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+ -167:sc= 0 (180deg=-0.0891) USER MOD Single : A 16 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-3.5!) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0719 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.014) 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 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0709 X(o=-0.071,f=-0.071) USER MOD Single : A 39 SER OG : rot 99:sc= 0.432 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= -0.37 K(o=-0.37,f=-1.6) USER MOD Single : A 53 SER OG : rot 180:sc= 0 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= -0.929 K(o=-0.93,f=-0.2) USER MOD Single : A 65 TYR OH : rot -40:sc= -3.99! USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 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 129:sc= 0.559 USER MOD Single : A 81 SER OG : rot -109:sc= 0.187 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0331 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-0.92) USER MOD Single : A 92 HIS : no HD1:sc= -0.375 X(o=-0.38,f=-0.37) USER MOD Single : A 93 HIS : no HD1:sc= -5.98! K(o=-6!,f=-2.9) USER MOD Single : A 94 SER OG : rot 180:sc= 0 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 USER MOD Single : A 105 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -8.192 -2.261 -8.875 1.00 0.00 N ATOM 171 CA LYS A 15 -8.833 -1.682 -10.049 1.00 0.00 C ATOM 172 C LYS A 15 -9.072 -0.188 -9.858 1.00 0.00 C ATOM 173 O LYS A 15 -8.900 0.602 -10.787 1.00 0.00 O ATOM 174 CB LYS A 15 -10.161 -2.389 -10.331 1.00 0.00 C ATOM 175 CG LYS A 15 -10.027 -3.591 -11.251 1.00 0.00 C ATOM 176 CD LYS A 15 -11.288 -3.811 -12.069 1.00 0.00 C ATOM 177 CE LYS A 15 -11.022 -4.700 -13.275 1.00 0.00 C ATOM 178 NZ LYS A 15 -10.277 -3.977 -14.341 1.00 0.00 N ATOM 0 HA LYS A 15 -8.166 -1.819 -10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.599 -2.712 -9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.855 -1.676 -10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.179 -3.445 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.816 -4.482 -10.659 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.055 -4.266 -11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.679 -2.850 -12.403 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.452 -5.575 -12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.969 -5.063 -13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.306 -4.531 -15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.716 -3.048 -14.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.288 -3.847 -14.046 1.00 0.00 H new ATOM 192 N HIS A 16 -9.466 0.194 -8.648 1.00 0.00 N ATOM 193 CA HIS A 16 -9.726 1.594 -8.334 1.00 0.00 C ATOM 194 C HIS A 16 -8.427 2.395 -8.311 1.00 0.00 C ATOM 195 O HIS A 16 -7.344 1.836 -8.131 1.00 0.00 O ATOM 196 CB HIS A 16 -10.437 1.714 -6.986 1.00 0.00 C ATOM 197 CG HIS A 16 -11.512 0.691 -6.784 1.00 0.00 C ATOM 198 ND1 HIS A 16 -11.331 -0.454 -6.038 1.00 0.00 N ATOM 199 CD2 HIS A 16 -12.788 0.647 -7.233 1.00 0.00 C ATOM 200 CE1 HIS A 16 -12.447 -1.159 -6.039 1.00 0.00 C ATOM 201 NE2 HIS A 16 -13.347 -0.513 -6.758 1.00 0.00 N ATOM 0 H HIS A 16 -9.612 -0.447 -7.868 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.371 2.002 -9.113 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.702 1.619 -6.187 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.873 2.709 -6.902 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.276 1.387 -7.850 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.598 -2.103 -5.537 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.302 -0.825 -6.932 1.00 0.00 H new ATOM 210 N SER A 17 -8.543 3.706 -8.492 1.00 0.00 N ATOM 211 CA SER A 17 -7.377 4.584 -8.496 1.00 0.00 C ATOM 212 C SER A 17 -6.854 4.796 -7.079 1.00 0.00 C ATOM 213 O SER A 17 -5.646 4.769 -6.842 1.00 0.00 O ATOM 214 CB SER A 17 -7.729 5.931 -9.130 1.00 0.00 C ATOM 215 OG SER A 17 -8.582 6.685 -8.285 1.00 0.00 O ATOM 0 H SER A 17 -9.432 4.185 -8.638 1.00 0.00 H new ATOM 0 HA SER A 17 -6.594 4.107 -9.086 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.816 6.494 -9.326 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.216 5.768 -10.091 1.00 0.00 H new ATOM 0 HG SER A 17 -8.791 7.542 -8.712 1.00 0.00 H new ATOM 221 N TRP A 18 -7.771 5.009 -6.142 1.00 0.00 N ATOM 222 CA TRP A 18 -7.402 5.226 -4.749 1.00 0.00 C ATOM 223 C TRP A 18 -6.793 3.966 -4.143 1.00 0.00 C ATOM 224 O TRP A 18 -6.020 4.037 -3.187 1.00 0.00 O ATOM 225 CB TRP A 18 -8.625 5.659 -3.937 1.00 0.00 C ATOM 226 CG TRP A 18 -9.881 4.940 -4.330 1.00 0.00 C ATOM 227 CD1 TRP A 18 -10.841 5.383 -5.194 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.314 3.656 -3.870 1.00 0.00 C ATOM 229 NE1 TRP A 18 -11.844 4.450 -5.301 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.545 3.382 -4.498 1.00 0.00 C ATOM 231 CE3 TRP A 18 -9.782 2.710 -2.989 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.248 2.201 -4.272 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.482 1.540 -2.766 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.703 1.293 -3.406 1.00 0.00 C ATOM 0 H TRP A 18 -8.775 5.036 -6.322 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.654 6.019 -4.717 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.430 5.485 -2.879 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.774 6.732 -4.061 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -10.816 6.328 -5.716 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.676 4.539 -5.884 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.841 2.891 -2.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.190 2.009 -4.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.081 0.803 -2.086 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.225 0.367 -3.212 1.00 0.00 H new ATOM 245 N TYR A 19 -7.148 2.815 -4.704 1.00 0.00 N ATOM 246 CA TYR A 19 -6.638 1.539 -4.216 1.00 0.00 C ATOM 247 C TYR A 19 -5.211 1.303 -4.701 1.00 0.00 C ATOM 248 O TYR A 19 -4.991 0.871 -5.834 1.00 0.00 O ATOM 249 CB TYR A 19 -7.542 0.396 -4.678 1.00 0.00 C ATOM 250 CG TYR A 19 -7.284 -0.909 -3.957 1.00 0.00 C ATOM 251 CD1 TYR A 19 -6.172 -1.686 -4.263 1.00 0.00 C ATOM 252 CD2 TYR A 19 -8.151 -1.365 -2.973 1.00 0.00 C ATOM 253 CE1 TYR A 19 -5.933 -2.879 -3.609 1.00 0.00 C ATOM 254 CE2 TYR A 19 -7.919 -2.556 -2.311 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.809 -3.309 -2.633 1.00 0.00 C ATOM 256 OH TYR A 19 -6.574 -4.496 -1.978 1.00 0.00 O ATOM 0 H TYR A 19 -7.786 2.740 -5.496 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.632 1.570 -3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.583 0.684 -4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.403 0.244 -5.748 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.484 -1.351 -5.025 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.022 -0.779 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.066 -3.472 -3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.602 -2.895 -1.546 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.284 -4.653 -1.321 1.00 0.00 H new ATOM 266 N HIS A 20 -4.244 1.585 -3.834 1.00 0.00 N ATOM 267 CA HIS A 20 -2.836 1.402 -4.172 1.00 0.00 C ATOM 268 C HIS A 20 -2.388 -0.025 -3.872 1.00 0.00 C ATOM 269 O HIS A 20 -1.857 -0.715 -4.743 1.00 0.00 O ATOM 270 CB HIS A 20 -1.970 2.395 -3.397 1.00 0.00 C ATOM 271 CG HIS A 20 -1.782 3.702 -4.102 1.00 0.00 C ATOM 272 ND1 HIS A 20 -0.558 4.140 -4.565 1.00 0.00 N ATOM 273 CD2 HIS A 20 -2.672 4.671 -4.425 1.00 0.00 C ATOM 274 CE1 HIS A 20 -0.703 5.320 -5.140 1.00 0.00 C ATOM 275 NE2 HIS A 20 -1.976 5.665 -5.068 1.00 0.00 N ATOM 0 H HIS A 20 -4.409 1.941 -2.892 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.717 1.585 -5.240 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.425 2.579 -2.424 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.994 1.947 -3.213 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.732 4.663 -4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.085 5.904 -5.592 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.377 6.530 -5.431 1.00 0.00 H new ATOM 284 N GLY A 21 -2.601 -0.460 -2.634 1.00 0.00 N ATOM 285 CA GLY A 21 -2.211 -1.802 -2.243 1.00 0.00 C ATOM 286 C GLY A 21 -0.959 -1.815 -1.389 1.00 0.00 C ATOM 287 O GLY A 21 -0.931 -1.279 -0.281 1.00 0.00 O ATOM 0 H GLY A 21 -3.036 0.092 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.028 -2.269 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.044 -2.404 -3.136 1.00 0.00 H new ATOM 291 N PRO A 22 0.108 -2.444 -1.906 1.00 0.00 N ATOM 292 CA PRO A 22 1.389 -2.541 -1.200 1.00 0.00 C ATOM 293 C PRO A 22 2.103 -1.197 -1.107 1.00 0.00 C ATOM 294 O PRO A 22 2.880 -0.834 -1.987 1.00 0.00 O ATOM 295 CB PRO A 22 2.195 -3.517 -2.061 1.00 0.00 C ATOM 296 CG PRO A 22 1.607 -3.394 -3.425 1.00 0.00 C ATOM 297 CD PRO A 22 0.145 -3.106 -3.221 1.00 0.00 C ATOM 0 HA PRO A 22 1.262 -2.867 -0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.255 -3.262 -2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.113 -4.537 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.088 -2.593 -3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.748 -4.312 -3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.251 -2.462 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.449 -4.020 -3.228 1.00 0.00 H new ATOM 305 N VAL A 23 1.833 -0.462 -0.032 1.00 0.00 N ATOM 306 CA VAL A 23 2.452 0.840 0.178 1.00 0.00 C ATOM 307 C VAL A 23 3.042 0.950 1.579 1.00 0.00 C ATOM 308 O VAL A 23 2.482 0.429 2.543 1.00 0.00 O ATOM 309 CB VAL A 23 1.438 1.982 -0.029 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.123 3.334 0.104 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.759 1.851 -1.385 1.00 0.00 C ATOM 0 H VAL A 23 1.190 -0.747 0.706 1.00 0.00 H new ATOM 0 HA VAL A 23 3.251 0.932 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 23 0.673 1.911 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.392 4.129 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.559 3.424 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.909 3.419 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.046 2.665 -1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.510 1.897 -2.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.234 0.897 -1.438 1.00 0.00 H new ATOM 321 N SER A 24 4.178 1.632 1.685 1.00 0.00 N ATOM 322 CA SER A 24 4.848 1.806 2.968 1.00 0.00 C ATOM 323 C SER A 24 4.430 3.119 3.625 1.00 0.00 C ATOM 324 O SER A 24 4.327 4.151 2.962 1.00 0.00 O ATOM 325 CB SER A 24 6.367 1.777 2.782 1.00 0.00 C ATOM 326 OG SER A 24 6.819 0.467 2.483 1.00 0.00 O ATOM 0 H SER A 24 4.653 2.073 0.898 1.00 0.00 H new ATOM 0 HA SER A 24 4.553 0.983 3.619 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.651 2.456 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.855 2.135 3.689 1.00 0.00 H new ATOM 0 HG SER A 24 7.792 0.475 2.367 1.00 0.00 H new ATOM 332 N ARG A 25 4.191 3.069 4.931 1.00 0.00 N ATOM 333 CA ARG A 25 3.783 4.254 5.678 1.00 0.00 C ATOM 334 C ARG A 25 4.454 5.505 5.121 1.00 0.00 C ATOM 335 O ARG A 25 3.784 6.473 4.764 1.00 0.00 O ATOM 336 CB ARG A 25 4.128 4.092 7.159 1.00 0.00 C ATOM 337 CG ARG A 25 3.698 5.269 8.018 1.00 0.00 C ATOM 338 CD ARG A 25 3.522 4.864 9.472 1.00 0.00 C ATOM 339 NE ARG A 25 2.160 4.416 9.755 1.00 0.00 N ATOM 340 CZ ARG A 25 1.755 4.010 10.953 1.00 0.00 C ATOM 341 NH1 ARG A 25 2.600 3.995 11.972 1.00 0.00 N ATOM 342 NH2 ARG A 25 0.499 3.619 11.130 1.00 0.00 N ATOM 0 H ARG A 25 4.272 2.222 5.494 1.00 0.00 H new ATOM 0 HA ARG A 25 2.704 4.366 5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.654 3.186 7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.205 3.954 7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.442 6.063 7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.761 5.676 7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.224 4.066 9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.767 5.709 10.116 1.00 0.00 H new ATOM 0 HE ARG A 25 1.484 4.415 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.565 4.296 11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.286 3.683 12.891 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.154 3.631 10.346 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.187 3.307 12.050 1.00 0.00 H new ATOM 356 N SER A 26 5.781 5.479 5.053 1.00 0.00 N ATOM 357 CA SER A 26 6.543 6.612 4.544 1.00 0.00 C ATOM 358 C SER A 26 6.042 7.030 3.165 1.00 0.00 C ATOM 359 O SER A 26 5.695 8.190 2.942 1.00 0.00 O ATOM 360 CB SER A 26 8.031 6.264 4.473 1.00 0.00 C ATOM 361 OG SER A 26 8.496 5.760 5.713 1.00 0.00 O ATOM 0 H SER A 26 6.351 4.685 5.344 1.00 0.00 H new ATOM 0 HA SER A 26 6.404 7.447 5.231 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.198 5.524 3.690 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.603 7.151 4.200 1.00 0.00 H new ATOM 0 HG SER A 26 9.449 5.543 5.641 1.00 0.00 H new ATOM 367 N ALA A 27 6.005 6.074 2.241 1.00 0.00 N ATOM 368 CA ALA A 27 5.545 6.341 0.884 1.00 0.00 C ATOM 369 C ALA A 27 4.186 7.033 0.892 1.00 0.00 C ATOM 370 O ALA A 27 3.959 7.983 0.143 1.00 0.00 O ATOM 371 CB ALA A 27 5.475 5.047 0.087 1.00 0.00 C ATOM 0 H ALA A 27 6.288 5.108 2.408 1.00 0.00 H new ATOM 0 HA ALA A 27 6.262 7.010 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.130 5.261 -0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.465 4.592 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.780 4.360 0.570 1.00 0.00 H new ATOM 377 N ALA A 28 3.286 6.551 1.743 1.00 0.00 N ATOM 378 CA ALA A 28 1.951 7.127 1.848 1.00 0.00 C ATOM 379 C ALA A 28 2.017 8.623 2.134 1.00 0.00 C ATOM 380 O ALA A 28 1.594 9.439 1.316 1.00 0.00 O ATOM 381 CB ALA A 28 1.155 6.415 2.933 1.00 0.00 C ATOM 0 H ALA A 28 3.457 5.764 2.369 1.00 0.00 H new ATOM 0 HA ALA A 28 1.447 6.990 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.160 6.854 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.068 5.357 2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.666 6.523 3.890 1.00 0.00 H new ATOM 387 N GLU A 29 2.551 8.975 3.299 1.00 0.00 N ATOM 388 CA GLU A 29 2.671 10.374 3.692 1.00 0.00 C ATOM 389 C GLU A 29 3.201 11.219 2.537 1.00 0.00 C ATOM 390 O GLU A 29 2.615 12.243 2.183 1.00 0.00 O ATOM 391 CB GLU A 29 3.595 10.509 4.904 1.00 0.00 C ATOM 392 CG GLU A 29 2.913 10.201 6.227 1.00 0.00 C ATOM 393 CD GLU A 29 3.871 10.244 7.400 1.00 0.00 C ATOM 394 OE1 GLU A 29 5.027 9.797 7.240 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.468 10.724 8.479 1.00 0.00 O ATOM 0 H GLU A 29 2.907 8.311 3.987 1.00 0.00 H new ATOM 0 HA GLU A 29 1.679 10.737 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.445 9.839 4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.991 11.524 4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.109 10.918 6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.454 9.214 6.174 1.00 0.00 H new ATOM 403 N TYR A 30 4.313 10.784 1.955 1.00 0.00 N ATOM 404 CA TYR A 30 4.924 11.502 0.844 1.00 0.00 C ATOM 405 C TYR A 30 3.920 11.715 -0.285 1.00 0.00 C ATOM 406 O TYR A 30 3.573 12.850 -0.615 1.00 0.00 O ATOM 407 CB TYR A 30 6.140 10.735 0.321 1.00 0.00 C ATOM 408 CG TYR A 30 6.444 11.001 -1.136 1.00 0.00 C ATOM 409 CD1 TYR A 30 6.851 12.260 -1.563 1.00 0.00 C ATOM 410 CD2 TYR A 30 6.325 9.995 -2.086 1.00 0.00 C ATOM 411 CE1 TYR A 30 7.130 12.508 -2.892 1.00 0.00 C ATOM 412 CE2 TYR A 30 6.603 10.233 -3.418 1.00 0.00 C ATOM 413 CZ TYR A 30 7.004 11.493 -3.816 1.00 0.00 C ATOM 414 OH TYR A 30 7.282 11.735 -5.142 1.00 0.00 O ATOM 0 H TYR A 30 4.809 9.938 2.234 1.00 0.00 H new ATOM 0 HA TYR A 30 5.246 12.477 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.011 11.001 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.972 9.667 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.951 13.058 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.010 9.009 -1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.445 13.492 -3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.507 9.439 -4.143 1.00 0.00 H new ATOM 0 HH TYR A 30 7.145 10.915 -5.660 1.00 0.00 H new ATOM 424 N LEU A 31 3.460 10.617 -0.873 1.00 0.00 N ATOM 425 CA LEU A 31 2.493 10.682 -1.964 1.00 0.00 C ATOM 426 C LEU A 31 1.502 11.820 -1.749 1.00 0.00 C ATOM 427 O LEU A 31 1.506 12.811 -2.482 1.00 0.00 O ATOM 428 CB LEU A 31 1.743 9.354 -2.089 1.00 0.00 C ATOM 429 CG LEU A 31 1.191 9.022 -3.475 1.00 0.00 C ATOM 430 CD1 LEU A 31 -0.078 9.814 -3.748 1.00 0.00 C ATOM 431 CD2 LEU A 31 2.236 9.299 -4.546 1.00 0.00 C ATOM 0 H LEU A 31 3.740 9.671 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 31 3.040 10.872 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.414 8.551 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.914 9.360 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 31 0.945 7.960 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.456 9.564 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.830 9.565 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.142 10.881 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.825 9.057 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.514 10.353 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.118 8.686 -4.361 1.00 0.00 H new ATOM 443 N LEU A 32 0.655 11.675 -0.736 1.00 0.00 N ATOM 444 CA LEU A 32 -0.342 12.693 -0.421 1.00 0.00 C ATOM 445 C LEU A 32 0.232 14.094 -0.603 1.00 0.00 C ATOM 446 O LEU A 32 -0.432 14.986 -1.128 1.00 0.00 O ATOM 447 CB LEU A 32 -0.843 12.517 1.014 1.00 0.00 C ATOM 448 CG LEU A 32 -1.954 11.487 1.216 1.00 0.00 C ATOM 449 CD1 LEU A 32 -2.081 11.119 2.685 1.00 0.00 C ATOM 450 CD2 LEU A 32 -3.277 12.019 0.683 1.00 0.00 C ATOM 0 H LEU A 32 0.638 10.863 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.178 12.572 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.003 12.236 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.200 13.482 1.374 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.694 10.587 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.877 10.385 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.140 10.697 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.317 12.011 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.057 11.273 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.542 12.934 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.181 12.232 -0.382 1.00 0.00 H new ATOM 462 N SER A 33 1.474 14.279 -0.166 1.00 0.00 N ATOM 463 CA SER A 33 2.139 15.572 -0.279 1.00 0.00 C ATOM 464 C SER A 33 2.009 16.127 -1.694 1.00 0.00 C ATOM 465 O SER A 33 1.455 17.208 -1.900 1.00 0.00 O ATOM 466 CB SER A 33 3.617 15.444 0.097 1.00 0.00 C ATOM 467 OG SER A 33 4.162 16.702 0.458 1.00 0.00 O ATOM 0 H SER A 33 2.040 13.550 0.269 1.00 0.00 H new ATOM 0 HA SER A 33 1.655 16.264 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.725 14.746 0.927 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.175 15.030 -0.743 1.00 0.00 H new ATOM 0 HG SER A 33 5.107 16.593 0.696 1.00 0.00 H new ATOM 473 N SER A 34 2.525 15.382 -2.665 1.00 0.00 N ATOM 474 CA SER A 34 2.472 15.800 -4.061 1.00 0.00 C ATOM 475 C SER A 34 1.090 16.345 -4.411 1.00 0.00 C ATOM 476 O SER A 34 0.968 17.394 -5.047 1.00 0.00 O ATOM 477 CB SER A 34 2.817 14.628 -4.981 1.00 0.00 C ATOM 478 OG SER A 34 4.068 14.060 -4.636 1.00 0.00 O ATOM 0 H SER A 34 2.985 14.485 -2.511 1.00 0.00 H new ATOM 0 HA SER A 34 3.206 16.593 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.038 13.868 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.842 14.969 -6.016 1.00 0.00 H new ATOM 0 HG SER A 34 4.265 13.312 -5.238 1.00 0.00 H new ATOM 484 N LEU A 35 0.055 15.628 -3.993 1.00 0.00 N ATOM 485 CA LEU A 35 -1.320 16.040 -4.261 1.00 0.00 C ATOM 486 C LEU A 35 -1.760 17.132 -3.292 1.00 0.00 C ATOM 487 O LEU A 35 -1.005 17.527 -2.402 1.00 0.00 O ATOM 488 CB LEU A 35 -2.261 14.839 -4.158 1.00 0.00 C ATOM 489 CG LEU A 35 -1.916 13.638 -5.039 1.00 0.00 C ATOM 490 CD1 LEU A 35 -2.472 12.358 -4.437 1.00 0.00 C ATOM 491 CD2 LEU A 35 -2.449 13.841 -6.450 1.00 0.00 C ATOM 0 H LEU A 35 0.140 14.758 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.363 16.441 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.283 14.508 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.269 15.170 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.831 13.550 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.217 11.514 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.043 12.205 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.556 12.436 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.194 12.977 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.532 13.956 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.003 14.737 -6.882 1.00 0.00 H new ATOM 503 N ILE A 36 -2.987 17.612 -3.467 1.00 0.00 N ATOM 504 CA ILE A 36 -3.529 18.655 -2.606 1.00 0.00 C ATOM 505 C ILE A 36 -3.877 18.103 -1.227 1.00 0.00 C ATOM 506 O ILE A 36 -3.920 16.889 -1.025 1.00 0.00 O ATOM 507 CB ILE A 36 -4.787 19.296 -3.221 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.933 18.284 -3.264 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.484 19.821 -4.616 1.00 0.00 C ATOM 510 CD1 ILE A 36 -7.276 18.906 -3.574 1.00 0.00 C ATOM 0 H ILE A 36 -3.624 17.295 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.755 19.416 -2.507 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.093 20.135 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.710 17.527 -4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.992 17.772 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.382 20.271 -5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.695 20.571 -4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.158 18.998 -5.252 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.042 18.130 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.521 19.643 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.235 19.394 -4.548 1.00 0.00 H new ATOM 522 N ASN A 37 -4.123 19.003 -0.280 1.00 0.00 N ATOM 523 CA ASN A 37 -4.468 18.607 1.080 1.00 0.00 C ATOM 524 C ASN A 37 -5.683 17.683 1.087 1.00 0.00 C ATOM 525 O ASN A 37 -5.736 16.715 1.843 1.00 0.00 O ATOM 526 CB ASN A 37 -4.749 19.842 1.938 1.00 0.00 C ATOM 527 CG ASN A 37 -3.581 20.810 1.957 1.00 0.00 C ATOM 528 OD1 ASN A 37 -2.500 20.485 2.449 1.00 0.00 O ATOM 529 ND2 ASN A 37 -3.796 22.005 1.420 1.00 0.00 N ATOM 0 H ASN A 37 -4.090 20.011 -0.430 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.620 18.066 1.500 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.634 20.352 1.557 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.975 19.529 2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.048 22.699 1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.709 22.229 1.024 1.00 0.00 H new ATOM 536 N GLY A 38 -6.657 17.989 0.235 1.00 0.00 N ATOM 537 CA GLY A 38 -7.858 17.179 0.158 1.00 0.00 C ATOM 538 C GLY A 38 -7.670 15.944 -0.702 1.00 0.00 C ATOM 539 O GLY A 38 -8.298 15.809 -1.752 1.00 0.00 O ATOM 0 H GLY A 38 -6.635 18.784 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.154 16.877 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.672 17.780 -0.247 1.00 0.00 H new ATOM 543 N SER A 39 -6.801 15.043 -0.258 1.00 0.00 N ATOM 544 CA SER A 39 -6.527 13.816 -0.995 1.00 0.00 C ATOM 545 C SER A 39 -6.447 12.619 -0.053 1.00 0.00 C ATOM 546 O SER A 39 -5.931 12.725 1.060 1.00 0.00 O ATOM 547 CB SER A 39 -5.221 13.949 -1.780 1.00 0.00 C ATOM 548 OG SER A 39 -5.318 14.964 -2.765 1.00 0.00 O ATOM 0 H SER A 39 -6.274 15.140 0.610 1.00 0.00 H new ATOM 0 HA SER A 39 -7.348 13.651 -1.693 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.404 14.179 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.981 12.998 -2.256 1.00 0.00 H new ATOM 0 HG SER A 39 -4.902 15.786 -2.430 1.00 0.00 H new ATOM 554 N PHE A 40 -6.962 11.481 -0.506 1.00 0.00 N ATOM 555 CA PHE A 40 -6.952 10.264 0.298 1.00 0.00 C ATOM 556 C PHE A 40 -6.371 9.096 -0.494 1.00 0.00 C ATOM 557 O PHE A 40 -6.195 9.181 -1.710 1.00 0.00 O ATOM 558 CB PHE A 40 -8.369 9.924 0.766 1.00 0.00 C ATOM 559 CG PHE A 40 -9.247 9.385 -0.326 1.00 0.00 C ATOM 560 CD1 PHE A 40 -9.877 10.243 -1.213 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.443 8.021 -0.466 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.687 9.749 -2.217 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.251 7.521 -1.469 1.00 0.00 C ATOM 564 CZ PHE A 40 -10.874 8.387 -2.347 1.00 0.00 C ATOM 0 H PHE A 40 -7.391 11.376 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.322 10.439 1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.311 9.191 1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.830 10.819 1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.733 11.309 -1.118 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.958 7.340 0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.174 10.428 -2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.395 6.455 -1.567 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.506 8.000 -3.133 1.00 0.00 H new ATOM 574 N LEU A 41 -6.076 8.005 0.205 1.00 0.00 N ATOM 575 CA LEU A 41 -5.515 6.817 -0.431 1.00 0.00 C ATOM 576 C LEU A 41 -5.853 5.562 0.365 1.00 0.00 C ATOM 577 O LEU A 41 -6.102 5.625 1.569 1.00 0.00 O ATOM 578 CB LEU A 41 -3.998 6.957 -0.566 1.00 0.00 C ATOM 579 CG LEU A 41 -3.181 6.637 0.686 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.850 5.153 0.743 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.907 7.469 0.719 1.00 0.00 C ATOM 0 H LEU A 41 -6.216 7.918 1.212 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.955 6.723 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.663 6.303 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.773 7.979 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.780 6.890 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.268 4.944 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.774 4.575 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.271 4.875 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.338 7.228 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.305 7.248 -0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.164 8.528 0.726 1.00 0.00 H new ATOM 593 N VAL A 42 -5.857 4.419 -0.314 1.00 0.00 N ATOM 594 CA VAL A 42 -6.161 3.147 0.331 1.00 0.00 C ATOM 595 C VAL A 42 -4.991 2.178 0.211 1.00 0.00 C ATOM 596 O VAL A 42 -4.744 1.616 -0.856 1.00 0.00 O ATOM 597 CB VAL A 42 -7.417 2.495 -0.278 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.698 1.156 0.384 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.615 3.425 -0.150 1.00 0.00 C ATOM 0 H VAL A 42 -5.653 4.348 -1.311 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.346 3.362 1.384 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.235 2.317 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.589 0.711 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.847 0.491 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.860 1.305 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.494 2.949 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.801 3.636 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.410 4.357 -0.676 1.00 0.00 H new ATOM 609 N ARG A 43 -4.274 1.987 1.314 1.00 0.00 N ATOM 610 CA ARG A 43 -3.129 1.084 1.333 1.00 0.00 C ATOM 611 C ARG A 43 -3.361 -0.068 2.306 1.00 0.00 C ATOM 612 O ARG A 43 -4.391 -0.129 2.977 1.00 0.00 O ATOM 613 CB ARG A 43 -1.860 1.847 1.721 1.00 0.00 C ATOM 614 CG ARG A 43 -1.854 2.325 3.163 1.00 0.00 C ATOM 615 CD ARG A 43 -0.486 2.850 3.572 1.00 0.00 C ATOM 616 NE ARG A 43 -0.399 3.095 5.008 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.183 2.138 5.905 1.00 0.00 C ATOM 618 NH1 ARG A 43 -0.035 0.880 5.514 1.00 0.00 N ATOM 619 NH2 ARG A 43 -0.117 2.439 7.194 1.00 0.00 N ATOM 0 H ARG A 43 -4.465 2.445 2.205 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.006 0.671 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.995 1.204 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.748 2.707 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.599 3.111 3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.141 1.504 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.280 2.131 3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.277 3.774 3.034 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.510 4.053 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.087 0.645 4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.131 0.148 6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.232 3.406 7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.049 1.704 7.882 1.00 0.00 H new ATOM 633 N GLU A 44 -2.395 -0.979 2.377 1.00 0.00 N ATOM 634 CA GLU A 44 -2.496 -2.130 3.267 1.00 0.00 C ATOM 635 C GLU A 44 -1.674 -1.912 4.533 1.00 0.00 C ATOM 636 O GLU A 44 -0.588 -1.332 4.490 1.00 0.00 O ATOM 637 CB GLU A 44 -2.024 -3.398 2.552 1.00 0.00 C ATOM 638 CG GLU A 44 -2.378 -4.679 3.290 1.00 0.00 C ATOM 639 CD GLU A 44 -1.313 -5.091 4.288 1.00 0.00 C ATOM 640 OE1 GLU A 44 -0.151 -5.279 3.870 1.00 0.00 O ATOM 641 OE2 GLU A 44 -1.641 -5.224 5.485 1.00 0.00 O ATOM 0 H GLU A 44 -1.535 -0.942 1.830 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.542 -2.248 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.465 -3.429 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.943 -3.351 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.326 -4.544 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.523 -5.482 2.567 1.00 0.00 H new ATOM 649 N SER A 45 -2.200 -2.379 5.661 1.00 0.00 N ATOM 650 CA SER A 45 -1.519 -2.231 6.942 1.00 0.00 C ATOM 651 C SER A 45 -0.094 -2.772 6.865 1.00 0.00 C ATOM 652 O SER A 45 0.145 -3.842 6.304 1.00 0.00 O ATOM 653 CB SER A 45 -2.293 -2.959 8.043 1.00 0.00 C ATOM 654 OG SER A 45 -1.728 -2.702 9.317 1.00 0.00 O ATOM 0 H SER A 45 -3.096 -2.863 5.714 1.00 0.00 H new ATOM 0 HA SER A 45 -1.474 -1.168 7.181 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.335 -2.639 8.032 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.287 -4.031 7.848 1.00 0.00 H new ATOM 0 HG SER A 45 -2.241 -3.177 10.004 1.00 0.00 H new ATOM 660 N GLU A 46 0.848 -2.025 7.431 1.00 0.00 N ATOM 661 CA GLU A 46 2.249 -2.428 7.426 1.00 0.00 C ATOM 662 C GLU A 46 2.497 -3.548 8.432 1.00 0.00 C ATOM 663 O GLU A 46 3.185 -4.524 8.135 1.00 0.00 O ATOM 664 CB GLU A 46 3.149 -1.233 7.743 1.00 0.00 C ATOM 665 CG GLU A 46 4.630 -1.522 7.568 1.00 0.00 C ATOM 666 CD GLU A 46 4.998 -1.830 6.129 1.00 0.00 C ATOM 667 OE1 GLU A 46 4.648 -2.928 5.650 1.00 0.00 O ATOM 668 OE2 GLU A 46 5.637 -0.973 5.483 1.00 0.00 O ATOM 0 H GLU A 46 0.666 -1.137 7.899 1.00 0.00 H new ATOM 0 HA GLU A 46 2.489 -2.799 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.872 -0.399 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.968 -0.915 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.207 -0.663 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.909 -2.366 8.199 1.00 0.00 H new ATOM 676 N SER A 47 1.932 -3.397 9.626 1.00 0.00 N ATOM 677 CA SER A 47 2.096 -4.392 10.680 1.00 0.00 C ATOM 678 C SER A 47 1.336 -5.671 10.341 1.00 0.00 C ATOM 679 O SER A 47 1.938 -6.702 10.041 1.00 0.00 O ATOM 680 CB SER A 47 1.605 -3.834 12.017 1.00 0.00 C ATOM 681 OG SER A 47 1.515 -4.856 12.993 1.00 0.00 O ATOM 0 H SER A 47 1.357 -2.596 9.888 1.00 0.00 H new ATOM 0 HA SER A 47 3.157 -4.630 10.761 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.286 -3.056 12.362 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.629 -3.367 11.884 1.00 0.00 H new ATOM 0 HG SER A 47 1.201 -4.474 13.839 1.00 0.00 H new ATOM 687 N SER A 48 0.010 -5.596 10.392 1.00 0.00 N ATOM 688 CA SER A 48 -0.832 -6.748 10.095 1.00 0.00 C ATOM 689 C SER A 48 -0.890 -7.005 8.592 1.00 0.00 C ATOM 690 O SER A 48 -1.337 -6.166 7.810 1.00 0.00 O ATOM 691 CB SER A 48 -2.244 -6.528 10.642 1.00 0.00 C ATOM 692 OG SER A 48 -2.238 -6.452 12.056 1.00 0.00 O ATOM 0 H SER A 48 -0.504 -4.750 10.636 1.00 0.00 H new ATOM 0 HA SER A 48 -0.395 -7.622 10.578 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.659 -5.609 10.227 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.892 -7.343 10.322 1.00 0.00 H new ATOM 0 HG SER A 48 -3.152 -6.309 12.380 1.00 0.00 H new ATOM 698 N PRO A 49 -0.429 -8.195 8.178 1.00 0.00 N ATOM 699 CA PRO A 49 -0.417 -8.592 6.767 1.00 0.00 C ATOM 700 C PRO A 49 -1.820 -8.838 6.223 1.00 0.00 C ATOM 701 O PRO A 49 -2.623 -9.533 6.843 1.00 0.00 O ATOM 702 CB PRO A 49 0.391 -9.891 6.771 1.00 0.00 C ATOM 703 CG PRO A 49 0.225 -10.437 8.147 1.00 0.00 C ATOM 704 CD PRO A 49 0.118 -9.243 9.055 1.00 0.00 C ATOM 0 HA PRO A 49 0.003 -7.815 6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.021 -10.590 6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.441 -9.705 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.667 -11.060 8.215 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.073 -11.063 8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.538 -9.440 9.903 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.089 -8.960 9.462 1.00 0.00 H new ATOM 712 N GLY A 50 -2.107 -8.263 5.058 1.00 0.00 N ATOM 713 CA GLY A 50 -3.414 -8.432 4.450 1.00 0.00 C ATOM 714 C GLY A 50 -4.416 -7.406 4.936 1.00 0.00 C ATOM 715 O GLY A 50 -5.202 -6.876 4.149 1.00 0.00 O ATOM 0 H GLY A 50 -1.458 -7.684 4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.320 -8.358 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.787 -9.432 4.670 1.00 0.00 H new ATOM 719 N GLN A 51 -4.392 -7.124 6.234 1.00 0.00 N ATOM 720 CA GLN A 51 -5.309 -6.156 6.823 1.00 0.00 C ATOM 721 C GLN A 51 -5.234 -4.821 6.091 1.00 0.00 C ATOM 722 O GLN A 51 -4.174 -4.198 6.020 1.00 0.00 O ATOM 723 CB GLN A 51 -4.990 -5.956 8.306 1.00 0.00 C ATOM 724 CG GLN A 51 -5.377 -7.141 9.176 1.00 0.00 C ATOM 725 CD GLN A 51 -6.856 -7.467 9.095 1.00 0.00 C ATOM 726 OE1 GLN A 51 -7.668 -6.624 8.713 1.00 0.00 O ATOM 727 NE2 GLN A 51 -7.213 -8.694 9.456 1.00 0.00 N ATOM 0 H GLN A 51 -3.747 -7.552 6.898 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.322 -6.547 6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.922 -5.767 8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.510 -5.067 8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.799 -8.014 8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.112 -6.928 10.212 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.506 -9.360 9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.194 -8.970 9.423 1.00 0.00 H new ATOM 736 N LEU A 52 -6.365 -4.387 5.545 1.00 0.00 N ATOM 737 CA LEU A 52 -6.428 -3.124 4.817 1.00 0.00 C ATOM 738 C LEU A 52 -6.437 -1.939 5.779 1.00 0.00 C ATOM 739 O LEU A 52 -6.630 -2.107 6.982 1.00 0.00 O ATOM 740 CB LEU A 52 -7.674 -3.085 3.930 1.00 0.00 C ATOM 741 CG LEU A 52 -7.637 -3.965 2.681 1.00 0.00 C ATOM 742 CD1 LEU A 52 -8.997 -3.983 2.000 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.562 -3.482 1.719 1.00 0.00 C ATOM 0 H LEU A 52 -7.251 -4.891 5.593 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.540 -3.051 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.533 -3.380 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.842 -2.054 3.619 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.393 -4.983 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.951 -4.615 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.744 -4.378 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.272 -2.969 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.551 -4.121 0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.775 -2.455 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.589 -3.524 2.209 1.00 0.00 H new ATOM 755 N SER A 53 -6.227 -0.743 5.239 1.00 0.00 N ATOM 756 CA SER A 53 -6.209 0.468 6.049 1.00 0.00 C ATOM 757 C SER A 53 -6.311 1.712 5.169 1.00 0.00 C ATOM 758 O SER A 53 -5.641 1.813 4.141 1.00 0.00 O ATOM 759 CB SER A 53 -4.932 0.527 6.889 1.00 0.00 C ATOM 760 OG SER A 53 -4.883 1.716 7.661 1.00 0.00 O ATOM 0 H SER A 53 -6.067 -0.587 4.244 1.00 0.00 H new ATOM 0 HA SER A 53 -7.072 0.443 6.715 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.886 -0.340 7.548 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.061 0.478 6.236 1.00 0.00 H new ATOM 0 HG SER A 53 -4.058 1.729 8.190 1.00 0.00 H new ATOM 766 N ILE A 54 -7.152 2.654 5.583 1.00 0.00 N ATOM 767 CA ILE A 54 -7.339 3.890 4.833 1.00 0.00 C ATOM 768 C ILE A 54 -6.563 5.039 5.467 1.00 0.00 C ATOM 769 O ILE A 54 -6.491 5.154 6.689 1.00 0.00 O ATOM 770 CB ILE A 54 -8.828 4.277 4.751 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.587 3.281 3.870 1.00 0.00 C ATOM 772 CG2 ILE A 54 -8.979 5.691 4.211 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.082 3.290 4.099 1.00 0.00 C ATOM 0 H ILE A 54 -7.714 2.585 6.432 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.961 3.710 3.827 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.253 4.245 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.386 3.508 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.205 2.278 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.037 5.950 4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.467 6.390 4.872 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.542 5.748 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.555 2.561 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.293 3.033 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.477 4.283 3.883 1.00 0.00 H new ATOM 785 N SER A 55 -5.982 5.889 4.624 1.00 0.00 N ATOM 786 CA SER A 55 -5.208 7.028 5.101 1.00 0.00 C ATOM 787 C SER A 55 -5.487 8.267 4.253 1.00 0.00 C ATOM 788 O SER A 55 -5.240 8.276 3.046 1.00 0.00 O ATOM 789 CB SER A 55 -3.713 6.704 5.073 1.00 0.00 C ATOM 790 OG SER A 55 -3.363 5.827 6.130 1.00 0.00 O ATOM 0 H SER A 55 -6.033 5.809 3.608 1.00 0.00 H new ATOM 0 HA SER A 55 -5.508 7.235 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.454 6.249 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.136 7.625 5.154 1.00 0.00 H new ATOM 0 HG SER A 55 -2.403 5.633 6.090 1.00 0.00 H new ATOM 796 N LEU A 56 -6.004 9.310 4.893 1.00 0.00 N ATOM 797 CA LEU A 56 -6.317 10.555 4.200 1.00 0.00 C ATOM 798 C LEU A 56 -5.747 11.754 4.951 1.00 0.00 C ATOM 799 O LEU A 56 -5.647 11.742 6.178 1.00 0.00 O ATOM 800 CB LEU A 56 -7.831 10.708 4.046 1.00 0.00 C ATOM 801 CG LEU A 56 -8.550 11.444 5.178 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.291 12.940 5.092 1.00 0.00 C ATOM 803 CD2 LEU A 56 -10.043 11.155 5.138 1.00 0.00 C ATOM 0 H LEU A 56 -6.215 9.318 5.891 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.859 10.518 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.030 11.235 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.269 9.714 3.950 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.156 11.083 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.811 13.447 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.220 13.129 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.656 13.318 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.538 11.687 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.452 11.487 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.209 10.084 5.251 1.00 0.00 H new ATOM 815 N ARG A 57 -5.374 12.789 4.205 1.00 0.00 N ATOM 816 CA ARG A 57 -4.815 13.997 4.800 1.00 0.00 C ATOM 817 C ARG A 57 -5.919 14.981 5.172 1.00 0.00 C ATOM 818 O ARG A 57 -6.766 15.323 4.345 1.00 0.00 O ATOM 819 CB ARG A 57 -3.831 14.659 3.832 1.00 0.00 C ATOM 820 CG ARG A 57 -2.393 14.206 4.022 1.00 0.00 C ATOM 821 CD ARG A 57 -1.657 15.091 5.016 1.00 0.00 C ATOM 822 NE ARG A 57 -0.210 15.051 4.817 1.00 0.00 N ATOM 823 CZ ARG A 57 0.428 15.785 3.912 1.00 0.00 C ATOM 824 NH1 ARG A 57 -0.250 16.611 3.127 1.00 0.00 N ATOM 825 NH2 ARG A 57 1.746 15.694 3.791 1.00 0.00 N ATOM 0 H ARG A 57 -5.449 12.815 3.188 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.285 13.713 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.139 14.442 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.882 15.740 3.958 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.379 13.174 4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.875 14.225 3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.008 16.118 4.917 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.892 14.770 6.031 1.00 0.00 H new ATOM 0 HE ARG A 57 0.340 14.425 5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.263 16.684 3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.242 17.174 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.271 15.060 4.393 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.234 16.258 3.096 1.00 0.00 H new ATOM 839 N TYR A 58 -5.905 15.433 6.420 1.00 0.00 N ATOM 840 CA TYR A 58 -6.907 16.375 6.904 1.00 0.00 C ATOM 841 C TYR A 58 -6.252 17.536 7.647 1.00 0.00 C ATOM 842 O TYR A 58 -5.565 17.335 8.649 1.00 0.00 O ATOM 843 CB TYR A 58 -7.906 15.668 7.820 1.00 0.00 C ATOM 844 CG TYR A 58 -9.136 16.490 8.127 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.879 17.072 7.106 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.557 16.687 9.436 1.00 0.00 C ATOM 847 CE1 TYR A 58 -11.003 17.825 7.380 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.682 17.437 9.720 1.00 0.00 C ATOM 849 CZ TYR A 58 -11.401 18.003 8.689 1.00 0.00 C ATOM 850 OH TYR A 58 -12.522 18.753 8.968 1.00 0.00 O ATOM 0 H TYR A 58 -5.210 15.162 7.116 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.438 16.774 6.039 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.213 14.731 7.354 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.409 15.411 8.755 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.571 16.932 6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.995 16.246 10.246 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.567 18.272 6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.996 17.579 10.743 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.665 18.779 9.937 1.00 0.00 H new ATOM 860 N GLU A 59 -6.467 18.749 7.148 1.00 0.00 N ATOM 861 CA GLU A 59 -5.897 19.941 7.764 1.00 0.00 C ATOM 862 C GLU A 59 -4.371 19.903 7.714 1.00 0.00 C ATOM 863 O GLU A 59 -3.697 20.522 8.536 1.00 0.00 O ATOM 864 CB GLU A 59 -6.368 20.066 9.215 1.00 0.00 C ATOM 865 CG GLU A 59 -7.704 20.773 9.363 1.00 0.00 C ATOM 866 CD GLU A 59 -7.882 21.405 10.730 1.00 0.00 C ATOM 867 OE1 GLU A 59 -8.993 21.298 11.292 1.00 0.00 O ATOM 868 OE2 GLU A 59 -6.913 22.006 11.238 1.00 0.00 O ATOM 0 H GLU A 59 -7.032 18.932 6.319 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.240 20.809 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.444 19.070 9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.615 20.608 9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.790 21.544 8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.510 20.060 9.189 1.00 0.00 H new ATOM 876 N GLY A 60 -3.836 19.170 6.743 1.00 0.00 N ATOM 877 CA GLY A 60 -2.395 19.063 6.603 1.00 0.00 C ATOM 878 C GLY A 60 -1.848 17.782 7.199 1.00 0.00 C ATOM 879 O GLY A 60 -1.008 17.116 6.594 1.00 0.00 O ATOM 0 H GLY A 60 -4.374 18.648 6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.131 19.110 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.922 19.917 7.088 1.00 0.00 H new ATOM 883 N ARG A 61 -2.323 17.435 8.392 1.00 0.00 N ATOM 884 CA ARG A 61 -1.873 16.228 9.071 1.00 0.00 C ATOM 885 C ARG A 61 -2.453 14.982 8.407 1.00 0.00 C ATOM 886 O ARG A 61 -3.497 15.041 7.756 1.00 0.00 O ATOM 887 CB ARG A 61 -2.277 16.266 10.546 1.00 0.00 C ATOM 888 CG ARG A 61 -1.732 17.469 11.297 1.00 0.00 C ATOM 889 CD ARG A 61 -2.583 17.802 12.512 1.00 0.00 C ATOM 890 NE ARG A 61 -3.654 18.742 12.190 1.00 0.00 N ATOM 891 CZ ARG A 61 -3.494 20.060 12.171 1.00 0.00 C ATOM 892 NH1 ARG A 61 -2.314 20.592 12.454 1.00 0.00 N ATOM 893 NH2 ARG A 61 -4.517 20.850 11.868 1.00 0.00 N ATOM 0 H ARG A 61 -3.019 17.974 8.907 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.786 16.185 8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.365 16.267 10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.927 15.356 11.033 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.708 17.268 11.613 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.697 18.330 10.630 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.014 16.885 12.915 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.951 18.226 13.292 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.575 18.365 11.968 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.525 19.989 12.687 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.194 21.605 12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.427 20.445 11.649 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.393 21.862 11.854 1.00 0.00 H new ATOM 907 N VAL A 62 -1.768 13.855 8.574 1.00 0.00 N ATOM 908 CA VAL A 62 -2.215 12.596 7.991 1.00 0.00 C ATOM 909 C VAL A 62 -3.074 11.809 8.974 1.00 0.00 C ATOM 910 O VAL A 62 -2.807 11.798 10.176 1.00 0.00 O ATOM 911 CB VAL A 62 -1.022 11.724 7.557 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.502 10.371 7.053 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.201 12.437 6.493 1.00 0.00 C ATOM 0 H VAL A 62 -0.902 13.788 9.108 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.810 12.848 7.113 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.384 11.555 8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.644 9.770 6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.043 9.858 7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.163 10.515 6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.638 11.807 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.827 12.638 5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.176 13.378 6.894 1.00 0.00 H new ATOM 923 N TYR A 63 -4.104 11.150 8.456 1.00 0.00 N ATOM 924 CA TYR A 63 -5.003 10.361 9.288 1.00 0.00 C ATOM 925 C TYR A 63 -5.090 8.922 8.787 1.00 0.00 C ATOM 926 O TYR A 63 -4.690 8.620 7.662 1.00 0.00 O ATOM 927 CB TYR A 63 -6.399 10.990 9.306 1.00 0.00 C ATOM 928 CG TYR A 63 -6.448 12.331 10.001 1.00 0.00 C ATOM 929 CD1 TYR A 63 -5.704 13.407 9.534 1.00 0.00 C ATOM 930 CD2 TYR A 63 -7.241 12.524 11.127 1.00 0.00 C ATOM 931 CE1 TYR A 63 -5.746 14.634 10.165 1.00 0.00 C ATOM 932 CE2 TYR A 63 -7.290 13.748 11.764 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.540 14.800 11.281 1.00 0.00 C ATOM 934 OH TYR A 63 -6.586 16.021 11.912 1.00 0.00 O ATOM 0 H TYR A 63 -4.337 11.147 7.463 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.602 10.350 10.301 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.749 11.108 8.280 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.090 10.308 9.801 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.081 13.281 8.661 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.828 11.703 11.510 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.161 15.459 9.787 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.913 13.881 12.636 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.193 15.970 12.680 1.00 0.00 H new ATOM 944 N HIS A 64 -5.613 8.039 9.631 1.00 0.00 N ATOM 945 CA HIS A 64 -5.754 6.632 9.274 1.00 0.00 C ATOM 946 C HIS A 64 -7.078 6.071 9.782 1.00 0.00 C ATOM 947 O HIS A 64 -7.757 6.698 10.597 1.00 0.00 O ATOM 948 CB HIS A 64 -4.591 5.820 9.846 1.00 0.00 C ATOM 949 CG HIS A 64 -4.671 5.621 11.329 1.00 0.00 C ATOM 950 ND1 HIS A 64 -4.007 4.609 11.989 1.00 0.00 N ATOM 951 CD2 HIS A 64 -5.341 6.313 12.279 1.00 0.00 C ATOM 952 CE1 HIS A 64 -4.267 4.685 13.282 1.00 0.00 C ATOM 953 NE2 HIS A 64 -5.074 5.711 13.485 1.00 0.00 N ATOM 0 H HIS A 64 -5.946 8.272 10.566 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.741 6.557 8.187 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.564 4.846 9.358 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.654 6.323 9.605 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.969 7.177 12.119 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.885 4.021 14.043 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.439 6.008 14.390 1.00 0.00 H new ATOM 962 N TYR A 65 -7.441 4.889 9.298 1.00 0.00 N ATOM 963 CA TYR A 65 -8.685 4.246 9.700 1.00 0.00 C ATOM 964 C TYR A 65 -8.618 2.739 9.473 1.00 0.00 C ATOM 965 O TYR A 65 -8.570 2.273 8.334 1.00 0.00 O ATOM 966 CB TYR A 65 -9.864 4.838 8.925 1.00 0.00 C ATOM 967 CG TYR A 65 -9.799 6.341 8.780 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.109 6.929 7.725 1.00 0.00 C ATOM 969 CD2 TYR A 65 -10.426 7.176 9.696 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.047 8.302 7.589 1.00 0.00 C ATOM 971 CE2 TYR A 65 -10.370 8.550 9.567 1.00 0.00 C ATOM 972 CZ TYR A 65 -9.679 9.109 8.512 1.00 0.00 C ATOM 973 OH TYR A 65 -9.620 10.476 8.379 1.00 0.00 O ATOM 0 H TYR A 65 -6.890 4.356 8.625 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.830 4.429 10.765 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.899 4.387 7.933 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.792 4.570 9.431 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.613 6.301 7.000 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.967 6.743 10.524 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.506 8.742 6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.865 9.183 10.288 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.720 10.738 8.092 1.00 0.00 H new ATOM 983 N ARG A 66 -8.616 1.981 10.565 1.00 0.00 N ATOM 984 CA ARG A 66 -8.556 0.527 10.486 1.00 0.00 C ATOM 985 C ARG A 66 -9.898 -0.051 10.045 1.00 0.00 C ATOM 986 O ARG A 66 -10.949 0.341 10.552 1.00 0.00 O ATOM 987 CB ARG A 66 -8.156 -0.061 11.841 1.00 0.00 C ATOM 988 CG ARG A 66 -7.491 -1.424 11.740 1.00 0.00 C ATOM 989 CD ARG A 66 -8.516 -2.547 11.737 1.00 0.00 C ATOM 990 NE ARG A 66 -8.938 -2.903 13.090 1.00 0.00 N ATOM 991 CZ ARG A 66 -8.230 -3.680 13.900 1.00 0.00 C ATOM 992 NH1 ARG A 66 -7.068 -4.178 13.498 1.00 0.00 N ATOM 993 NH2 ARG A 66 -8.681 -3.959 15.117 1.00 0.00 N ATOM 0 H ARG A 66 -8.655 2.350 11.515 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.804 0.259 9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.477 0.629 12.341 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.044 -0.145 12.468 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.895 -1.472 10.829 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.806 -1.558 12.577 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.385 -2.244 11.154 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.093 -3.423 11.246 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.826 -2.534 13.431 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.717 -3.964 12.565 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.526 -4.775 14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.573 -3.576 15.431 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.136 -4.556 15.738 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.852 -0.982 9.098 1.00 0.00 N ATOM 1008 CA ILE A 67 -11.063 -1.613 8.590 1.00 0.00 C ATOM 1009 C ILE A 67 -11.513 -2.751 9.499 1.00 0.00 C ATOM 1010 O ILE A 67 -10.703 -3.568 9.934 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.856 -2.159 7.165 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.752 -1.007 6.163 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.997 -3.094 6.787 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.343 -0.487 5.986 1.00 0.00 C ATOM 0 H ILE A 67 -8.990 -1.316 8.668 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.835 -0.844 8.567 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.924 -2.723 7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.132 -1.341 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.394 -0.190 6.493 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.838 -3.473 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.030 -3.929 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.941 -2.550 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.344 0.328 5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.967 -0.123 6.942 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.701 -1.291 5.626 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.811 -2.800 9.780 1.00 0.00 N ATOM 1027 CA ASN A 68 -13.370 -3.839 10.636 1.00 0.00 C ATOM 1028 C ASN A 68 -14.261 -4.783 9.835 1.00 0.00 C ATOM 1029 O ASN A 68 -14.897 -4.379 8.860 1.00 0.00 O ATOM 1030 CB ASN A 68 -14.170 -3.212 11.779 1.00 0.00 C ATOM 1031 CG ASN A 68 -13.305 -2.376 12.701 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -12.247 -2.820 13.149 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -13.750 -1.158 12.988 1.00 0.00 N ATOM 0 H ASN A 68 -13.496 -2.131 9.427 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.543 -4.414 11.053 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.962 -2.589 11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.654 -4.001 12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.209 -0.549 13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.632 -0.831 12.594 1.00 0.00 H new ATOM 1040 N THR A 69 -14.303 -6.046 10.251 1.00 0.00 N ATOM 1041 CA THR A 69 -15.114 -7.049 9.573 1.00 0.00 C ATOM 1042 C THR A 69 -16.181 -7.613 10.504 1.00 0.00 C ATOM 1043 O THR A 69 -15.968 -7.737 11.711 1.00 0.00 O ATOM 1044 CB THR A 69 -14.249 -8.207 9.042 1.00 0.00 C ATOM 1045 OG1 THR A 69 -13.069 -8.344 9.843 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.857 -7.968 7.591 1.00 0.00 C ATOM 0 H THR A 69 -13.784 -6.398 11.055 1.00 0.00 H new ATOM 0 HA THR A 69 -15.595 -6.550 8.732 1.00 0.00 H new ATOM 0 HB THR A 69 -14.835 -9.124 9.098 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.525 -9.083 9.500 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.246 -8.799 7.237 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.756 -7.892 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.288 -7.042 7.516 1.00 0.00 H new ATOM 1054 N THR A 70 -17.334 -7.954 9.936 1.00 0.00 N ATOM 1055 CA THR A 70 -18.436 -8.506 10.715 1.00 0.00 C ATOM 1056 C THR A 70 -18.979 -9.779 10.075 1.00 0.00 C ATOM 1057 O THR A 70 -18.975 -10.844 10.692 1.00 0.00 O ATOM 1058 CB THR A 70 -19.584 -7.490 10.862 1.00 0.00 C ATOM 1059 OG1 THR A 70 -20.836 -8.176 10.960 1.00 0.00 O ATOM 1060 CG2 THR A 70 -19.614 -6.533 9.679 1.00 0.00 C ATOM 0 H THR A 70 -17.529 -7.858 8.939 1.00 0.00 H new ATOM 0 HA THR A 70 -18.038 -8.740 11.703 1.00 0.00 H new ATOM 0 HB THR A 70 -19.415 -6.913 11.771 1.00 0.00 H new ATOM 0 HG1 THR A 70 -21.560 -7.523 11.055 1.00 0.00 H new ATOM 0 HG21 THR A 70 -20.433 -5.825 9.805 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.670 -5.991 9.626 1.00 0.00 H new ATOM 0 HG23 THR A 70 -19.761 -7.097 8.758 1.00 0.00 H new ATOM 1068 N ALA A 71 -19.443 -9.661 8.836 1.00 0.00 N ATOM 1069 CA ALA A 71 -19.986 -10.803 8.112 1.00 0.00 C ATOM 1070 C ALA A 71 -19.808 -10.636 6.607 1.00 0.00 C ATOM 1071 O ALA A 71 -19.781 -9.515 6.096 1.00 0.00 O ATOM 1072 CB ALA A 71 -21.457 -10.993 8.452 1.00 0.00 C ATOM 0 H ALA A 71 -19.454 -8.786 8.312 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.434 -11.691 8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -21.849 -11.850 7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -21.563 -11.168 9.523 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -22.013 -10.098 8.173 1.00 0.00 H new ATOM 1078 N ASP A 72 -19.686 -11.754 5.902 1.00 0.00 N ATOM 1079 CA ASP A 72 -19.509 -11.731 4.454 1.00 0.00 C ATOM 1080 C ASP A 72 -18.426 -10.733 4.055 1.00 0.00 C ATOM 1081 O ASP A 72 -18.548 -10.039 3.047 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.827 -11.376 3.765 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.902 -12.418 3.998 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -22.806 -12.165 4.822 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -21.840 -13.487 3.356 1.00 0.00 O ATOM 0 H ASP A 72 -19.706 -12.689 6.309 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.197 -12.725 4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -21.176 -10.410 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.656 -11.268 2.694 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.366 -10.668 4.855 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.277 -9.751 4.569 1.00 0.00 C ATOM 1093 C GLY A 73 -16.732 -8.305 4.527 1.00 0.00 C ATOM 1094 O GLY A 73 -16.144 -7.482 3.827 1.00 0.00 O ATOM 0 H GLY A 73 -17.242 -11.233 5.695 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.503 -9.863 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.826 -10.015 3.612 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.782 -7.996 5.279 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.318 -6.640 5.327 1.00 0.00 C ATOM 1100 C LYS A 74 -17.334 -5.691 6.004 1.00 0.00 C ATOM 1101 O LYS A 74 -16.954 -5.893 7.158 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.654 -6.623 6.070 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.850 -6.905 5.178 1.00 0.00 C ATOM 1104 CD LYS A 74 -22.128 -6.325 5.759 1.00 0.00 C ATOM 1105 CE LYS A 74 -23.341 -6.686 4.914 1.00 0.00 C ATOM 1106 NZ LYS A 74 -24.618 -6.397 5.621 1.00 0.00 N ATOM 0 H LYS A 74 -18.280 -8.667 5.865 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.476 -6.302 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.625 -7.364 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.785 -5.649 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.675 -6.483 4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.963 -7.981 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.268 -6.696 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.039 -5.241 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.310 -6.128 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.301 -7.744 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -25.419 -6.657 5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -24.660 -6.949 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.669 -5.383 5.845 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.926 -4.653 5.281 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.990 -3.670 5.814 1.00 0.00 C ATOM 1122 C VAL A 75 -16.688 -2.348 6.106 1.00 0.00 C ATOM 1123 O VAL A 75 -17.547 -1.905 5.343 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.824 -3.420 4.837 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.881 -4.613 4.812 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.353 -3.117 3.444 1.00 0.00 C ATOM 0 H VAL A 75 -17.229 -4.471 4.324 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.594 -4.080 6.743 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.262 -2.553 5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.065 -4.417 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.476 -4.777 5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.426 -5.501 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.517 -2.943 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.940 -3.963 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.982 -2.228 3.479 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.313 -1.720 7.215 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.905 -0.447 7.610 1.00 0.00 C ATOM 1138 C TYR A 76 -16.110 0.194 8.743 1.00 0.00 C ATOM 1139 O TYR A 76 -15.997 -0.366 9.834 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.358 -0.649 8.042 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.502 -1.258 9.418 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -18.332 -2.624 9.615 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.809 -0.470 10.520 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -18.463 -3.186 10.870 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.940 -1.024 11.779 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.767 -2.381 11.949 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.898 -2.936 13.201 1.00 0.00 O ATOM 0 H TYR A 76 -15.602 -2.072 7.856 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.879 0.221 6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.870 0.313 8.024 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.858 -1.290 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.094 -3.256 8.772 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.948 0.593 10.391 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -18.328 -4.249 11.006 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -19.177 -0.397 12.626 1.00 0.00 H new ATOM 0 HH TYR A 76 -19.112 -2.233 13.850 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.560 1.375 8.477 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.777 2.096 9.473 1.00 0.00 C ATOM 1159 C VAL A 77 -15.623 3.148 10.183 1.00 0.00 C ATOM 1160 O VAL A 77 -15.504 4.343 9.913 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.554 2.782 8.837 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.629 1.751 8.208 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -13.996 3.812 7.808 1.00 0.00 C ATOM 0 H VAL A 77 -15.643 1.853 7.579 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.435 1.359 10.199 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.001 3.299 9.621 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.771 2.255 7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.285 1.056 8.974 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.168 1.202 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.119 4.287 7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.573 3.320 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.614 4.568 8.292 1.00 0.00 H new ATOM 1173 N THR A 78 -16.480 2.693 11.093 1.00 0.00 N ATOM 1174 CA THR A 78 -17.348 3.594 11.841 1.00 0.00 C ATOM 1175 C THR A 78 -18.167 2.832 12.879 1.00 0.00 C ATOM 1176 O THR A 78 -18.251 1.605 12.837 1.00 0.00 O ATOM 1177 CB THR A 78 -18.306 4.355 10.907 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.327 5.004 11.674 1.00 0.00 O ATOM 1179 CG2 THR A 78 -18.946 3.411 9.900 1.00 0.00 C ATOM 0 H THR A 78 -16.591 1.707 11.329 1.00 0.00 H new ATOM 0 HA THR A 78 -16.700 4.310 12.346 1.00 0.00 H new ATOM 0 HB THR A 78 -17.728 5.103 10.364 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.382 5.947 11.414 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.619 3.972 9.251 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.169 2.941 9.297 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.510 2.642 10.429 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.768 3.568 13.807 1.00 0.00 N ATOM 1188 CA ALA A 79 -19.582 2.963 14.854 1.00 0.00 C ATOM 1189 C ALA A 79 -21.020 3.466 14.790 1.00 0.00 C ATOM 1190 O ALA A 79 -21.689 3.588 15.815 1.00 0.00 O ATOM 1191 CB ALA A 79 -18.981 3.248 16.222 1.00 0.00 C ATOM 0 H ALA A 79 -18.707 4.585 13.855 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.594 1.885 14.693 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.600 2.790 16.994 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.974 2.833 16.271 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.938 4.325 16.383 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.488 3.756 13.580 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.847 4.247 13.386 1.00 0.00 C ATOM 1199 C GLU A 80 -23.522 3.532 12.218 1.00 0.00 C ATOM 1200 O GLU A 80 -24.712 3.220 12.271 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.836 5.756 13.135 1.00 0.00 C ATOM 1202 CG GLU A 80 -22.170 6.553 14.246 1.00 0.00 C ATOM 1203 CD GLU A 80 -22.605 8.005 14.264 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -21.736 8.882 14.451 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -23.814 8.264 14.092 1.00 0.00 O ATOM 0 H GLU A 80 -20.947 3.660 12.721 1.00 0.00 H new ATOM 0 HA GLU A 80 -23.414 4.040 14.294 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.320 5.956 12.196 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.862 6.103 13.015 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.405 6.095 15.207 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.088 6.503 14.125 1.00 0.00 H new ATOM 1213 N SER A 81 -22.753 3.277 11.164 1.00 0.00 N ATOM 1214 CA SER A 81 -23.276 2.603 9.981 1.00 0.00 C ATOM 1215 C SER A 81 -22.325 1.506 9.515 1.00 0.00 C ATOM 1216 O SER A 81 -21.251 1.317 10.087 1.00 0.00 O ATOM 1217 CB SER A 81 -23.503 3.610 8.853 1.00 0.00 C ATOM 1218 OG SER A 81 -22.425 4.525 8.762 1.00 0.00 O ATOM 0 H SER A 81 -21.766 3.527 11.105 1.00 0.00 H new ATOM 0 HA SER A 81 -24.229 2.145 10.246 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.616 3.081 7.907 1.00 0.00 H new ATOM 0 HB3 SER A 81 -24.432 4.153 9.028 1.00 0.00 H new ATOM 0 HG SER A 81 -22.717 5.407 9.073 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.726 0.787 8.473 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.910 -0.293 7.929 1.00 0.00 C ATOM 1226 C ARG A 82 -21.981 -0.313 6.406 1.00 0.00 C ATOM 1227 O ARG A 82 -22.691 0.487 5.795 1.00 0.00 O ATOM 1228 CB ARG A 82 -22.370 -1.641 8.490 1.00 0.00 C ATOM 1229 CG ARG A 82 -22.050 -1.829 9.964 1.00 0.00 C ATOM 1230 CD ARG A 82 -22.398 -3.231 10.435 1.00 0.00 C ATOM 1231 NE ARG A 82 -22.600 -3.289 11.880 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.337 -4.215 12.483 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -23.939 -5.156 11.769 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -23.473 -4.201 13.803 1.00 0.00 N ATOM 0 H ARG A 82 -23.611 0.932 7.988 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.876 -0.118 8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.446 -1.737 8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.899 -2.442 7.920 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.990 -1.639 10.134 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.603 -1.098 10.554 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -23.302 -3.569 9.929 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.599 -3.917 10.153 1.00 0.00 H new ATOM 0 HE ARG A 82 -22.150 -2.579 12.458 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -23.837 -5.170 10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -24.504 -5.866 12.234 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -23.011 -3.479 14.356 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -24.039 -4.913 14.265 1.00 0.00 H new ATOM 1248 N PHE A 83 -21.238 -1.233 5.796 1.00 0.00 N ATOM 1249 CA PHE A 83 -21.215 -1.356 4.344 1.00 0.00 C ATOM 1250 C PHE A 83 -21.037 -2.812 3.925 1.00 0.00 C ATOM 1251 O PHE A 83 -20.877 -3.696 4.766 1.00 0.00 O ATOM 1252 CB PHE A 83 -20.089 -0.503 3.756 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.201 0.956 4.097 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -19.653 1.452 5.269 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -20.854 1.832 3.245 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -19.756 2.793 5.585 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -20.961 3.174 3.555 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.409 3.656 4.726 1.00 0.00 C ATOM 0 H PHE A 83 -20.645 -1.903 6.286 1.00 0.00 H new ATOM 0 HA PHE A 83 -22.170 -0.999 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.132 -0.880 4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -20.087 -0.615 2.672 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.139 0.783 5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -21.285 1.461 2.327 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -19.326 3.166 6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -21.475 3.845 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.488 4.705 4.970 1.00 0.00 H new ATOM 1268 N SER A 84 -21.066 -3.054 2.617 1.00 0.00 N ATOM 1269 CA SER A 84 -20.912 -4.403 2.086 1.00 0.00 C ATOM 1270 C SER A 84 -19.457 -4.680 1.721 1.00 0.00 C ATOM 1271 O SER A 84 -18.829 -5.587 2.269 1.00 0.00 O ATOM 1272 CB SER A 84 -21.803 -4.594 0.856 1.00 0.00 C ATOM 1273 OG SER A 84 -21.593 -3.561 -0.090 1.00 0.00 O ATOM 0 H SER A 84 -21.195 -2.333 1.907 1.00 0.00 H new ATOM 0 HA SER A 84 -21.215 -5.109 2.859 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.593 -5.560 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.850 -4.606 1.160 1.00 0.00 H new ATOM 0 HG SER A 84 -22.172 -3.706 -0.867 1.00 0.00 H new ATOM 1279 N THR A 85 -18.925 -3.891 0.792 1.00 0.00 N ATOM 1280 CA THR A 85 -17.545 -4.052 0.352 1.00 0.00 C ATOM 1281 C THR A 85 -16.798 -2.723 0.391 1.00 0.00 C ATOM 1282 O THR A 85 -17.376 -1.683 0.710 1.00 0.00 O ATOM 1283 CB THR A 85 -17.473 -4.625 -1.076 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.101 -3.727 -1.998 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.149 -5.986 -1.147 1.00 0.00 C ATOM 0 H THR A 85 -19.429 -3.134 0.330 1.00 0.00 H new ATOM 0 HA THR A 85 -17.073 -4.753 1.041 1.00 0.00 H new ATOM 0 HB THR A 85 -16.423 -4.743 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.049 -4.098 -2.903 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.086 -6.371 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 85 -17.650 -6.676 -0.466 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.196 -5.888 -0.861 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.510 -2.765 0.067 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.683 -1.563 0.066 1.00 0.00 C ATOM 1295 C LEU A 86 -15.207 -0.543 -0.940 1.00 0.00 C ATOM 1296 O LEU A 86 -15.519 0.592 -0.583 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.231 -1.919 -0.261 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.174 -0.917 0.201 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.149 -0.829 1.719 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -10.803 -1.305 -0.335 1.00 0.00 C ATOM 0 H LEU A 86 -15.016 -3.617 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.727 -1.121 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.006 -2.887 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.142 -2.039 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.433 0.065 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.390 -0.111 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.125 -0.505 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.914 -1.808 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.062 -0.581 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.536 -2.296 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.828 -1.316 -1.425 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.302 -0.957 -2.199 1.00 0.00 N ATOM 1313 CA ALA A 87 -15.792 -0.081 -3.257 1.00 0.00 C ATOM 1314 C ALA A 87 -16.903 0.829 -2.744 1.00 0.00 C ATOM 1315 O ALA A 87 -16.984 1.998 -3.122 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.283 -0.903 -4.439 1.00 0.00 C ATOM 0 H ALA A 87 -15.046 -1.894 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.965 0.548 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -16.646 -0.236 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.463 -1.506 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.093 -1.557 -4.116 1.00 0.00 H new ATOM 1322 N GLU A 88 -17.757 0.285 -1.882 1.00 0.00 N ATOM 1323 CA GLU A 88 -18.864 1.050 -1.321 1.00 0.00 C ATOM 1324 C GLU A 88 -18.410 1.848 -0.102 1.00 0.00 C ATOM 1325 O GLU A 88 -18.754 3.021 0.050 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.013 0.116 -0.933 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.461 -0.797 -2.062 1.00 0.00 C ATOM 1328 CD GLU A 88 -20.998 -0.031 -3.255 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -20.183 0.403 -4.097 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.232 0.138 -3.346 1.00 0.00 O ATOM 0 H GLU A 88 -17.703 -0.681 -1.558 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.213 1.748 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.704 -0.494 -0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.862 0.715 -0.603 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.621 -1.414 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.232 -1.474 -1.693 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.638 1.204 0.766 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.136 1.853 1.973 1.00 0.00 C ATOM 1340 C LEU A 89 -16.481 3.190 1.641 1.00 0.00 C ATOM 1341 O LEU A 89 -16.680 4.182 2.342 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.134 0.943 2.686 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.329 1.587 3.815 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.776 0.522 4.749 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.202 2.440 3.249 1.00 0.00 C ATOM 0 H LEU A 89 -17.346 0.233 0.657 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.982 2.039 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.675 0.089 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.436 0.554 1.945 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.994 2.234 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.206 0.998 5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.600 -0.046 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.126 -0.150 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.640 2.890 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.537 1.815 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.621 3.226 2.621 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.699 3.209 0.565 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.018 4.424 0.138 1.00 0.00 C ATOM 1359 C VAL A 90 -15.949 5.324 -0.665 1.00 0.00 C ATOM 1360 O VAL A 90 -16.240 6.452 -0.264 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.774 4.101 -0.713 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.087 5.381 -1.163 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.814 3.214 0.064 1.00 0.00 C ATOM 0 H VAL A 90 -15.522 2.396 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.706 4.945 1.043 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.094 3.558 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.211 5.132 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.779 5.975 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.778 5.955 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.941 2.996 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.498 3.728 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.313 2.282 0.329 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.417 4.818 -1.802 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.318 5.576 -2.662 1.00 0.00 C ATOM 1375 C HIS A 91 -18.444 6.207 -1.848 1.00 0.00 C ATOM 1376 O HIS A 91 -18.582 7.430 -1.803 1.00 0.00 O ATOM 1377 CB HIS A 91 -17.903 4.672 -3.748 1.00 0.00 C ATOM 1378 CG HIS A 91 -18.396 5.418 -4.949 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -19.125 6.586 -4.862 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -18.259 5.160 -6.270 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -19.418 7.011 -6.079 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -18.903 6.164 -6.952 1.00 0.00 N ATOM 0 H HIS A 91 -16.187 3.887 -2.149 1.00 0.00 H new ATOM 0 HA HIS A 91 -16.744 6.373 -3.134 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.143 3.957 -4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -18.726 4.097 -3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -17.740 4.320 -6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -19.983 7.900 -6.319 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -18.972 6.242 -7.967 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.248 5.365 -1.207 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.363 5.840 -0.395 1.00 0.00 C ATOM 1393 C HIS A 92 -19.916 6.964 0.534 1.00 0.00 C ATOM 1394 O HIS A 92 -20.457 8.069 0.493 1.00 0.00 O ATOM 1395 CB HIS A 92 -20.952 4.690 0.422 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.380 4.907 0.818 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.394 4.034 0.485 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.961 5.904 1.526 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.537 4.487 0.968 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -24.302 5.619 1.605 1.00 0.00 N ATOM 0 H HIS A 92 -19.148 4.350 -1.234 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.130 6.229 -1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -20.880 3.769 -0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.352 4.549 1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -22.463 6.763 1.950 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.501 4.012 0.860 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -25.003 6.189 2.079 1.00 0.00 H new ATOM 1409 N HIS A 93 -18.926 6.674 1.374 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.408 7.661 2.313 1.00 0.00 C ATOM 1411 C HIS A 93 -18.223 9.015 1.634 1.00 0.00 C ATOM 1412 O HIS A 93 -18.444 10.062 2.243 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.079 7.186 2.902 1.00 0.00 C ATOM 1414 CG HIS A 93 -17.234 6.336 4.124 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -18.307 6.442 4.984 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.445 5.358 4.628 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -18.170 5.567 5.965 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -17.049 4.897 5.773 1.00 0.00 N ATOM 0 H HIS A 93 -18.468 5.764 1.423 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.134 7.776 3.118 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.536 6.622 2.144 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.470 8.055 3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.514 5.006 4.208 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.859 5.424 6.785 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -16.690 4.157 6.376 1.00 0.00 H new ATOM 1427 N SER A 94 -17.817 8.986 0.370 1.00 0.00 N ATOM 1428 CA SER A 94 -17.598 10.211 -0.392 1.00 0.00 C ATOM 1429 C SER A 94 -18.649 11.261 -0.045 1.00 0.00 C ATOM 1430 O SER A 94 -18.394 12.462 -0.124 1.00 0.00 O ATOM 1431 CB SER A 94 -17.630 9.916 -1.893 1.00 0.00 C ATOM 1432 OG SER A 94 -17.073 10.988 -2.635 1.00 0.00 O ATOM 0 H SER A 94 -17.633 8.128 -0.149 1.00 0.00 H new ATOM 0 HA SER A 94 -16.616 10.604 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.076 9.000 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.658 9.745 -2.211 1.00 0.00 H new ATOM 0 HG SER A 94 -17.104 10.775 -3.591 1.00 0.00 H new ATOM 1438 N THR A 95 -19.834 10.797 0.340 1.00 0.00 N ATOM 1439 CA THR A 95 -20.926 11.694 0.697 1.00 0.00 C ATOM 1440 C THR A 95 -20.842 12.105 2.163 1.00 0.00 C ATOM 1441 O THR A 95 -20.751 13.291 2.481 1.00 0.00 O ATOM 1442 CB THR A 95 -22.297 11.043 0.436 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.399 10.648 -0.936 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.426 12.004 0.779 1.00 0.00 C ATOM 0 H THR A 95 -20.062 9.805 0.412 1.00 0.00 H new ATOM 0 HA THR A 95 -20.827 12.578 0.068 1.00 0.00 H new ATOM 0 HB THR A 95 -22.384 10.163 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 95 -23.273 10.233 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.385 11.522 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.363 12.279 1.832 1.00 0.00 H new ATOM 0 HG23 THR A 95 -23.340 12.900 0.164 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.872 11.118 3.053 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.798 11.377 4.485 1.00 0.00 C ATOM 1454 C VAL A 96 -19.456 10.929 5.055 1.00 0.00 C ATOM 1455 O VAL A 96 -18.873 9.947 4.599 1.00 0.00 O ATOM 1456 CB VAL A 96 -21.931 10.661 5.244 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -21.764 9.151 5.154 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -21.968 11.115 6.696 1.00 0.00 C ATOM 0 H VAL A 96 -20.947 10.131 2.807 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.905 12.453 4.619 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.880 10.926 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -22.574 8.662 5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -21.790 8.844 4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -20.808 8.864 5.593 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -22.774 10.600 7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.017 10.880 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -22.139 12.191 6.737 1.00 0.00 H new ATOM 1468 N ALA A 97 -18.974 11.656 6.058 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.703 11.333 6.692 1.00 0.00 C ATOM 1470 C ALA A 97 -17.896 10.342 7.835 1.00 0.00 C ATOM 1471 O ALA A 97 -17.006 10.154 8.665 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.028 12.599 7.198 1.00 0.00 C ATOM 0 H ALA A 97 -19.445 12.472 6.448 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.061 10.866 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.079 12.342 7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.847 13.274 6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -17.674 13.090 7.926 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.064 9.711 7.874 1.00 0.00 N ATOM 1479 CA ASP A 98 -19.375 8.738 8.915 1.00 0.00 C ATOM 1480 C ASP A 98 -18.222 7.756 9.101 1.00 0.00 C ATOM 1481 O ASP A 98 -18.186 6.701 8.472 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.656 7.980 8.569 1.00 0.00 C ATOM 1483 CG ASP A 98 -21.306 7.353 9.787 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -22.552 7.301 9.835 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -20.566 6.911 10.692 1.00 0.00 O ATOM 0 H ASP A 98 -19.812 9.856 7.196 1.00 0.00 H new ATOM 0 HA ASP A 98 -19.524 9.278 9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.362 8.663 8.095 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -20.428 7.201 7.841 1.00 0.00 H new ATOM 1491 N GLY A 99 -17.284 8.113 9.973 1.00 0.00 N ATOM 1492 CA GLY A 99 -16.142 7.252 10.227 1.00 0.00 C ATOM 1493 C GLY A 99 -14.821 7.961 9.999 1.00 0.00 C ATOM 1494 O GLY A 99 -13.931 7.919 10.851 1.00 0.00 O ATOM 0 H GLY A 99 -17.294 8.982 10.508 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.185 6.890 11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.198 6.378 9.579 1.00 0.00 H new ATOM 1498 N LEU A 100 -14.690 8.612 8.849 1.00 0.00 N ATOM 1499 CA LEU A 100 -13.467 9.330 8.512 1.00 0.00 C ATOM 1500 C LEU A 100 -13.542 10.781 8.978 1.00 0.00 C ATOM 1501 O LEU A 100 -14.615 11.384 8.997 1.00 0.00 O ATOM 1502 CB LEU A 100 -13.222 9.281 7.002 1.00 0.00 C ATOM 1503 CG LEU A 100 -12.791 7.927 6.437 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -13.925 6.917 6.549 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -12.345 8.070 4.990 1.00 0.00 C ATOM 0 H LEU A 100 -15.416 8.657 8.134 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.637 8.844 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -14.136 9.589 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.457 10.016 6.754 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.947 7.563 7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.601 5.959 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -14.199 6.792 7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.788 7.276 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.042 7.096 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.170 8.456 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.503 8.760 4.935 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.393 11.337 9.353 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.327 12.718 9.816 1.00 0.00 C ATOM 1519 C VAL A 101 -13.124 13.642 8.901 1.00 0.00 C ATOM 1520 O VAL A 101 -13.809 14.555 9.366 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.873 13.217 9.889 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.043 12.311 10.786 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -10.268 13.303 8.496 1.00 0.00 C ATOM 0 H VAL A 101 -11.496 10.852 9.345 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.760 12.738 10.816 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.871 14.217 10.322 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.018 12.679 10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.466 12.307 11.790 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.049 11.297 10.385 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.240 13.658 8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.280 12.317 8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.850 13.997 7.889 1.00 0.00 H new ATOM 1533 N THR A 102 -13.032 13.401 7.598 1.00 0.00 N ATOM 1534 CA THR A 102 -13.744 14.211 6.618 1.00 0.00 C ATOM 1535 C THR A 102 -14.088 13.396 5.376 1.00 0.00 C ATOM 1536 O THR A 102 -13.351 12.488 4.993 1.00 0.00 O ATOM 1537 CB THR A 102 -12.915 15.440 6.198 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.698 16.295 5.357 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.653 15.016 5.462 1.00 0.00 C ATOM 0 H THR A 102 -12.471 12.650 7.196 1.00 0.00 H new ATOM 0 HA THR A 102 -14.665 14.547 7.095 1.00 0.00 H new ATOM 0 HB THR A 102 -12.627 15.981 7.099 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.165 17.075 5.096 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.084 15.901 5.176 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.045 14.389 6.114 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.924 14.454 4.568 1.00 0.00 H new ATOM 1547 N THR A 103 -15.213 13.728 4.750 1.00 0.00 N ATOM 1548 CA THR A 103 -15.656 13.027 3.551 1.00 0.00 C ATOM 1549 C THR A 103 -14.559 12.999 2.493 1.00 0.00 C ATOM 1550 O THR A 103 -13.919 14.017 2.222 1.00 0.00 O ATOM 1551 CB THR A 103 -16.915 13.679 2.952 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.646 15.042 2.611 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.076 13.615 3.933 1.00 0.00 C ATOM 0 H THR A 103 -15.834 14.478 5.054 1.00 0.00 H new ATOM 0 HA THR A 103 -15.893 12.006 3.851 1.00 0.00 H new ATOM 0 HB THR A 103 -17.190 13.128 2.052 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.452 15.449 2.229 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.955 14.082 3.488 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.298 12.574 4.167 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.809 14.144 4.848 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.347 11.832 1.896 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.327 11.673 0.866 1.00 0.00 C ATOM 1563 C LEU A 104 -13.493 12.720 -0.231 1.00 0.00 C ATOM 1564 O LEU A 104 -14.485 12.718 -0.960 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.398 10.270 0.262 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.223 9.108 1.241 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.462 7.779 0.541 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -11.836 9.142 1.866 1.00 0.00 C ATOM 0 H LEU A 104 -14.868 10.981 2.108 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.351 11.812 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.362 10.158 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.631 10.189 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.961 9.214 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.333 6.964 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.476 7.755 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.748 7.664 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.729 8.308 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.082 9.062 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.702 10.081 2.404 1.00 0.00 H new ATOM 1580 N HIS A 105 -12.515 13.613 -0.343 1.00 0.00 N ATOM 1581 CA HIS A 105 -12.551 14.665 -1.354 1.00 0.00 C ATOM 1582 C HIS A 105 -12.110 14.128 -2.712 1.00 0.00 C ATOM 1583 O HIS A 105 -12.908 14.035 -3.644 1.00 0.00 O ATOM 1584 CB HIS A 105 -11.656 15.832 -0.938 1.00 0.00 C ATOM 1585 CG HIS A 105 -12.256 16.694 0.131 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -11.555 17.112 1.242 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -13.497 17.220 0.252 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -12.339 17.855 2.002 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -13.524 17.936 1.423 1.00 0.00 N ATOM 0 H HIS A 105 -11.688 13.630 0.253 1.00 0.00 H new ATOM 0 HA HIS A 105 -13.579 15.018 -1.439 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -10.702 15.440 -0.585 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -11.444 16.447 -1.813 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -14.314 17.099 -0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.059 18.317 2.937 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -14.328 18.447 1.787 1.00 0.00 H new ATOM 1598 N TYR A 106 -10.832 13.777 -2.817 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.284 13.254 -4.061 1.00 0.00 C ATOM 1600 C TYR A 106 -9.346 12.081 -3.792 1.00 0.00 C ATOM 1601 O TYR A 106 -8.502 12.121 -2.898 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.537 14.356 -4.818 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.327 15.639 -4.951 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.450 15.705 -5.765 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -9.946 16.785 -4.264 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -12.173 16.875 -5.890 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.663 17.960 -4.383 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.775 18.000 -5.197 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.493 19.169 -5.319 1.00 0.00 O ATOM 0 H TYR A 106 -10.158 13.846 -2.055 1.00 0.00 H new ATOM 0 HA TYR A 106 -11.113 12.900 -4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.600 14.568 -4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.280 13.992 -5.813 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.763 14.827 -6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.075 16.757 -3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.045 16.909 -6.526 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.354 18.842 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.081 19.865 -4.766 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.494 11.012 -4.588 1.00 0.00 N ATOM 1620 CA PRO A 107 -8.669 9.808 -4.458 1.00 0.00 C ATOM 1621 C PRO A 107 -7.225 10.045 -4.884 1.00 0.00 C ATOM 1622 O PRO A 107 -6.850 11.160 -5.245 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.347 8.810 -5.401 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.047 9.655 -6.407 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.479 10.897 -5.677 1.00 0.00 C ATOM 0 HA PRO A 107 -8.608 9.466 -3.425 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -8.617 8.154 -5.875 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.048 8.171 -4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.386 9.901 -7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.905 9.131 -6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.463 11.772 -6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.495 10.804 -5.292 1.00 0.00 H new ATOM 1633 N ALA A 108 -6.417 8.991 -4.837 1.00 0.00 N ATOM 1634 CA ALA A 108 -5.014 9.085 -5.219 1.00 0.00 C ATOM 1635 C ALA A 108 -4.741 8.303 -6.500 1.00 0.00 C ATOM 1636 O ALA A 108 -5.220 7.184 -6.686 1.00 0.00 O ATOM 1637 CB ALA A 108 -4.124 8.582 -4.093 1.00 0.00 C ATOM 0 H ALA A 108 -6.711 8.061 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.784 10.134 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.079 8.659 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.290 9.185 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.364 7.541 -3.877 1.00 0.00 H new