00 O ATOM 529 ND2 ASN A 37 -2.905 23.247 1.548 1.00 0.00 N ATOM 0 H ASN A 37 -4.143 20.827 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.595 19.307 1.131 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.066 21.934 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.651 21.281 2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.018 23.751 1.521 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.738 23.701 1.921 1.00 0.00 H new ATOM 536 N GLY A 38 -5.919 18.185 0.015 1.00 0.00 N ATOM 537 CA GLY A 38 -7.194 17.497 0.083 1.00 0.00 C ATOM 538 C GLY A 38 -7.232 16.260 -0.792 1.00 0.00 C ATOM 539 O GLY A 38 -7.881 16.251 -1.839 1.00 0.00 O ATOM 0 H GLY A 38 -5.239 17.764 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.396 17.214 1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.988 18.179 -0.222 1.00 0.00 H new ATOM 543 N SER A 39 -6.536 15.212 -0.364 1.00 0.00 N ATOM 544 CA SER A 39 -6.489 13.964 -1.119 1.00 0.00 C ATOM 545 C SER A 39 -6.428 12.764 -0.180 1.00 0.00 C ATOM 546 O SER A 39 -5.768 12.807 0.860 1.00 0.00 O ATOM 547 CB SER A 39 -5.279 13.957 -2.056 1.00 0.00 C ATOM 548 OG SER A 39 -5.458 14.868 -3.127 1.00 0.00 O ATOM 0 H SER A 39 -5.997 15.202 0.502 1.00 0.00 H new ATOM 0 HA SER A 39 -7.400 13.891 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.381 14.220 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.126 12.952 -2.451 1.00 0.00 H new ATOM 0 HG SER A 39 -4.671 14.846 -3.710 1.00 0.00 H new ATOM 554 N PHE A 40 -7.118 11.692 -0.555 1.00 0.00 N ATOM 555 CA PHE A 40 -7.143 10.478 0.253 1.00 0.00 C ATOM 556 C PHE A 40 -6.631 9.281 -0.546 1.00 0.00 C ATOM 557 O PHE A 40 -6.644 9.293 -1.778 1.00 0.00 O ATOM 558 CB PHE A 40 -8.562 10.202 0.752 1.00 0.00 C ATOM 559 CG PHE A 40 -9.389 9.393 -0.206 1.00 0.00 C ATOM 560 CD1 PHE A 40 -10.060 10.009 -1.252 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.493 8.020 -0.065 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.822 9.268 -2.135 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.254 7.273 -0.945 1.00 0.00 C ATOM 564 CZ PHE A 40 -10.918 7.899 -1.983 1.00 0.00 C ATOM 0 H PHE A 40 -7.667 11.639 -1.413 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.486 10.628 1.110 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.507 9.676 1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.063 11.151 0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.986 11.079 -1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.973 7.526 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.342 9.759 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.329 6.203 -0.822 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.511 7.318 -2.674 1.00 0.00 H new ATOM 574 N LEU A 41 -6.180 8.254 0.165 1.00 0.00 N ATOM 575 CA LEU A 41 -5.664 7.050 -0.477 1.00 0.00 C ATOM 576 C LEU A 41 -5.855 5.832 0.420 1.00 0.00 C ATOM 577 O LEU A 41 -5.961 5.955 1.640 1.00 0.00 O ATOM 578 CB LEU A 41 -4.182 7.223 -0.812 1.00 0.00 C ATOM 579 CG LEU A 41 -3.193 6.806 0.277 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.861 5.327 0.160 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.927 7.646 0.199 1.00 0.00 C ATOM 0 H LEU A 41 -6.161 8.230 1.185 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.223 6.891 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.964 6.648 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.005 8.271 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.659 6.977 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.156 5.049 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.773 4.740 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.416 5.130 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.235 7.335 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.458 7.508 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.179 8.698 0.335 1.00 0.00 H new ATOM 593 N VAL A 42 -5.895 4.652 -0.194 1.00 0.00 N ATOM 594 CA VAL A 42 -6.070 3.409 0.549 1.00 0.00 C ATOM 595 C VAL A 42 -4.935 2.432 0.260 1.00 0.00 C ATOM 596 O VAL A 42 -4.701 2.061 -0.890 1.00 0.00 O ATOM 597 CB VAL A 42 -7.412 2.736 0.209 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.503 1.366 0.863 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.574 3.619 0.637 1.00 0.00 C ATOM 0 H VAL A 42 -5.809 4.532 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.061 3.669 1.608 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.468 2.601 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.458 0.905 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.690 0.736 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.426 1.473 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.515 3.128 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.525 3.788 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.516 4.575 0.116 1.00 0.00 H new ATOM 609 N ARG A 43 -4.235 2.020 1.311 1.00 0.00 N ATOM 610 CA ARG A 43 -3.125 1.086 1.171 1.00 0.00 C ATOM 611 C ARG A 43 -3.330 -0.142 2.053 1.00 0.00 C ATOM 612 O ARG A 43 -4.327 -0.244 2.768 1.00 0.00 O ATOM 613 CB ARG A 43 -1.805 1.771 1.531 1.00 0.00 C ATOM 614 CG ARG A 43 -1.855 2.536 2.844 1.00 0.00 C ATOM 615 CD ARG A 43 -0.482 2.621 3.491 1.00 0.00 C ATOM 616 NE ARG A 43 0.085 1.302 3.751 1.00 0.00 N ATOM 617 CZ ARG A 43 1.209 1.105 4.429 1.00 0.00 C ATOM 618 NH1 ARG A 43 1.885 2.139 4.913 1.00 0.00 N ATOM 619 NH2 ARG A 43 1.662 -0.127 4.623 1.00 0.00 N ATOM 0 H ARG A 43 -4.417 2.318 2.269 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.087 0.762 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.019 1.018 1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.531 2.458 0.730 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.238 3.541 2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.550 2.046 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.190 3.182 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.557 3.174 4.427 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.410 0.486 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.541 3.088 4.764 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.748 1.985 5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.146 -0.924 4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.526 -0.277 5.144 1.00 0.00 H new ATOM 633 N GLU A 44 -2.381 -1.071 1.997 1.00 0.00 N ATOM 634 CA GLU A 44 -2.461 -2.291 2.791 1.00 0.00 C ATOM 635 C GLU A 44 -1.309 -2.367 3.788 1.00 0.00 C ATOM 636 O GLU A 44 -0.237 -1.808 3.559 1.00 0.00 O ATOM 637 CB GLU A 44 -2.443 -3.521 1.880 1.00 0.00 C ATOM 638 CG GLU A 44 -2.605 -4.835 2.626 1.00 0.00 C ATOM 639 CD GLU A 44 -2.946 -5.990 1.706 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.059 -6.542 1.834 1.00 0.00 O ATOM 641 OE2 GLU A 44 -2.100 -6.343 0.858 1.00 0.00 O ATOM 0 H GLU A 44 -1.549 -1.002 1.411 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.399 -2.272 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.243 -3.430 1.145 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.503 -3.540 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.682 -5.061 3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.389 -4.729 3.375 1.00 0.00 H new ATOM 649 N SER A 45 -1.539 -3.064 4.897 1.00 0.00 N ATOM 650 CA SER A 45 -0.522 -3.211 5.932 1.00 0.00 C ATOM 651 C SER A 45 0.159 -4.573 5.836 1.00 0.00 C ATOM 652 O SER A 45 -0.502 -5.612 5.864 1.00 0.00 O ATOM 653 CB SER A 45 -1.146 -3.037 7.317 1.00 0.00 C ATOM 654 OG SER A 45 -1.306 -1.666 7.635 1.00 0.00 O ATOM 0 H SER A 45 -2.420 -3.535 5.101 1.00 0.00 H new ATOM 0 HA SER A 45 0.230 -2.437 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.114 -3.536 7.348 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.516 -3.516 8.066 1.00 0.00 H new ATOM 0 HG SER A 45 -1.708 -1.581 8.525 1.00 0.00 H new ATOM 660 N GLU A 46 1.483 -4.560 5.724 1.00 0.00 N ATOM 661 CA GLU A 46 2.253 -5.793 5.622 1.00 0.00 C ATOM 662 C GLU A 46 2.115 -6.627 6.893 1.00 0.00 C ATOM 663 O GLU A 46 1.880 -7.834 6.834 1.00 0.00 O ATOM 664 CB GLU A 46 3.729 -5.481 5.365 1.00 0.00 C ATOM 665 CG GLU A 46 4.471 -6.598 4.649 1.00 0.00 C ATOM 666 CD GLU A 46 4.287 -7.944 5.321 1.00 0.00 C ATOM 667 OE1 GLU A 46 5.160 -8.329 6.127 1.00 0.00 O ATOM 668 OE2 GLU A 46 3.270 -8.612 5.040 1.00 0.00 O ATOM 0 H GLU A 46 2.045 -3.709 5.702 1.00 0.00 H new ATOM 0 HA GLU A 46 1.859 -6.368 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.801 -4.570 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.221 -5.281 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.121 -6.660 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.533 -6.357 4.611 1.00 0.00 H new ATOM 676 N SER A 47 2.261 -5.974 8.041 1.00 0.00 N ATOM 677 CA SER A 47 2.156 -6.654 9.327 1.00 0.00 C ATOM 678 C SER A 47 1.127 -7.779 9.264 1.00 0.00 C ATOM 679 O SER A 47 1.403 -8.910 9.663 1.00 0.00 O ATOM 680 CB SER A 47 1.776 -5.659 10.425 1.00 0.00 C ATOM 681 OG SER A 47 2.252 -6.088 11.689 1.00 0.00 O ATOM 0 H SER A 47 2.452 -4.974 8.107 1.00 0.00 H new ATOM 0 HA SER A 47 3.128 -7.088 9.562 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.190 -4.678 10.191 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.692 -5.547 10.460 1.00 0.00 H new ATOM 0 HG SER A 47 1.998 -5.434 12.373 1.00 0.00 H new ATOM 687 N SER A 48 -0.060 -7.457 8.761 1.00 0.00 N ATOM 688 CA SER A 48 -1.135 -8.438 8.650 1.00 0.00 C ATOM 689 C SER A 48 -1.612 -8.558 7.206 1.00 0.00 C ATOM 690 O SER A 48 -1.905 -7.567 6.537 1.00 0.00 O ATOM 691 CB SER A 48 -2.304 -8.049 9.555 1.00 0.00 C ATOM 692 OG SER A 48 -2.156 -8.608 10.849 1.00 0.00 O ATOM 0 H SER A 48 -0.302 -6.525 8.424 1.00 0.00 H new ATOM 0 HA SER A 48 -0.746 -9.405 8.968 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.365 -6.963 9.629 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.240 -8.391 9.113 1.00 0.00 H new ATOM 0 HG SER A 48 -2.916 -8.343 11.409 1.00 0.00 H new ATOM 698 N PRO A 49 -1.694 -9.803 6.712 1.00 0.00 N ATOM 699 CA PRO A 49 -2.136 -10.085 5.343 1.00 0.00 C ATOM 700 C PRO A 49 -3.621 -9.802 5.144 1.00 0.00 C ATOM 701 O PRO A 49 -4.191 -10.132 4.106 1.00 0.00 O ATOM 702 CB PRO A 49 -1.848 -11.578 5.178 1.00 0.00 C ATOM 703 CG PRO A 49 -1.882 -12.127 6.563 1.00 0.00 C ATOM 704 CD PRO A 49 -1.362 -11.032 7.453 1.00 0.00 C ATOM 0 HA PRO A 49 -1.627 -9.456 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.594 -12.057 4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.878 -11.744 4.710 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.895 -12.412 6.846 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.265 -13.022 6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.838 -11.051 8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.289 -11.124 7.618 1.00 0.00 H new ATOM 712 N GLY A 50 -4.242 -9.188 6.147 1.00 0.00 N ATOM 713 CA GLY A 50 -5.657 -8.872 6.061 1.00 0.00 C ATOM 714 C GLY A 50 -6.039 -7.688 6.927 1.00 0.00 C ATOM 715 O GLY A 50 -7.085 -7.698 7.574 1.00 0.00 O ATOM 0 H GLY A 50 -3.791 -8.904 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.916 -8.659 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.240 -9.742 6.363 1.00 0.00 H new ATOM 719 N GLN A 51 -5.188 -6.667 6.940 1.00 0.00 N ATOM 720 CA GLN A 51 -5.443 -5.471 7.735 1.00 0.00 C ATOM 721 C GLN A 51 -5.315 -4.213 6.882 1.00 0.00 C ATOM 722 O GLN A 51 -4.234 -3.633 6.770 1.00 0.00 O ATOM 723 CB GLN A 51 -4.472 -5.402 8.915 1.00 0.00 C ATOM 724 CG GLN A 51 -4.890 -6.259 10.098 1.00 0.00 C ATOM 725 CD GLN A 51 -5.856 -5.547 11.023 1.00 0.00 C ATOM 726 OE1 GLN A 51 -5.443 -4.866 11.964 1.00 0.00 O ATOM 727 NE2 GLN A 51 -7.148 -5.700 10.763 1.00 0.00 N ATOM 0 H GLN A 51 -4.317 -6.644 6.410 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.463 -5.528 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.484 -5.717 8.580 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.383 -4.366 9.241 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.353 -7.176 9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.004 -6.552 10.661 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.445 -6.273 9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.844 -5.245 11.353 1.00 0.00 H new ATOM 736 N LEU A 52 -6.424 -3.797 6.282 1.00 0.00 N ATOM 737 CA LEU A 52 -6.438 -2.607 5.438 1.00 0.00 C ATOM 738 C LEU A 52 -6.593 -1.344 6.280 1.00 0.00 C ATOM 739 O LEU A 52 -6.865 -1.416 7.478 1.00 0.00 O ATOM 740 CB LEU A 52 -7.572 -2.695 4.416 1.00 0.00 C ATOM 741 CG LEU A 52 -7.276 -3.503 3.152 1.00 0.00 C ATOM 742 CD1 LEU A 52 -6.208 -2.816 2.317 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.845 -4.918 3.513 1.00 0.00 C ATOM 0 H LEU A 52 -7.326 -4.266 6.364 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.486 -2.555 4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.443 -3.131 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.847 -1.683 4.120 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.189 -3.562 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.011 -3.406 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.554 -1.823 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.292 -2.725 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.638 -5.479 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.945 -4.879 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.643 -5.411 4.069 1.00 0.00 H new ATOM 755 N SER A 53 -6.420 -0.190 5.644 1.00 0.00 N ATOM 756 CA SER A 53 -6.540 1.088 6.335 1.00 0.00 C ATOM 757 C SER A 53 -6.709 2.231 5.337 1.00 0.00 C ATOM 758 O SER A 53 -6.155 2.196 4.238 1.00 0.00 O ATOM 759 CB SER A 53 -5.310 1.338 7.208 1.00 0.00 C ATOM 760 OG SER A 53 -5.368 0.573 8.399 1.00 0.00 O ATOM 0 H SER A 53 -6.196 -0.114 4.652 1.00 0.00 H new ATOM 0 HA SER A 53 -7.425 1.048 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.408 1.084 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.244 2.398 7.455 1.00 0.00 H new ATOM 0 HG SER A 53 -6.050 -0.124 8.307 1.00 0.00 H new ATOM 766 N ILE A 54 -7.478 3.241 5.729 1.00 0.00 N ATOM 767 CA ILE A 54 -7.721 4.395 4.871 1.00 0.00 C ATOM 768 C ILE A 54 -6.927 5.608 5.344 1.00 0.00 C ATOM 769 O ILE A 54 -7.312 6.278 6.301 1.00 0.00 O ATOM 770 CB ILE A 54 -9.217 4.758 4.825 1.00 0.00 C ATOM 771 CG1 ILE A 54 -10.029 3.596 4.251 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.429 6.020 4.001 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.439 3.519 4.794 1.00 0.00 C ATOM 0 H ILE A 54 -7.944 3.284 6.635 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.393 4.118 3.869 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.562 4.949 5.841 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.071 3.693 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.513 2.661 4.468 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.491 6.265 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.876 6.845 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.072 5.855 2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.957 2.672 4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.406 3.390 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.972 4.439 4.554 1.00 0.00 H new ATOM 785 N SER A 55 -5.818 5.885 4.664 1.00 0.00 N ATOM 786 CA SER A 55 -4.969 7.017 5.017 1.00 0.00 C ATOM 787 C SER A 55 -5.334 8.247 4.192 1.00 0.00 C ATOM 788 O SER A 55 -4.883 8.404 3.056 1.00 0.00 O ATOM 789 CB SER A 55 -3.496 6.663 4.802 1.00 0.00 C ATOM 790 OG SER A 55 -3.019 5.816 5.833 1.00 0.00 O ATOM 0 H SER A 55 -5.487 5.342 3.867 1.00 0.00 H new ATOM 0 HA SER A 55 -5.130 7.247 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.374 6.171 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.900 7.575 4.772 1.00 0.00 H new ATOM 0 HG SER A 55 -2.076 5.603 5.671 1.00 0.00 H new ATOM 796 N LEU A 56 -6.153 9.117 4.771 1.00 0.00 N ATOM 797 CA LEU A 56 -6.582 10.336 4.090 1.00 0.00 C ATOM 798 C LEU A 56 -5.969 11.569 4.746 1.00 0.00 C ATOM 799 O LEU A 56 -6.028 11.730 5.966 1.00 0.00 O ATOM 800 CB LEU A 56 -8.107 10.441 4.103 1.00 0.00 C ATOM 801 CG LEU A 56 -8.719 11.184 5.291 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.526 12.685 5.139 1.00 0.00 C ATOM 803 CD2 LEU A 56 -10.197 10.846 5.428 1.00 0.00 C ATOM 0 H LEU A 56 -6.534 9.002 5.710 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.237 10.287 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.425 10.938 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.521 9.433 4.079 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.207 10.862 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.968 13.197 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.461 12.912 5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.011 13.023 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.616 11.384 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.723 11.138 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.312 9.773 5.585 1.00 0.00 H new ATOM 815 N ARG A 57 -5.384 12.439 3.930 1.00 0.00 N ATOM 816 CA ARG A 57 -4.761 13.658 4.431 1.00 0.00 C ATOM 817 C ARG A 57 -5.813 14.730 4.708 1.00 0.00 C ATOM 818 O ARG A 57 -6.712 14.956 3.897 1.00 0.00 O ATOM 819 CB ARG A 57 -3.736 14.183 3.425 1.00 0.00 C ATOM 820 CG ARG A 57 -3.035 15.454 3.876 1.00 0.00 C ATOM 821 CD ARG A 57 -1.781 15.144 4.679 1.00 0.00 C ATOM 822 NE ARG A 57 -0.780 16.200 4.561 1.00 0.00 N ATOM 823 CZ ARG A 57 0.338 16.238 5.276 1.00 0.00 C ATOM 824 NH1 ARG A 57 0.598 15.280 6.156 1.00 0.00 N ATOM 825 NH2 ARG A 57 1.201 17.233 5.112 1.00 0.00 N ATOM 0 H ARG A 57 -5.328 12.322 2.918 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.253 13.420 5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.988 13.411 3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.236 14.371 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.771 16.054 3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.717 16.052 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.046 15.011 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.355 14.201 4.336 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.949 16.951 3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.062 14.513 6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.457 15.311 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.006 17.971 4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.059 17.260 5.663 1.00 0.00 H new ATOM 839 N TYR A 58 -5.692 15.384 5.858 1.00 0.00 N ATOM 840 CA TYR A 58 -6.633 16.430 6.242 1.00 0.00 C ATOM 841 C TYR A 58 -6.012 17.369 7.274 1.00 0.00 C ATOM 842 O TYR A 58 -5.563 16.934 8.333 1.00 0.00 O ATOM 843 CB TYR A 58 -7.913 15.810 6.807 1.00 0.00 C ATOM 844 CG TYR A 58 -8.962 16.831 7.191 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.860 17.318 6.250 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.052 17.309 8.492 1.00 0.00 C ATOM 847 CE1 TYR A 58 -10.820 18.250 6.595 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.009 18.240 8.845 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.890 18.708 7.894 1.00 0.00 C ATOM 850 OH TYR A 58 -11.844 19.636 8.242 1.00 0.00 O ATOM 0 H TYR A 58 -4.953 15.209 6.539 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.878 17.008 5.351 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.334 15.129 6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.661 15.213 7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.807 16.962 5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.362 16.947 9.240 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.512 18.618 5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.067 18.600 9.862 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.758 19.852 9.194 1.00 0.00 H new ATOM 860 N GLU A 59 -5.991 18.659 6.951 1.00 0.00 N ATOM 861 CA GLU A 59 -5.425 19.658 7.849 1.00 0.00 C ATOM 862 C GLU A 59 -3.936 19.411 8.070 1.00 0.00 C ATOM 863 O GLU A 59 -3.413 19.641 9.160 1.00 0.00 O ATOM 864 CB GLU A 59 -6.160 19.647 9.190 1.00 0.00 C ATOM 865 CG GLU A 59 -7.406 20.519 9.209 1.00 0.00 C ATOM 866 CD GLU A 59 -7.709 21.074 10.588 1.00 0.00 C ATOM 867 OE1 GLU A 59 -7.622 20.305 11.568 1.00 0.00 O ATOM 868 OE2 GLU A 59 -8.030 22.276 10.687 1.00 0.00 O ATOM 0 H GLU A 59 -6.358 19.035 6.077 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.548 20.636 7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.440 18.622 9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.479 19.984 9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.278 21.345 8.509 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.258 19.936 8.861 1.00 0.00 H new ATOM 876 N GLY A 60 -3.260 18.940 7.027 1.00 0.00 N ATOM 877 CA GLY A 60 -1.836 18.668 7.128 1.00 0.00 C ATOM 878 C GLY A 60 -1.534 17.498 8.044 1.00 0.00 C ATOM 879 O GLY A 60 -0.569 17.534 8.809 1.00 0.00 O ATOM 0 H GLY A 60 -3.671 18.742 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.437 18.461 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.325 19.557 7.498 1.00 0.00 H new ATOM 883 N ARG A 61 -2.361 16.461 7.970 1.00 0.00 N ATOM 884 CA ARG A 61 -2.178 15.277 8.802 1.00 0.00 C ATOM 885 C ARG A 61 -2.757 14.040 8.122 1.00 0.00 C ATOM 886 O ARG A 61 -3.743 14.124 7.389 1.00 0.00 O ATOM 887 CB ARG A 61 -2.841 15.479 10.167 1.00 0.00 C ATOM 888 CG ARG A 61 -2.102 16.459 11.064 1.00 0.00 C ATOM 889 CD ARG A 61 -2.480 16.269 12.524 1.00 0.00 C ATOM 890 NE ARG A 61 -1.990 17.361 13.362 1.00 0.00 N ATOM 891 CZ ARG A 61 -2.070 17.362 14.688 1.00 0.00 C ATOM 892 NH1 ARG A 61 -2.617 16.335 15.324 1.00 0.00 N ATOM 893 NH2 ARG A 61 -1.601 18.392 15.381 1.00 0.00 N ATOM 0 H ARG A 61 -3.164 16.416 7.343 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.108 15.125 8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.861 15.834 10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.910 14.517 10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.027 16.324 10.945 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.331 17.479 10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.564 16.203 12.612 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.072 15.324 12.884 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.563 18.166 12.904 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.978 15.541 14.795 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.677 16.339 16.342 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.179 19.183 14.896 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.663 18.392 16.399 1.00 0.00 H new ATOM 907 N VAL A 62 -2.135 12.892 8.368 1.00 0.00 N ATOM 908 CA VAL A 62 -2.586 11.636 7.779 1.00 0.00 C ATOM 909 C VAL A 62 -3.398 10.821 8.780 1.00 0.00 C ATOM 910 O VAL A 62 -2.874 10.367 9.798 1.00 0.00 O ATOM 911 CB VAL A 62 -1.401 10.788 7.286 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.892 9.615 6.452 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.426 11.646 6.492 1.00 0.00 C ATOM 0 H VAL A 62 -1.317 12.805 8.971 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.216 11.895 6.928 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.876 10.390 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.039 9.027 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.547 8.988 7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.442 9.988 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.406 11.030 6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.937 12.075 5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.048 12.448 7.126 1.00 0.00 H new ATOM 923 N TYR A 63 -4.680 10.638 8.485 1.00 0.00 N ATOM 924 CA TYR A 63 -5.566 9.880 9.360 1.00 0.00 C ATOM 925 C TYR A 63 -5.788 8.469 8.820 1.00 0.00 C ATOM 926 O TYR A 63 -6.274 8.289 7.703 1.00 0.00 O ATOM 927 CB TYR A 63 -6.908 10.596 9.509 1.00 0.00 C ATOM 928 CG TYR A 63 -6.805 11.936 10.203 1.00 0.00 C ATOM 929 CD1 TYR A 63 -6.341 12.028 11.510 1.00 0.00 C ATOM 930 CD2 TYR A 63 -7.173 13.109 9.554 1.00 0.00 C ATOM 931 CE1 TYR A 63 -6.246 13.249 12.150 1.00 0.00 C ATOM 932 CE2 TYR A 63 -7.080 14.333 10.185 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.616 14.399 11.483 1.00 0.00 C ATOM 934 OH TYR A 63 -6.522 15.617 12.116 1.00 0.00 O ATOM 0 H TYR A 63 -5.129 11.005 7.646 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.091 9.806 10.338 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.345 10.740 8.521 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.591 9.957 10.069 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.050 11.130 12.034 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.538 13.062 8.539 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.884 13.303 13.166 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.369 15.235 9.665 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.820 16.325 11.508 1.00 0.00 H new ATOM 944 N HIS A 64 -5.427 7.472 9.623 1.00 0.00 N ATOM 945 CA HIS A 64 -5.587 6.077 9.227 1.00 0.00 C ATOM 946 C HIS A 64 -6.797 5.454 9.915 1.00 0.00 C ATOM 947 O HIS A 64 -7.060 5.715 11.090 1.00 0.00 O ATOM 948 CB HIS A 64 -4.326 5.283 9.567 1.00 0.00 C ATOM 949 CG HIS A 64 -4.209 4.935 11.019 1.00 0.00 C ATOM 950 ND1 HIS A 64 -3.741 3.718 11.466 1.00 0.00 N ATOM 951 CD2 HIS A 64 -4.501 5.656 12.127 1.00 0.00 C ATOM 952 CE1 HIS A 64 -3.752 3.703 12.788 1.00 0.00 C ATOM 953 NE2 HIS A 64 -4.208 4.867 13.213 1.00 0.00 N ATOM 0 H HIS A 64 -5.023 7.604 10.550 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.748 6.045 8.149 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.316 4.365 8.980 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.451 5.861 9.269 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.891 6.663 12.152 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.441 2.879 13.413 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.324 5.137 14.190 1.00 0.00 H new ATOM 962 N TYR A 65 -7.531 4.628 9.177 1.00 0.00 N ATOM 963 CA TYR A 65 -8.716 3.968 9.715 1.00 0.00 C ATOM 964 C TYR A 65 -8.653 2.463 9.486 1.00 0.00 C ATOM 965 O TYR A 65 -8.944 1.977 8.393 1.00 0.00 O ATOM 966 CB TYR A 65 -9.979 4.542 9.072 1.00 0.00 C ATOM 967 CG TYR A 65 -10.114 6.040 9.230 1.00 0.00 C ATOM 968 CD1 TYR A 65 -10.674 6.590 10.375 1.00 0.00 C ATOM 969 CD2 TYR A 65 -9.684 6.904 8.230 1.00 0.00 C ATOM 970 CE1 TYR A 65 -10.798 7.958 10.523 1.00 0.00 C ATOM 971 CE2 TYR A 65 -9.804 8.273 8.369 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.362 8.795 9.518 1.00 0.00 C ATOM 973 OH TYR A 65 -10.485 10.159 9.660 1.00 0.00 O ATOM 0 H TYR A 65 -7.326 4.399 8.204 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.747 4.151 10.789 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.980 4.296 8.010 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.852 4.059 9.512 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.019 5.937 11.164 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.249 6.498 7.329 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -11.234 8.370 11.421 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.463 8.931 7.583 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.885 10.362 10.531 1.00 0.00 H new ATOM 983 N ARG A 66 -8.269 1.728 10.525 1.00 0.00 N ATOM 984 CA ARG A 66 -8.167 0.276 10.439 1.00 0.00 C ATOM 985 C ARG A 66 -9.485 -0.334 9.973 1.00 0.00 C ATOM 986 O ARG A 66 -10.496 -0.258 10.673 1.00 0.00 O ATOM 987 CB ARG A 66 -7.772 -0.310 11.795 1.00 0.00 C ATOM 988 CG ARG A 66 -6.970 -1.598 11.692 1.00 0.00 C ATOM 989 CD ARG A 66 -5.524 -1.324 11.307 1.00 0.00 C ATOM 990 NE ARG A 66 -4.795 -0.638 12.370 1.00 0.00 N ATOM 991 CZ ARG A 66 -4.395 -1.231 13.489 1.00 0.00 C ATOM 992 NH1 ARG A 66 -4.653 -2.517 13.689 1.00 0.00 N ATOM 993 NH2 ARG A 66 -3.737 -0.541 14.410 1.00 0.00 N ATOM 0 H ARG A 66 -8.023 2.115 11.436 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.396 0.033 9.708 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.188 0.429 12.344 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.674 -0.499 12.376 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.000 -2.124 12.646 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.427 -2.254 10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.026 -2.265 11.075 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.499 -0.719 10.401 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.581 0.352 12.246 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.159 -3.051 12.983 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.345 -2.971 14.549 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.537 0.448 14.260 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.431 -0.999 15.269 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.467 -0.939 8.791 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.660 -1.564 8.233 1.00 0.00 C ATOM 1009 C ILE A 67 -11.045 -2.813 9.019 1.00 0.00 C ATOM 1010 O ILE A 67 -10.297 -3.789 9.058 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.458 -1.943 6.753 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.109 -0.702 5.930 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.706 -2.617 6.205 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -10.131 -0.943 4.436 1.00 0.00 C ATOM 0 H ILE A 67 -8.639 -1.010 8.200 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.463 -0.831 8.305 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.629 -2.647 6.682 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.813 0.094 6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.118 -0.351 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.548 -2.879 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.913 -3.521 6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.553 -1.935 6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.874 -0.021 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.407 -1.717 4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.128 -1.265 4.134 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.218 -2.775 9.642 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.704 -3.904 10.427 1.00 0.00 C ATOM 1028 C ASN A 68 -13.387 -4.934 9.531 1.00 0.00 C ATOM 1029 O ASN A 68 -13.494 -4.746 8.319 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.678 -3.422 11.503 1.00 0.00 C ATOM 1031 CG ASN A 68 -13.041 -2.427 12.455 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -11.844 -2.499 12.735 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -13.841 -1.495 12.956 1.00 0.00 N ATOM 0 H ASN A 68 -12.850 -1.975 9.619 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.848 -4.377 10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.543 -2.962 11.026 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.044 -4.279 12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.470 -0.798 13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.827 -1.475 12.695 1.00 0.00 H new ATOM 1040 N THR A 69 -13.851 -6.023 10.137 1.00 0.00 N ATOM 1041 CA THR A 69 -14.522 -7.083 9.396 1.00 0.00 C ATOM 1042 C THR A 69 -15.508 -7.834 10.285 1.00 0.00 C ATOM 1043 O THR A 69 -15.194 -8.181 11.424 1.00 0.00 O ATOM 1044 CB THR A 69 -13.512 -8.084 8.808 1.00 0.00 C ATOM 1045 OG1 THR A 69 -12.442 -7.381 8.167 1.00 0.00 O ATOM 1046 CG2 THR A 69 -14.188 -9.010 7.808 1.00 0.00 C ATOM 0 H THR A 69 -13.774 -6.193 11.140 1.00 0.00 H new ATOM 0 HA THR A 69 -15.063 -6.605 8.580 1.00 0.00 H new ATOM 0 HB THR A 69 -13.113 -8.686 9.624 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.803 -8.025 7.797 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.455 -9.709 7.406 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.983 -9.565 8.306 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.612 -8.420 6.995 1.00 0.00 H new ATOM 1054 N THR A 70 -16.701 -8.085 9.757 1.00 0.00 N ATOM 1055 CA THR A 70 -17.733 -8.796 10.501 1.00 0.00 C ATOM 1056 C THR A 70 -17.684 -10.292 10.216 1.00 0.00 C ATOM 1057 O THR A 70 -16.791 -10.772 9.518 1.00 0.00 O ATOM 1058 CB THR A 70 -19.139 -8.266 10.160 1.00 0.00 C ATOM 1059 OG1 THR A 70 -19.580 -8.813 8.913 1.00 0.00 O ATOM 1060 CG2 THR A 70 -19.139 -6.747 10.080 1.00 0.00 C ATOM 0 H THR A 70 -16.977 -7.806 8.816 1.00 0.00 H new ATOM 0 HA THR A 70 -17.535 -8.623 11.559 1.00 0.00 H new ATOM 0 HB THR A 70 -19.821 -8.573 10.953 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.492 -9.158 9.011 1.00 0.00 H new ATOM 0 HG21 THR A 70 -20.142 -6.395 9.838 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.831 -6.332 11.040 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.444 -6.423 9.305 1.00 0.00 H new ATOM 1068 N ALA A 71 -18.650 -11.026 10.762 1.00 0.00 N ATOM 1069 CA ALA A 71 -18.718 -12.468 10.563 1.00 0.00 C ATOM 1070 C ALA A 71 -18.435 -12.836 9.111 1.00 0.00 C ATOM 1071 O ALA A 71 -17.355 -13.329 8.784 1.00 0.00 O ATOM 1072 CB ALA A 71 -20.081 -12.996 10.988 1.00 0.00 C ATOM 0 H ALA A 71 -19.395 -10.645 11.345 1.00 0.00 H new ATOM 0 HA ALA A 71 -17.951 -12.932 11.184 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.118 -14.074 10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -20.244 -12.774 12.043 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.858 -12.518 10.392 1.00 0.00 H new ATOM 1078 N ASP A 72 -19.412 -12.597 8.243 1.00 0.00 N ATOM 1079 CA ASP A 72 -19.268 -12.904 6.824 1.00 0.00 C ATOM 1080 C ASP A 72 -17.942 -12.375 6.286 1.00 0.00 C ATOM 1081 O ASP A 72 -17.006 -13.139 6.053 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.430 -12.305 6.031 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.769 -12.889 6.436 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -22.520 -12.205 7.163 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -22.068 -14.030 6.027 1.00 0.00 O ATOM 0 H ASP A 72 -20.313 -12.191 8.497 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.280 -13.988 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.448 -11.225 6.178 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.268 -12.479 4.967 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.870 -11.062 6.092 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.655 -10.454 5.580 1.00 0.00 C ATOM 1093 C GLY A 73 -16.869 -9.022 5.130 1.00 0.00 C ATOM 1094 O GLY A 73 -16.206 -8.547 4.208 1.00 0.00 O ATOM 0 H GLY A 73 -18.630 -10.409 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.887 -10.478 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.283 -11.043 4.742 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.798 -8.331 5.781 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.099 -6.944 5.443 1.00 0.00 C ATOM 1100 C LYS A 74 -17.095 -5.996 6.090 1.00 0.00 C ATOM 1101 O LYS A 74 -16.762 -6.137 7.268 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.518 -6.585 5.891 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.597 -7.409 5.211 1.00 0.00 C ATOM 1104 CD LYS A 74 -20.741 -8.779 5.854 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.102 -9.390 5.563 1.00 0.00 C ATOM 1106 NZ LYS A 74 -22.184 -9.925 4.175 1.00 0.00 N ATOM 0 H LYS A 74 -18.356 -8.709 6.547 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.028 -6.836 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.595 -6.721 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.698 -5.529 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -21.548 -6.879 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.356 -7.525 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.957 -9.440 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.602 -8.693 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.299 -10.192 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.877 -8.637 5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.127 -10.333 4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.021 -9.155 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.461 -10.661 4.044 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.617 -5.028 5.315 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.653 -4.055 5.814 1.00 0.00 C ATOM 1122 C VAL A 75 -16.305 -2.694 6.024 1.00 0.00 C ATOM 1123 O VAL A 75 -17.052 -2.211 5.172 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.464 -3.898 4.848 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.637 -5.173 4.807 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -14.953 -3.525 3.456 1.00 0.00 C ATOM 0 H VAL A 75 -16.882 -4.897 4.339 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.289 -4.432 6.770 1.00 0.00 H new ATOM 0 HB VAL A 75 -13.827 -3.092 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.802 -5.043 4.119 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.255 -5.391 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.260 -6.000 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.099 -3.418 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.613 -4.307 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.498 -2.582 3.502 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.019 -2.078 7.166 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.580 -0.771 7.491 1.00 0.00 C ATOM 1138 C TYR A 76 -15.805 -0.113 8.628 1.00 0.00 C ATOM 1139 O TYR A 76 -15.643 -0.694 9.702 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.055 -0.907 7.875 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.268 -1.404 9.287 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -18.033 -2.734 9.618 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.708 -0.549 10.287 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -18.227 -3.194 10.906 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.905 -1.000 11.579 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.663 -2.323 11.883 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.859 -2.776 13.167 1.00 0.00 O ATOM 0 H TYR A 76 -15.402 -2.462 7.882 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.499 -0.139 6.607 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.542 0.061 7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.541 -1.592 7.180 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.693 -3.419 8.855 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.900 0.487 10.052 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -18.038 -4.230 11.147 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -19.246 -0.320 12.346 1.00 0.00 H new ATOM 0 HH TYR A 76 -19.166 -2.036 13.732 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.327 1.103 8.385 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.570 1.842 9.388 1.00 0.00 C ATOM 1159 C VAL A 77 -15.413 2.954 10.003 1.00 0.00 C ATOM 1160 O VAL A 77 -15.238 4.131 9.684 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.291 2.455 8.788 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.403 1.369 8.202 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -13.643 3.493 7.732 1.00 0.00 C ATOM 0 H VAL A 77 -15.451 1.598 7.502 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.292 1.128 10.164 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.739 2.953 9.585 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.504 1.821 7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.123 0.665 8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.944 0.841 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.728 3.916 7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.217 3.021 6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.237 4.287 8.186 1.00 0.00 H new ATOM 1173 N THR A 78 -16.329 2.575 10.888 1.00 0.00 N ATOM 1174 CA THR A 78 -17.201 3.538 11.548 1.00 0.00 C ATOM 1175 C THR A 78 -18.074 2.861 12.596 1.00 0.00 C ATOM 1176 O THR A 78 -18.140 1.635 12.665 1.00 0.00 O ATOM 1177 CB THR A 78 -18.104 4.265 10.533 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.152 4.960 11.220 1.00 0.00 O ATOM 1179 CG2 THR A 78 -18.707 3.281 9.542 1.00 0.00 C ATOM 0 H THR A 78 -16.486 1.606 11.165 1.00 0.00 H new ATOM 0 HA THR A 78 -16.555 4.268 12.036 1.00 0.00 H new ATOM 0 HB THR A 78 -17.492 4.981 9.983 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.721 5.421 10.568 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.340 3.818 8.836 1.00 0.00 H new ATOM 0 HG22 THR A 78 -17.908 2.774 9.000 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.305 2.545 10.079 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.747 3.669 13.410 1.00 0.00 N ATOM 1188 CA ALA A 79 -19.622 3.148 14.454 1.00 0.00 C ATOM 1189 C ALA A 79 -21.056 3.623 14.258 1.00 0.00 C ATOM 1190 O ALA A 79 -21.844 3.651 15.202 1.00 0.00 O ATOM 1191 CB ALA A 79 -19.109 3.560 15.825 1.00 0.00 C ATOM 0 H ALA A 79 -18.703 4.687 13.366 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.617 2.060 14.388 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.771 3.165 16.595 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -18.104 3.164 15.972 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.083 4.648 15.892 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.388 3.997 13.026 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.729 4.473 12.708 1.00 0.00 C ATOM 1199 C GLU A 80 -23.434 3.516 11.750 1.00 0.00 C ATOM 1200 O GLU A 80 -24.650 3.340 11.815 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.664 5.873 12.092 1.00 0.00 C ATOM 1202 CG GLU A 80 -22.173 6.940 13.056 1.00 0.00 C ATOM 1203 CD GLU A 80 -22.564 8.341 12.623 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -21.684 9.072 12.124 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -23.747 8.704 12.785 1.00 0.00 O ATOM 0 H GLU A 80 -20.747 3.979 12.233 1.00 0.00 H new ATOM 0 HA GLU A 80 -23.300 4.517 13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.005 5.849 11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.655 6.149 11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.580 6.743 14.048 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.088 6.879 13.138 1.00 0.00 H new ATOM 1213 N SER A 81 -22.660 2.900 10.863 1.00 0.00 N ATOM 1214 CA SER A 81 -23.209 1.966 9.887 1.00 0.00 C ATOM 1215 C SER A 81 -22.122 1.039 9.351 1.00 0.00 C ATOM 1216 O SER A 81 -20.940 1.213 9.649 1.00 0.00 O ATOM 1217 CB SER A 81 -23.863 2.725 8.732 1.00 0.00 C ATOM 1218 OG SER A 81 -24.888 1.953 8.129 1.00 0.00 O ATOM 0 H SER A 81 -21.650 3.031 10.800 1.00 0.00 H new ATOM 0 HA SER A 81 -23.965 1.361 10.387 1.00 0.00 H new ATOM 0 HB2 SER A 81 -24.278 3.664 9.099 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.109 2.980 7.987 1.00 0.00 H new ATOM 0 HG SER A 81 -25.291 2.461 7.395 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.531 0.055 8.557 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.593 -0.900 7.980 1.00 0.00 C ATOM 1226 C ARG A 82 -21.659 -0.872 6.456 1.00 0.00 C ATOM 1227 O ARG A 82 -22.494 -0.180 5.872 1.00 0.00 O ATOM 1228 CB ARG A 82 -21.891 -2.312 8.488 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.522 -2.525 9.948 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.983 -3.885 10.446 1.00 0.00 C ATOM 1231 NE ARG A 82 -21.749 -4.052 11.878 1.00 0.00 N ATOM 1232 CZ ARG A 82 -22.133 -5.120 12.567 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -22.768 -6.112 11.956 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -21.884 -5.199 13.868 1.00 0.00 N ATOM 0 H ARG A 82 -23.505 -0.102 8.299 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.587 -0.615 8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -22.953 -2.520 8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.347 -3.032 7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.442 -2.439 10.068 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -21.973 -1.741 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -23.046 -4.007 10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.458 -4.668 9.899 1.00 0.00 H new ATOM 0 HE ARG A 82 -21.263 -3.306 12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.961 -6.054 10.956 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -23.063 -6.932 12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.397 -4.438 14.341 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.180 -6.021 14.395 1.00 0.00 H new ATOM 1248 N PHE A 83 -20.774 -1.631 5.816 1.00 0.00 N ATOM 1249 CA PHE A 83 -20.731 -1.692 4.360 1.00 0.00 C ATOM 1250 C PHE A 83 -20.482 -3.119 3.882 1.00 0.00 C ATOM 1251 O PHE A 83 -19.563 -3.791 4.350 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.637 -0.764 3.822 1.00 0.00 C ATOM 1253 CG PHE A 83 -19.790 0.662 4.265 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -20.853 1.430 3.820 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -18.869 1.235 5.128 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -20.996 2.743 4.225 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.008 2.548 5.538 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.071 3.302 5.084 1.00 0.00 C ATOM 0 H PHE A 83 -20.078 -2.212 6.283 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.698 -1.364 3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.665 -1.135 4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -19.644 -0.800 2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.579 0.997 3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.034 0.650 5.484 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.830 3.331 3.870 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.286 2.983 6.213 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.179 4.329 5.401 1.00 0.00 H new ATOM 1268 N SER A 84 -21.311 -3.578 2.949 1.00 0.00 N ATOM 1269 CA SER A 84 -21.185 -4.927 2.412 1.00 0.00 C ATOM 1270 C SER A 84 -19.768 -5.181 1.908 1.00 0.00 C ATOM 1271 O SER A 84 -19.115 -6.145 2.313 1.00 0.00 O ATOM 1272 CB SER A 84 -22.188 -5.142 1.276 1.00 0.00 C ATOM 1273 OG SER A 84 -23.516 -4.926 1.721 1.00 0.00 O ATOM 0 H SER A 84 -22.077 -3.035 2.550 1.00 0.00 H new ATOM 0 HA SER A 84 -21.399 -5.632 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.962 -4.463 0.454 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.091 -6.156 0.888 1.00 0.00 H new ATOM 0 HG SER A 84 -24.138 -5.068 0.977 1.00 0.00 H new ATOM 1279 N THR A 85 -19.296 -4.310 1.021 1.00 0.00 N ATOM 1280 CA THR A 85 -17.957 -4.439 0.461 1.00 0.00 C ATOM 1281 C THR A 85 -17.156 -3.156 0.647 1.00 0.00 C ATOM 1282 O THR A 85 -17.694 -2.134 1.078 1.00 0.00 O ATOM 1283 CB THR A 85 -18.008 -4.787 -1.040 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.663 -3.739 -1.763 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.737 -6.101 -1.267 1.00 0.00 C ATOM 0 H THR A 85 -19.822 -3.507 0.675 1.00 0.00 H new ATOM 0 HA THR A 85 -17.466 -5.250 0.999 1.00 0.00 H new ATOM 0 HB THR A 85 -16.985 -4.892 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.690 -3.966 -2.716 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.760 -6.325 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.218 -6.901 -0.739 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.757 -6.021 -0.891 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.869 -3.214 0.323 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.994 -2.055 0.454 1.00 0.00 C ATOM 1295 C LEU A 86 -15.422 -0.938 -0.494 1.00 0.00 C ATOM 1296 O LEU A 86 -15.381 0.240 -0.140 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.544 -2.451 0.172 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.483 -1.408 0.521 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.676 -0.904 1.943 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -11.087 -1.987 0.345 1.00 0.00 C ATOM 0 H LEU A 86 -15.408 -4.052 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 86 -15.071 -1.687 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.323 -3.364 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.454 -2.691 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.594 -0.564 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.911 -0.162 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.662 -0.450 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.593 -1.739 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.345 -1.230 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.965 -2.849 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.950 -2.298 -0.691 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.835 -1.318 -1.699 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.274 -0.350 -2.696 1.00 0.00 C ATOM 1314 C ALA A 87 -17.342 0.578 -2.126 1.00 0.00 C ATOM 1315 O ALA A 87 -17.369 1.769 -2.434 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.800 -1.066 -3.930 1.00 0.00 C ATOM 0 H ALA A 87 -15.875 -2.289 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.415 0.258 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -17.125 -0.331 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -16.010 -1.683 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.644 -1.698 -3.652 1.00 0.00 H new ATOM 1322 N GLU A 88 -18.219 0.025 -1.294 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.288 0.804 -0.683 1.00 0.00 C ATOM 1324 C GLU A 88 -18.768 1.601 0.508 1.00 0.00 C ATOM 1325 O GLU A 88 -19.370 2.597 0.916 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.429 -0.115 -0.239 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.918 -1.051 -1.331 1.00 0.00 C ATOM 1328 CD GLU A 88 -22.305 -1.599 -1.051 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -23.027 -1.905 -2.023 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.666 -1.722 0.138 1.00 0.00 O ATOM 0 H GLU A 88 -18.210 -0.960 -1.028 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.665 1.504 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.096 -0.707 0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.264 0.496 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.926 -0.520 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -20.218 -1.880 -1.435 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.648 1.157 1.066 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.045 1.828 2.213 1.00 0.00 C ATOM 1340 C LEU A 89 -16.413 3.153 1.799 1.00 0.00 C ATOM 1341 O LEU A 89 -16.522 4.154 2.506 1.00 0.00 O ATOM 1342 CB LEU A 89 -15.991 0.927 2.861 1.00 0.00 C ATOM 1343 CG LEU A 89 -14.994 1.621 3.789 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.420 0.631 4.790 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -13.880 2.274 2.984 1.00 0.00 C ATOM 0 H LEU A 89 -17.138 0.335 0.743 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.833 2.033 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.505 0.151 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.433 0.427 2.069 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.521 2.400 4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.712 1.142 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.227 0.210 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.908 -0.170 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.180 2.763 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.355 1.513 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.306 3.014 2.307 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.752 3.152 0.645 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.105 4.354 0.135 1.00 0.00 C ATOM 1359 C VAL A 90 -16.054 5.156 -0.750 1.00 0.00 C ATOM 1360 O VAL A 90 -16.021 6.387 -0.759 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.838 4.010 -0.671 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.200 5.273 -1.228 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.850 3.242 0.194 1.00 0.00 C ATOM 0 H VAL A 90 -15.651 2.332 0.047 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.825 4.954 1.001 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.123 3.375 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.307 5.010 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.908 5.780 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.927 5.935 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.961 3.007 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.569 3.851 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.312 2.317 0.540 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.898 4.449 -1.494 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.858 5.095 -2.383 1.00 0.00 C ATOM 1375 C HIS A 91 -18.954 5.792 -1.583 1.00 0.00 C ATOM 1376 O HIS A 91 -19.439 6.856 -1.971 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.479 4.067 -3.331 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.308 4.680 -4.418 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -19.057 4.481 -5.758 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.391 5.490 -4.355 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -19.948 5.142 -6.475 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -20.770 5.763 -5.646 1.00 0.00 N ATOM 0 H HIS A 91 -16.937 3.430 -1.499 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.326 5.845 -2.969 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.684 3.474 -3.782 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.100 3.381 -2.754 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -20.868 5.854 -3.457 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -19.997 5.170 -7.554 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -21.558 6.350 -5.921 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.342 5.186 -0.466 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.381 5.750 0.390 1.00 0.00 C ATOM 1393 C HIS A 92 -19.827 6.889 1.239 1.00 0.00 C ATOM 1394 O HIS A 92 -20.484 7.913 1.428 1.00 0.00 O ATOM 1395 CB HIS A 92 -20.973 4.666 1.291 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.226 5.091 1.995 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.467 5.080 1.394 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.424 5.538 3.257 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.375 5.504 2.255 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -23.767 5.788 3.394 1.00 0.00 N ATOM 0 H HIS A 92 -18.953 4.304 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.168 6.149 -0.250 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.186 3.782 0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.229 4.376 2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.667 5.673 4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.433 5.602 2.061 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -24.222 6.136 4.238 1.00 0.00 H new ATOM 1409 N HIS A 93 -18.614 6.704 1.750 1.00 0.00 N ATOM 1410 CA HIS A 93 -17.972 7.717 2.581 1.00 0.00 C ATOM 1411 C HIS A 93 -17.625 8.954 1.759 1.00 0.00 C ATOM 1412 O HIS A 93 -17.536 10.060 2.291 1.00 0.00 O ATOM 1413 CB HIS A 93 -16.708 7.150 3.228 1.00 0.00 C ATOM 1414 CG HIS A 93 -16.980 6.305 4.436 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -18.106 6.452 5.219 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.264 5.301 4.994 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -18.071 5.576 6.205 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -16.964 4.864 6.092 1.00 0.00 N ATOM 0 H HIS A 93 -18.056 5.863 1.604 1.00 0.00 H new ATOM 0 HA HIS A 93 -18.673 8.007 3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.169 6.554 2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.054 7.974 3.511 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.319 4.915 4.642 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.820 5.461 6.974 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -16.676 4.112 6.718 1.00 0.00 H new ATOM 1427 N SER A 94 -17.429 8.759 0.459 1.00 0.00 N ATOM 1428 CA SER A 94 -17.088 9.857 -0.437 1.00 0.00 C ATOM 1429 C SER A 94 -18.180 10.922 -0.431 1.00 0.00 C ATOM 1430 O SER A 94 -17.926 12.091 -0.722 1.00 0.00 O ATOM 1431 CB SER A 94 -16.875 9.338 -1.859 1.00 0.00 C ATOM 1432 OG SER A 94 -18.089 8.865 -2.416 1.00 0.00 O ATOM 0 H SER A 94 -17.501 7.850 0.003 1.00 0.00 H new ATOM 0 HA SER A 94 -16.162 10.308 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.471 10.135 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.138 8.535 -1.850 1.00 0.00 H new ATOM 0 HG SER A 94 -18.516 8.244 -1.790 1.00 0.00 H new ATOM 1438 N THR A 95 -19.399 10.510 -0.097 1.00 0.00 N ATOM 1439 CA THR A 95 -20.532 11.426 -0.053 1.00 0.00 C ATOM 1440 C THR A 95 -20.621 12.125 1.299 1.00 0.00 C ATOM 1441 O THR A 95 -20.724 13.350 1.369 1.00 0.00 O ATOM 1442 CB THR A 95 -21.859 10.692 -0.328 1.00 0.00 C ATOM 1443 OG1 THR A 95 -21.783 9.995 -1.576 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.022 11.673 -0.360 1.00 0.00 C ATOM 0 H THR A 95 -19.627 9.546 0.147 1.00 0.00 H new ATOM 0 HA THR A 95 -20.369 12.169 -0.833 1.00 0.00 H new ATOM 0 HB THR A 95 -22.028 9.977 0.477 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.629 9.530 -1.743 1.00 0.00 H new ATOM 0 HG21 THR A 95 -23.948 11.133 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.095 12.182 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.857 12.407 -1.148 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.583 11.339 2.370 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.658 11.884 3.720 1.00 0.00 C ATOM 1454 C VAL A 96 -19.605 11.254 4.627 1.00 0.00 C ATOM 1455 O VAL A 96 -19.283 10.074 4.493 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.051 11.662 4.339 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.351 10.175 4.457 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.147 12.344 5.694 1.00 0.00 C ATOM 0 H VAL A 96 -20.501 10.323 2.329 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.471 12.955 3.639 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.797 12.108 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.339 10.037 4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.327 9.719 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.602 9.702 5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.138 12.177 6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.393 11.931 6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -21.979 13.414 5.575 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.074 12.049 5.548 1.00 0.00 N ATOM 1469 CA ALA A 97 -18.060 11.569 6.479 1.00 0.00 C ATOM 1470 C ALA A 97 -18.623 10.489 7.395 1.00 0.00 C ATOM 1471 O ALA A 97 -18.094 9.380 7.463 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.506 12.725 7.299 1.00 0.00 C ATOM 0 H ALA A 97 -19.329 13.029 5.670 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.249 11.129 5.899 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.750 12.352 7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.057 13.461 6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.314 13.191 7.863 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.700 10.821 8.101 1.00 0.00 N ATOM 1479 CA ASP A 98 -20.335 9.879 9.015 1.00 0.00 C ATOM 1480 C ASP A 98 -19.366 9.443 10.109 1.00 0.00 C ATOM 1481 O ASP A 98 -19.278 8.261 10.441 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.842 8.656 8.249 1.00 0.00 C ATOM 1483 CG ASP A 98 -22.021 7.991 8.934 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -21.923 6.786 9.246 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -23.039 8.677 9.157 1.00 0.00 O ATOM 0 H ASP A 98 -20.151 11.735 8.057 1.00 0.00 H new ATOM 0 HA ASP A 98 -21.181 10.382 9.484 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.133 8.956 7.242 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -20.032 7.934 8.145 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.637 10.407 10.665 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.681 10.102 11.714 1.00 0.00 C ATOM 1493 C GLY A 99 -16.246 10.258 11.254 1.00 0.00 C ATOM 1494 O GLY A 99 -15.359 10.561 12.052 1.00 0.00 O ATOM 0 H GLY A 99 -18.692 11.393 10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.859 10.758 12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.839 9.081 12.060 1.00 0.00 H new ATOM 1498 N LEU A 100 -16.013 10.048 9.963 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.675 10.164 9.396 1.00 0.00 C ATOM 1500 C LEU A 100 -14.157 11.594 9.512 1.00 0.00 C ATOM 1501 O LEU A 100 -14.936 12.538 9.649 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.680 9.729 7.931 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.593 8.224 7.675 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.527 7.938 6.184 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.386 7.631 8.388 1.00 0.00 C ATOM 0 H LEU A 100 -16.735 9.796 9.288 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.011 9.509 9.960 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.591 10.104 7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.843 10.212 7.427 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.493 7.755 8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.465 6.862 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -15.422 8.327 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.646 8.420 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.340 6.559 8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.476 8.106 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.476 7.803 9.461 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.837 11.747 9.455 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.215 13.061 9.550 1.00 0.00 C ATOM 1519 C VAL A 101 -12.795 14.021 8.516 1.00 0.00 C ATOM 1520 O VAL A 101 -12.974 15.208 8.784 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.690 12.976 9.359 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.354 12.327 8.024 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -10.062 14.359 9.460 1.00 0.00 C ATOM 0 H VAL A 101 -12.179 10.976 9.343 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.427 13.439 10.550 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.277 12.355 10.153 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.272 12.276 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.771 11.320 7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.779 12.920 7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.984 14.280 9.323 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.480 15.006 8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.272 14.783 10.442 1.00 0.00 H new ATOM 1533 N THR A 102 -13.086 13.495 7.329 1.00 0.00 N ATOM 1534 CA THR A 102 -13.644 14.304 6.252 1.00 0.00 C ATOM 1535 C THR A 102 -14.038 13.437 5.063 1.00 0.00 C ATOM 1536 O THR A 102 -13.430 12.397 4.808 1.00 0.00 O ATOM 1537 CB THR A 102 -12.646 15.378 5.781 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.316 16.345 4.964 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.503 14.749 4.999 1.00 0.00 C ATOM 0 H THR A 102 -12.944 12.514 7.090 1.00 0.00 H new ATOM 0 HA THR A 102 -14.532 14.794 6.652 1.00 0.00 H new ATOM 0 HB THR A 102 -12.234 15.871 6.662 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.675 17.025 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.811 15.527 4.677 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.977 14.036 5.634 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.901 14.233 4.125 1.00 0.00 H new ATOM 1547 N THR A 103 -15.063 13.871 4.333 1.00 0.00 N ATOM 1548 CA THR A 103 -15.539 13.134 3.170 1.00 0.00 C ATOM 1549 C THR A 103 -14.446 13.003 2.117 1.00 0.00 C ATOM 1550 O THR A 103 -13.535 13.829 2.045 1.00 0.00 O ATOM 1551 CB THR A 103 -16.767 13.817 2.537 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.583 15.237 2.519 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.034 13.473 3.306 1.00 0.00 C ATOM 0 H THR A 103 -15.578 14.729 4.528 1.00 0.00 H new ATOM 0 HA THR A 103 -15.824 12.141 3.519 1.00 0.00 H new ATOM 0 HB THR A 103 -16.872 13.452 1.515 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.367 15.663 2.114 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.887 13.966 2.841 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.187 12.394 3.292 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.937 13.812 4.337 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.540 11.957 1.300 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.558 11.719 0.249 1.00 0.00 C ATOM 1563 C LEU A 104 -13.965 12.413 -1.047 1.00 0.00 C ATOM 1564 O LEU A 104 -15.127 12.358 -1.453 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.396 10.217 0.006 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.417 9.330 1.252 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.652 7.877 0.870 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.117 9.475 2.032 1.00 0.00 C ATOM 0 H LEU A 104 -15.285 11.262 1.346 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.605 12.134 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.192 9.889 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.454 10.053 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.239 9.653 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.664 7.262 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.609 7.786 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.852 7.540 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.149 8.837 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.279 9.179 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.991 10.513 2.339 1.00 0.00 H new ATOM 1580 N HIS A 105 -13.003 13.064 -1.692 1.00 0.00 N ATOM 1581 CA HIS A 105 -13.261 13.768 -2.943 1.00 0.00 C ATOM 1582 C HIS A 105 -12.234 13.385 -4.004 1.00 0.00 C ATOM 1583 O HIS A 105 -12.580 12.830 -5.046 1.00 0.00 O ATOM 1584 CB HIS A 105 -13.240 15.280 -2.717 1.00 0.00 C ATOM 1585 CG HIS A 105 -12.257 15.716 -1.674 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -12.295 15.269 -0.370 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -11.203 16.561 -1.749 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -11.309 15.822 0.312 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -10.631 16.611 -0.502 1.00 0.00 N ATOM 0 H HIS A 105 -12.037 13.119 -1.369 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.249 13.476 -3.298 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -13.003 15.777 -3.658 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -14.237 15.609 -2.425 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -10.873 17.097 -2.627 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -11.093 15.657 1.357 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.815 17.167 -0.246 1.00 0.00 H new ATOM 1598 N TYR A 106 -10.969 13.689 -3.732 1.00 0.00 N ATOM 1599 CA TYR A 106 -9.892 13.379 -4.664 1.00 0.00 C ATOM 1600 C TYR A 106 -8.993 12.278 -4.111 1.00 0.00 C ATOM 1601 O TYR A 106 -8.116 12.515 -3.278 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.063 14.633 -4.952 1.00 0.00 C ATOM 1603 CG TYR A 106 -9.895 15.888 -5.096 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.205 15.828 -5.558 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -9.369 17.133 -4.775 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -11.967 16.971 -5.692 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.125 18.282 -4.907 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.424 18.196 -5.365 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.180 19.339 -5.498 1.00 0.00 O ATOM 0 H TYR A 106 -10.665 14.149 -2.874 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.340 13.025 -5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.342 14.775 -4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.492 14.479 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.634 14.871 -5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.353 17.204 -4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.983 16.906 -6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.702 19.243 -4.653 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.649 20.116 -5.225 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.214 11.042 -4.585 1.00 0.00 N ATOM 1620 CA PRO A 107 -8.434 9.878 -4.154 1.00 0.00 C ATOM 1621 C PRO A 107 -6.996 9.923 -4.663 1.00 0.00 C ATOM 1622 O PRO A 107 -6.593 10.876 -5.329 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.184 8.698 -4.776 1.00 0.00 C ATOM 1624 CG PRO A 107 -9.886 9.276 -5.956 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.242 10.687 -5.578 1.00 0.00 C ATOM 0 HA PRO A 107 -8.350 9.823 -3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -8.498 7.905 -5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -9.890 8.261 -4.070 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.246 9.258 -6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.779 8.700 -6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.215 11.353 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.246 10.750 -5.158 1.00 0.00 H new ATOM 1633 N ALA A 108 -6.229 8.886 -4.344 1.00 0.00 N ATOM 1634 CA ALA A 108 -4.837 8.805 -4.772 1.00 0.00 C ATOM 1635 C ALA A 108 -4.737 8.609 -6.280 1.00 0.00 C ATOM 1636 O ALA A 108 -5.547 7.915 -6.895 1.00 0.00 O ATOM 1637 CB ALA A 108 -4.125 7.678 -4.042 1.00 0.00 C ATOM 0 H ALA A 108 -6.547 8.090 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.351 9.748 -4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.087 7.630 -4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.157 7.863 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.620 6.732 -4.262 1.00 0.00 H new