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+ 149:sc= -0.571 (180deg=-1.76!) USER MOD Single : A 16 HIS : no HD1:sc= -2.01 K(o=-2,f=-3.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.0022) 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 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot -110: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 X(o=0,f=-0.021) USER MOD Single : A 53 SER OG : rot -14:sc= 0.77 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=0.000442 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 65 TYR OH : rot -130:sc= -0.456 USER MOD Single : A 68 ASN : amide:sc= -0.859! C(o=-0.86!,f=-8.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 70 THR OG1 : rot 112:sc= -0.762! 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= -0.598 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 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.33) USER MOD Single : A 93 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-0.97) USER MOD Single : A 94 SER OG : rot 27:sc= 0.0301 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 33:sc= 0.0948 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -7.483 -1.110 -9.557 1.00 0.00 N ATOM 171 CA LYS A 15 -8.586 -0.726 -10.430 1.00 0.00 C ATOM 172 C LYS A 15 -9.203 0.593 -9.978 1.00 0.00 C ATOM 173 O LYS A 15 -9.515 1.458 -10.797 1.00 0.00 O ATOM 174 CB LYS A 15 -9.655 -1.820 -10.447 1.00 0.00 C ATOM 175 CG LYS A 15 -9.173 -3.133 -11.043 1.00 0.00 C ATOM 176 CD LYS A 15 -10.237 -4.213 -10.946 1.00 0.00 C ATOM 177 CE LYS A 15 -10.125 -4.990 -9.645 1.00 0.00 C ATOM 178 NZ LYS A 15 -10.606 -4.196 -8.480 1.00 0.00 N ATOM 0 HA LYS A 15 -8.190 -0.597 -11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.998 -1.997 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.515 -1.467 -11.015 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.901 -2.981 -12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.272 -3.461 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.225 -3.759 -11.016 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.140 -4.897 -11.789 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.704 -5.910 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.087 -5.279 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.008 -4.836 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.810 -3.671 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.336 -3.526 -8.794 1.00 0.00 H new ATOM 192 N HIS A 16 -9.372 0.745 -8.667 1.00 0.00 N ATOM 193 CA HIS A 16 -9.951 1.961 -8.107 1.00 0.00 C ATOM 194 C HIS A 16 -8.927 3.092 -8.092 1.00 0.00 C ATOM 195 O HIS A 16 -7.733 2.858 -7.899 1.00 0.00 O ATOM 196 CB HIS A 16 -10.461 1.702 -6.690 1.00 0.00 C ATOM 197 CG HIS A 16 -11.381 0.523 -6.589 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.752 0.627 -6.703 1.00 0.00 N ATOM 199 CD2 HIS A 16 -11.120 -0.789 -6.389 1.00 0.00 C ATOM 200 CE1 HIS A 16 -13.294 -0.571 -6.574 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.324 -1.448 -6.383 1.00 0.00 N ATOM 0 H HIS A 16 -9.116 0.042 -7.974 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.788 2.260 -8.738 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.609 1.545 -6.029 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.982 2.590 -6.332 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.145 -1.235 -6.258 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.350 -0.795 -6.617 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.450 -2.452 -6.252 1.00 0.00 H new ATOM 210 N SER A 17 -9.401 4.316 -8.298 1.00 0.00 N ATOM 211 CA SER A 17 -8.526 5.483 -8.315 1.00 0.00 C ATOM 212 C SER A 17 -7.878 5.694 -6.949 1.00 0.00 C ATOM 213 O SER A 17 -6.663 5.862 -6.846 1.00 0.00 O ATOM 214 CB SER A 17 -9.313 6.731 -8.717 1.00 0.00 C ATOM 215 OG SER A 17 -9.679 6.684 -10.085 1.00 0.00 O ATOM 0 H SER A 17 -10.387 4.526 -8.456 1.00 0.00 H new ATOM 0 HA SER A 17 -7.739 5.307 -9.049 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.208 6.815 -8.100 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.712 7.620 -8.528 1.00 0.00 H new ATOM 0 HG SER A 17 -10.183 7.492 -10.317 1.00 0.00 H new ATOM 221 N TRP A 18 -8.699 5.684 -5.905 1.00 0.00 N ATOM 222 CA TRP A 18 -8.208 5.875 -4.544 1.00 0.00 C ATOM 223 C TRP A 18 -7.208 4.786 -4.170 1.00 0.00 C ATOM 224 O TRP A 18 -6.255 5.034 -3.432 1.00 0.00 O ATOM 225 CB TRP A 18 -9.373 5.878 -3.555 1.00 0.00 C ATOM 226 CG TRP A 18 -10.511 4.997 -3.975 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.526 5.321 -4.828 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.750 3.649 -3.558 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.383 4.256 -4.967 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.929 3.218 -4.199 1.00 0.00 C ATOM 231 CE3 TRP A 18 -10.083 2.764 -2.706 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.451 1.941 -4.012 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.604 1.497 -2.523 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.778 1.094 -3.174 1.00 0.00 C ATOM 0 H TRP A 18 -9.707 5.546 -5.974 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.701 6.839 -4.498 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.013 5.553 -2.579 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.737 6.898 -3.437 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.639 6.275 -5.322 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.221 4.241 -5.548 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.177 3.065 -2.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.356 1.629 -4.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.097 0.805 -1.867 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.159 0.096 -3.011 1.00 0.00 H new ATOM 245 N TYR A 19 -7.434 3.581 -4.681 1.00 0.00 N ATOM 246 CA TYR A 19 -6.555 2.453 -4.397 1.00 0.00 C ATOM 247 C TYR A 19 -5.188 2.652 -5.045 1.00 0.00 C ATOM 248 O TYR A 19 -5.076 2.743 -6.268 1.00 0.00 O ATOM 249 CB TYR A 19 -7.183 1.151 -4.893 1.00 0.00 C ATOM 250 CG TYR A 19 -6.426 -0.087 -4.471 1.00 0.00 C ATOM 251 CD1 TYR A 19 -6.597 -0.632 -3.204 1.00 0.00 C ATOM 252 CD2 TYR A 19 -5.539 -0.714 -5.338 1.00 0.00 C ATOM 253 CE1 TYR A 19 -5.907 -1.763 -2.814 1.00 0.00 C ATOM 254 CE2 TYR A 19 -4.845 -1.846 -4.956 1.00 0.00 C ATOM 255 CZ TYR A 19 -5.032 -2.367 -3.693 1.00 0.00 C ATOM 256 OH TYR A 19 -4.343 -3.494 -3.308 1.00 0.00 O ATOM 0 H TYR A 19 -8.219 3.360 -5.294 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.420 2.393 -3.317 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.205 1.086 -4.520 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.241 1.177 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.281 -0.163 -2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.390 -0.309 -6.328 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.052 -2.173 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.160 -2.320 -5.643 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.770 -3.795 -4.044 1.00 0.00 H new ATOM 266 N HIS A 20 -4.151 2.717 -4.217 1.00 0.00 N ATOM 267 CA HIS A 20 -2.790 2.903 -4.709 1.00 0.00 C ATOM 268 C HIS A 20 -2.065 1.567 -4.818 1.00 0.00 C ATOM 269 O HIS A 20 -1.458 1.260 -5.843 1.00 0.00 O ATOM 270 CB HIS A 20 -2.015 3.843 -3.784 1.00 0.00 C ATOM 271 CG HIS A 20 -2.127 5.287 -4.168 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.031 6.108 -4.332 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.211 6.055 -4.421 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.438 7.320 -4.668 1.00 0.00 C ATOM 275 NE2 HIS A 20 -2.758 7.314 -4.729 1.00 0.00 N ATOM 0 H HIS A 20 -4.226 2.644 -3.202 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.847 3.348 -5.703 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.379 3.717 -2.764 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.964 3.556 -3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.242 5.737 -4.387 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.800 8.170 -4.860 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.345 8.114 -4.966 1.00 0.00 H new ATOM 284 N GLY A 21 -2.131 0.772 -3.754 1.00 0.00 N ATOM 285 CA GLY A 21 -1.476 -0.522 -3.751 1.00 0.00 C ATOM 286 C GLY A 21 -0.663 -0.757 -2.493 1.00 0.00 C ATOM 287 O GLY A 21 -0.955 -0.212 -1.428 1.00 0.00 O ATOM 0 H GLY A 21 -2.627 1.002 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.227 -1.306 -3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.824 -0.598 -4.621 1.00 0.00 H new ATOM 291 N PRO A 22 0.383 -1.591 -2.606 1.00 0.00 N ATOM 292 CA PRO A 22 1.260 -1.916 -1.478 1.00 0.00 C ATOM 293 C PRO A 22 2.123 -0.734 -1.054 1.00 0.00 C ATOM 294 O PRO A 22 3.230 -0.547 -1.559 1.00 0.00 O ATOM 295 CB PRO A 22 2.135 -3.048 -2.026 1.00 0.00 C ATOM 296 CG PRO A 22 2.138 -2.843 -3.502 1.00 0.00 C ATOM 297 CD PRO A 22 0.789 -2.276 -3.845 1.00 0.00 C ATOM 0 HA PRO A 22 0.694 -2.188 -0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.145 -3.001 -1.618 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.730 -4.025 -1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.935 -2.161 -3.799 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.311 -3.783 -4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.845 -1.585 -4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.083 -3.059 -4.122 1.00 0.00 H new ATOM 305 N VAL A 23 1.609 0.064 -0.122 1.00 0.00 N ATOM 306 CA VAL A 23 2.333 1.228 0.372 1.00 0.00 C ATOM 307 C VAL A 23 2.530 1.153 1.882 1.00 0.00 C ATOM 308 O VAL A 23 1.607 0.817 2.622 1.00 0.00 O ATOM 309 CB VAL A 23 1.597 2.536 0.026 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.341 3.734 0.595 1.00 0.00 C ATOM 311 CG2 VAL A 23 1.428 2.668 -1.479 1.00 0.00 C ATOM 0 H VAL A 23 0.693 -0.076 0.305 1.00 0.00 H new ATOM 0 HA VAL A 23 3.306 1.227 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 23 0.606 2.507 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.806 4.649 0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.405 3.641 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.346 3.772 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.906 3.598 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.408 2.676 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.848 1.825 -1.855 1.00 0.00 H new ATOM 321 N SER A 24 3.742 1.467 2.331 1.00 0.00 N ATOM 322 CA SER A 24 4.062 1.432 3.753 1.00 0.00 C ATOM 323 C SER A 24 3.705 2.755 4.423 1.00 0.00 C ATOM 324 O SER A 24 3.964 3.829 3.881 1.00 0.00 O ATOM 325 CB SER A 24 5.548 1.129 3.956 1.00 0.00 C ATOM 326 OG SER A 24 5.851 0.955 5.329 1.00 0.00 O ATOM 0 H SER A 24 4.517 1.748 1.731 1.00 0.00 H new ATOM 0 HA SER A 24 3.471 0.640 4.214 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.817 0.228 3.404 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.147 1.943 3.549 1.00 0.00 H new ATOM 0 HG SER A 24 6.806 0.761 5.431 1.00 0.00 H new ATOM 332 N ARG A 25 3.107 2.669 5.608 1.00 0.00 N ATOM 333 CA ARG A 25 2.713 3.858 6.353 1.00 0.00 C ATOM 334 C ARG A 25 3.696 5.001 6.114 1.00 0.00 C ATOM 335 O ARG A 25 3.307 6.167 6.061 1.00 0.00 O ATOM 336 CB ARG A 25 2.632 3.546 7.848 1.00 0.00 C ATOM 337 CG ARG A 25 3.713 2.593 8.331 1.00 0.00 C ATOM 338 CD ARG A 25 4.899 3.346 8.914 1.00 0.00 C ATOM 339 NE ARG A 25 4.513 4.175 10.054 1.00 0.00 N ATOM 340 CZ ARG A 25 5.362 4.566 10.999 1.00 0.00 C ATOM 341 NH1 ARG A 25 6.637 4.206 10.938 1.00 0.00 N ATOM 342 NH2 ARG A 25 4.936 5.319 12.004 1.00 0.00 N ATOM 0 H ARG A 25 2.885 1.788 6.072 1.00 0.00 H new ATOM 0 HA ARG A 25 1.730 4.167 5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.704 4.478 8.409 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.655 3.115 8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.299 1.924 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.048 1.970 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.663 2.634 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.344 3.974 8.143 1.00 0.00 H new ATOM 0 HE ARG A 25 3.539 4.470 10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.967 3.628 10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.287 4.507 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.956 5.598 12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.588 5.619 12.729 1.00 0.00 H new ATOM 356 N SER A 26 4.972 4.657 5.971 1.00 0.00 N ATOM 357 CA SER A 26 6.011 5.653 5.740 1.00 0.00 C ATOM 358 C SER A 26 5.950 6.182 4.312 1.00 0.00 C ATOM 359 O SER A 26 5.923 7.392 4.086 1.00 0.00 O ATOM 360 CB SER A 26 7.392 5.053 6.016 1.00 0.00 C ATOM 361 OG SER A 26 7.749 5.205 7.380 1.00 0.00 O ATOM 0 H SER A 26 5.311 3.696 6.011 1.00 0.00 H new ATOM 0 HA SER A 26 5.840 6.485 6.423 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.392 3.995 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.136 5.539 5.385 1.00 0.00 H new ATOM 0 HG SER A 26 8.634 4.813 7.532 1.00 0.00 H new ATOM 367 N ALA A 27 5.930 5.267 3.349 1.00 0.00 N ATOM 368 CA ALA A 27 5.870 5.640 1.941 1.00 0.00 C ATOM 369 C ALA A 27 4.611 6.444 1.637 1.00 0.00 C ATOM 370 O ALA A 27 4.664 7.463 0.951 1.00 0.00 O ATOM 371 CB ALA A 27 5.930 4.399 1.062 1.00 0.00 C ATOM 0 H ALA A 27 5.954 4.261 3.518 1.00 0.00 H new ATOM 0 HA ALA A 27 6.733 6.269 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.884 4.693 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.862 3.866 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.087 3.748 1.293 1.00 0.00 H new ATOM 377 N ALA A 28 3.478 5.977 2.155 1.00 0.00 N ATOM 378 CA ALA A 28 2.205 6.654 1.941 1.00 0.00 C ATOM 379 C ALA A 28 2.314 8.141 2.258 1.00 0.00 C ATOM 380 O ALA A 28 2.269 8.981 1.361 1.00 0.00 O ATOM 381 CB ALA A 28 1.117 6.008 2.786 1.00 0.00 C ATOM 0 H ALA A 28 3.417 5.133 2.725 1.00 0.00 H new ATOM 0 HA ALA A 28 1.939 6.554 0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.171 6.523 2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.014 4.959 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.385 6.078 3.840 1.00 0.00 H new ATOM 387 N GLU A 29 2.455 8.459 3.541 1.00 0.00 N ATOM 388 CA GLU A 29 2.568 9.846 3.977 1.00 0.00 C ATOM 389 C GLU A 29 3.388 10.663 2.983 1.00 0.00 C ATOM 390 O GLU A 29 2.990 11.758 2.585 1.00 0.00 O ATOM 391 CB GLU A 29 3.209 9.919 5.365 1.00 0.00 C ATOM 392 CG GLU A 29 2.206 9.841 6.503 1.00 0.00 C ATOM 393 CD GLU A 29 2.680 10.563 7.749 1.00 0.00 C ATOM 394 OE1 GLU A 29 2.213 10.210 8.853 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.519 11.480 7.621 1.00 0.00 O ATOM 0 H GLU A 29 2.494 7.775 4.297 1.00 0.00 H new ATOM 0 HA GLU A 29 1.564 10.267 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.927 9.105 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.769 10.850 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.259 10.270 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.016 8.795 6.744 1.00 0.00 H new ATOM 403 N TYR A 30 4.535 10.122 2.586 1.00 0.00 N ATOM 404 CA TYR A 30 5.414 10.800 1.640 1.00 0.00 C ATOM 405 C TYR A 30 4.709 11.023 0.305 1.00 0.00 C ATOM 406 O TYR A 30 4.725 12.126 -0.243 1.00 0.00 O ATOM 407 CB TYR A 30 6.692 9.988 1.427 1.00 0.00 C ATOM 408 CG TYR A 30 7.358 10.247 0.094 1.00 0.00 C ATOM 409 CD1 TYR A 30 8.120 11.392 -0.113 1.00 0.00 C ATOM 410 CD2 TYR A 30 7.226 9.349 -0.958 1.00 0.00 C ATOM 411 CE1 TYR A 30 8.730 11.632 -1.329 1.00 0.00 C ATOM 412 CE2 TYR A 30 7.834 9.582 -2.176 1.00 0.00 C ATOM 413 CZ TYR A 30 8.584 10.725 -2.357 1.00 0.00 C ATOM 414 OH TYR A 30 9.192 10.961 -3.569 1.00 0.00 O ATOM 0 H TYR A 30 4.878 9.216 2.905 1.00 0.00 H new ATOM 0 HA TYR A 30 5.676 11.772 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.396 10.218 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.456 8.927 1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.237 12.105 0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.638 8.454 -0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.319 12.526 -1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.723 8.873 -2.983 1.00 0.00 H new ATOM 0 HH TYR A 30 8.991 10.225 -4.185 1.00 0.00 H new ATOM 424 N LEU A 31 4.091 9.968 -0.213 1.00 0.00 N ATOM 425 CA LEU A 31 3.379 10.045 -1.484 1.00 0.00 C ATOM 426 C LEU A 31 2.252 11.070 -1.415 1.00 0.00 C ATOM 427 O LEU A 31 2.088 11.892 -2.318 1.00 0.00 O ATOM 428 CB LEU A 31 2.815 8.674 -1.860 1.00 0.00 C ATOM 429 CG LEU A 31 3.843 7.590 -2.182 1.00 0.00 C ATOM 430 CD1 LEU A 31 3.163 6.238 -2.342 1.00 0.00 C ATOM 431 CD2 LEU A 31 4.622 7.950 -3.439 1.00 0.00 C ATOM 0 H LEU A 31 4.068 9.048 0.228 1.00 0.00 H new ATOM 0 HA LEU A 31 4.087 10.361 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.191 8.322 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.163 8.797 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 31 4.545 7.524 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.911 5.479 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.652 5.976 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.438 6.289 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.349 7.167 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.934 8.045 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.142 8.896 -3.287 1.00 0.00 H new ATOM 443 N LEU A 32 1.478 11.019 -0.336 1.00 0.00 N ATOM 444 CA LEU A 32 0.366 11.944 -0.148 1.00 0.00 C ATOM 445 C LEU A 32 0.854 13.390 -0.161 1.00 0.00 C ATOM 446 O LEU A 32 0.231 14.260 -0.771 1.00 0.00 O ATOM 447 CB LEU A 32 -0.351 11.648 1.170 1.00 0.00 C ATOM 448 CG LEU A 32 -1.466 10.603 1.109 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.594 9.877 2.438 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.787 11.255 0.726 1.00 0.00 C ATOM 0 H LEU A 32 1.600 10.347 0.422 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.333 11.808 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.390 11.317 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.774 12.579 1.547 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.208 9.871 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.393 9.138 2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.654 9.376 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.827 10.595 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.569 10.497 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.049 12.009 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.690 11.726 -0.252 1.00 0.00 H new ATOM 462 N SER A 33 1.971 13.639 0.514 1.00 0.00 N ATOM 463 CA SER A 33 2.541 14.979 0.582 1.00 0.00 C ATOM 464 C SER A 33 2.498 15.657 -0.785 1.00 0.00 C ATOM 465 O SER A 33 2.126 16.825 -0.899 1.00 0.00 O ATOM 466 CB SER A 33 3.983 14.918 1.090 1.00 0.00 C ATOM 467 OG SER A 33 4.629 16.170 0.940 1.00 0.00 O ATOM 0 H SER A 33 2.500 12.930 1.022 1.00 0.00 H new ATOM 0 HA SER A 33 1.944 15.567 1.279 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.990 14.625 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.533 14.153 0.542 1.00 0.00 H new ATOM 0 HG SER A 33 5.548 16.106 1.273 1.00 0.00 H new ATOM 473 N SER A 34 2.882 14.914 -1.818 1.00 0.00 N ATOM 474 CA SER A 34 2.892 15.444 -3.178 1.00 0.00 C ATOM 475 C SER A 34 1.470 15.655 -3.687 1.00 0.00 C ATOM 476 O SER A 34 1.140 16.717 -4.219 1.00 0.00 O ATOM 477 CB SER A 34 3.646 14.495 -4.112 1.00 0.00 C ATOM 478 OG SER A 34 5.042 14.540 -3.865 1.00 0.00 O ATOM 0 H SER A 34 3.190 13.945 -1.740 1.00 0.00 H new ATOM 0 HA SER A 34 3.401 16.408 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.281 13.477 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.448 14.766 -5.149 1.00 0.00 H new ATOM 0 HG SER A 34 5.502 13.924 -4.473 1.00 0.00 H new ATOM 484 N LEU A 35 0.632 14.636 -3.525 1.00 0.00 N ATOM 485 CA LEU A 35 -0.755 14.709 -3.969 1.00 0.00 C ATOM 486 C LEU A 35 -1.387 16.037 -3.566 1.00 0.00 C ATOM 487 O LEU A 35 -0.920 16.702 -2.641 1.00 0.00 O ATOM 488 CB LEU A 35 -1.560 13.547 -3.382 1.00 0.00 C ATOM 489 CG LEU A 35 -0.954 12.155 -3.555 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.845 11.101 -2.918 1.00 0.00 C ATOM 491 CD2 LEU A 35 -0.734 11.849 -5.029 1.00 0.00 C ATOM 0 H LEU A 35 0.889 13.750 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.767 14.639 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.700 13.730 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.550 13.550 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 35 0.013 12.136 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.397 10.117 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.952 11.310 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.827 11.120 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.302 10.854 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.688 11.887 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.054 12.586 -5.456 1.00 0.00 H new ATOM 503 N ILE A 36 -2.453 16.414 -4.264 1.00 0.00 N ATOM 504 CA ILE A 36 -3.151 17.661 -3.976 1.00 0.00 C ATOM 505 C ILE A 36 -3.371 17.836 -2.477 1.00 0.00 C ATOM 506 O ILE A 36 -3.159 16.909 -1.696 1.00 0.00 O ATOM 507 CB ILE A 36 -4.514 17.721 -4.693 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.415 16.579 -4.217 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.323 17.660 -6.201 1.00 0.00 C ATOM 510 CD1 ILE A 36 -6.886 16.828 -4.466 1.00 0.00 C ATOM 0 H ILE A 36 -2.852 15.874 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.518 18.469 -4.344 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.997 18.667 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.120 15.659 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.257 16.422 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.295 17.703 -6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.714 18.504 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.823 16.729 -6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.465 15.979 -4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.197 17.730 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.058 16.955 -5.535 1.00 0.00 H new ATOM 522 N ASN A 37 -3.798 19.030 -2.083 1.00 0.00 N ATOM 523 CA ASN A 37 -4.047 19.326 -0.676 1.00 0.00 C ATOM 524 C ASN A 37 -5.424 18.827 -0.250 1.00 0.00 C ATOM 525 O ASN A 37 -6.161 19.524 0.445 1.00 0.00 O ATOM 526 CB ASN A 37 -3.936 20.831 -0.422 1.00 0.00 C ATOM 527 CG ASN A 37 -2.555 21.370 -0.738 1.00 0.00 C ATOM 528 OD1 ASN A 37 -2.332 21.960 -1.797 1.00 0.00 O ATOM 529 ND2 ASN A 37 -1.618 21.173 0.183 1.00 0.00 N ATOM 0 H ASN A 37 -3.979 19.809 -2.717 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.293 18.808 -0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.675 21.355 -1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.174 21.039 0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.670 21.516 0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.847 20.679 1.046 1.00 0.00 H new ATOM 536 N GLY A 38 -5.764 17.613 -0.674 1.00 0.00 N ATOM 537 CA GLY A 38 -7.052 17.041 -0.326 1.00 0.00 C ATOM 538 C GLY A 38 -7.350 15.772 -1.100 1.00 0.00 C ATOM 539 O GLY A 38 -8.269 15.737 -1.918 1.00 0.00 O ATOM 0 H GLY A 38 -5.171 17.016 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.074 16.825 0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.836 17.773 -0.519 1.00 0.00 H new ATOM 543 N SER A 39 -6.570 14.726 -0.844 1.00 0.00 N ATOM 544 CA SER A 39 -6.751 13.451 -1.526 1.00 0.00 C ATOM 545 C SER A 39 -6.763 12.298 -0.529 1.00 0.00 C ATOM 546 O SER A 39 -6.103 12.353 0.510 1.00 0.00 O ATOM 547 CB SER A 39 -5.640 13.239 -2.557 1.00 0.00 C ATOM 548 OG SER A 39 -4.361 13.391 -1.968 1.00 0.00 O ATOM 0 H SER A 39 -5.806 14.737 -0.168 1.00 0.00 H new ATOM 0 HA SER A 39 -7.713 13.474 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.728 12.243 -2.991 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.755 13.953 -3.372 1.00 0.00 H new ATOM 0 HG SER A 39 -3.943 14.212 -2.301 1.00 0.00 H new ATOM 554 N PHE A 40 -7.516 11.252 -0.852 1.00 0.00 N ATOM 555 CA PHE A 40 -7.615 10.083 0.016 1.00 0.00 C ATOM 556 C PHE A 40 -7.170 8.822 -0.717 1.00 0.00 C ATOM 557 O PHE A 40 -7.634 8.535 -1.821 1.00 0.00 O ATOM 558 CB PHE A 40 -9.052 9.915 0.519 1.00 0.00 C ATOM 559 CG PHE A 40 -9.929 9.143 -0.423 1.00 0.00 C ATOM 560 CD1 PHE A 40 -9.952 7.758 -0.392 1.00 0.00 C ATOM 561 CD2 PHE A 40 -10.731 9.802 -1.343 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.759 7.043 -1.257 1.00 0.00 C ATOM 563 CE2 PHE A 40 -11.540 9.093 -2.210 1.00 0.00 C ATOM 564 CZ PHE A 40 -11.553 7.713 -2.168 1.00 0.00 C ATOM 0 H PHE A 40 -8.067 11.189 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.954 10.238 0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -9.034 9.408 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.488 10.900 0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.331 7.230 0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.723 10.881 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -10.769 5.964 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.162 9.618 -2.920 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.183 7.158 -2.847 1.00 0.00 H new ATOM 574 N LEU A 41 -6.265 8.073 -0.096 1.00 0.00 N ATOM 575 CA LEU A 41 -5.756 6.842 -0.689 1.00 0.00 C ATOM 576 C LEU A 41 -5.912 5.667 0.273 1.00 0.00 C ATOM 577 O LEU A 41 -6.005 5.854 1.487 1.00 0.00 O ATOM 578 CB LEU A 41 -4.284 7.009 -1.072 1.00 0.00 C ATOM 579 CG LEU A 41 -3.272 6.838 0.061 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.926 5.369 0.252 1.00 0.00 C ATOM 581 CD2 LEU A 41 -2.016 7.650 -0.218 1.00 0.00 C ATOM 0 H LEU A 41 -5.869 8.297 0.817 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.339 6.632 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.049 6.287 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.152 8.001 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.723 7.207 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.204 5.268 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.830 4.811 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.496 4.974 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.307 7.516 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.564 7.312 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.276 8.705 -0.303 1.00 0.00 H new ATOM 593 N VAL A 42 -5.941 4.458 -0.277 1.00 0.00 N ATOM 594 CA VAL A 42 -6.084 3.253 0.533 1.00 0.00 C ATOM 595 C VAL A 42 -4.913 2.303 0.314 1.00 0.00 C ATOM 596 O VAL A 42 -4.816 1.649 -0.726 1.00 0.00 O ATOM 597 CB VAL A 42 -7.397 2.515 0.213 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.517 1.251 1.051 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.591 3.430 0.439 1.00 0.00 C ATOM 0 H VAL A 42 -5.867 4.286 -1.280 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.100 3.571 1.575 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.384 2.226 -0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.451 0.743 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.678 0.590 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.508 1.514 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.510 2.892 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.611 3.752 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.509 4.303 -0.209 1.00 0.00 H new ATOM 609 N ARG A 43 -4.024 2.230 1.299 1.00 0.00 N ATOM 610 CA ARG A 43 -2.858 1.360 1.215 1.00 0.00 C ATOM 611 C ARG A 43 -3.135 0.013 1.877 1.00 0.00 C ATOM 612 O ARG A 43 -4.226 -0.219 2.398 1.00 0.00 O ATOM 613 CB ARG A 43 -1.649 2.026 1.874 1.00 0.00 C ATOM 614 CG ARG A 43 -1.852 2.330 3.350 1.00 0.00 C ATOM 615 CD ARG A 43 -0.633 3.017 3.948 1.00 0.00 C ATOM 616 NE ARG A 43 -0.590 2.883 5.402 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.104 1.815 6.026 1.00 0.00 C ATOM 618 NH1 ARG A 43 0.376 0.795 5.327 1.00 0.00 N ATOM 619 NH2 ARG A 43 -0.097 1.767 7.352 1.00 0.00 N ATOM 0 H ARG A 43 -4.090 2.764 2.166 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.639 1.189 0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.781 1.377 1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.424 2.954 1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.728 2.966 3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.051 1.404 3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.272 2.589 3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.645 4.074 3.681 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.952 3.650 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.373 0.829 4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.748 -0.023 5.809 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.465 2.550 7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.276 0.947 7.831 1.00 0.00 H new ATOM 633 N GLU A 44 -2.141 -0.870 1.851 1.00 0.00 N ATOM 634 CA GLU A 44 -2.279 -2.192 2.448 1.00 0.00 C ATOM 635 C GLU A 44 -0.994 -2.606 3.159 1.00 0.00 C ATOM 636 O GLU A 44 0.062 -2.008 2.951 1.00 0.00 O ATOM 637 CB GLU A 44 -2.638 -3.225 1.378 1.00 0.00 C ATOM 638 CG GLU A 44 -3.371 -4.439 1.924 1.00 0.00 C ATOM 639 CD GLU A 44 -2.426 -5.546 2.350 1.00 0.00 C ATOM 640 OE1 GLU A 44 -1.326 -5.645 1.767 1.00 0.00 O ATOM 641 OE2 GLU A 44 -2.787 -6.312 3.267 1.00 0.00 O ATOM 0 H GLU A 44 -1.232 -0.693 1.423 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.082 -2.147 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.258 -2.748 0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.725 -3.555 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.981 -4.138 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.052 -4.820 1.163 1.00 0.00 H new ATOM 649 N SER A 45 -1.092 -3.632 3.998 1.00 0.00 N ATOM 650 CA SER A 45 0.061 -4.124 4.743 1.00 0.00 C ATOM 651 C SER A 45 0.523 -5.473 4.201 1.00 0.00 C ATOM 652 O SER A 45 -0.290 -6.353 3.923 1.00 0.00 O ATOM 653 CB SER A 45 -0.281 -4.248 6.229 1.00 0.00 C ATOM 654 OG SER A 45 -0.068 -3.021 6.905 1.00 0.00 O ATOM 0 H SER A 45 -1.958 -4.139 4.179 1.00 0.00 H new ATOM 0 HA SER A 45 0.873 -3.407 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.321 -4.553 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.331 -5.028 6.682 1.00 0.00 H new ATOM 0 HG SER A 45 -0.295 -3.126 7.852 1.00 0.00 H new ATOM 660 N GLU A 46 1.834 -5.626 4.055 1.00 0.00 N ATOM 661 CA GLU A 46 2.406 -6.869 3.545 1.00 0.00 C ATOM 662 C GLU A 46 2.528 -7.907 4.656 1.00 0.00 C ATOM 663 O GLU A 46 1.912 -8.971 4.596 1.00 0.00 O ATOM 664 CB GLU A 46 3.778 -6.607 2.921 1.00 0.00 C ATOM 665 CG GLU A 46 3.717 -6.199 1.459 1.00 0.00 C ATOM 666 CD GLU A 46 5.071 -5.800 0.907 1.00 0.00 C ATOM 667 OE1 GLU A 46 5.278 -4.592 0.665 1.00 0.00 O ATOM 668 OE2 GLU A 46 5.921 -6.694 0.716 1.00 0.00 O ATOM 0 H GLU A 46 2.521 -4.907 4.282 1.00 0.00 H new ATOM 0 HA GLU A 46 1.737 -7.260 2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.281 -5.823 3.487 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.387 -7.507 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.319 -7.026 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.023 -5.366 1.347 1.00 0.00 H new ATOM 676 N SER A 47 3.328 -7.589 5.668 1.00 0.00 N ATOM 677 CA SER A 47 3.536 -8.495 6.792 1.00 0.00 C ATOM 678 C SER A 47 2.261 -9.274 7.106 1.00 0.00 C ATOM 679 O SER A 47 2.224 -10.499 6.993 1.00 0.00 O ATOM 680 CB SER A 47 3.987 -7.715 8.028 1.00 0.00 C ATOM 681 OG SER A 47 4.553 -8.579 8.998 1.00 0.00 O ATOM 0 H SER A 47 3.843 -6.711 5.733 1.00 0.00 H new ATOM 0 HA SER A 47 4.316 -9.204 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.718 -6.960 7.739 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.136 -7.187 8.459 1.00 0.00 H new ATOM 0 HG SER A 47 4.835 -8.056 9.777 1.00 0.00 H new ATOM 687 N SER A 48 1.216 -8.552 7.499 1.00 0.00 N ATOM 688 CA SER A 48 -0.059 -9.173 7.834 1.00 0.00 C ATOM 689 C SER A 48 -1.038 -9.067 6.667 1.00 0.00 C ATOM 690 O SER A 48 -1.283 -7.988 6.126 1.00 0.00 O ATOM 691 CB SER A 48 -0.660 -8.517 9.078 1.00 0.00 C ATOM 692 OG SER A 48 -0.037 -8.995 10.257 1.00 0.00 O ATOM 0 H SER A 48 1.228 -7.536 7.593 1.00 0.00 H new ATOM 0 HA SER A 48 0.123 -10.228 8.040 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.544 -7.435 9.015 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.730 -8.721 9.120 1.00 0.00 H new ATOM 0 HG SER A 48 -0.437 -8.559 11.038 1.00 0.00 H new ATOM 698 N PRO A 49 -1.609 -10.213 6.269 1.00 0.00 N ATOM 699 CA PRO A 49 -2.569 -10.276 5.163 1.00 0.00 C ATOM 700 C PRO A 49 -3.900 -9.620 5.512 1.00 0.00 C ATOM 701 O PRO A 49 -4.208 -9.403 6.684 1.00 0.00 O ATOM 702 CB PRO A 49 -2.756 -11.779 4.942 1.00 0.00 C ATOM 703 CG PRO A 49 -2.430 -12.400 6.256 1.00 0.00 C ATOM 704 CD PRO A 49 -1.362 -11.535 6.868 1.00 0.00 C ATOM 0 HA PRO A 49 -2.212 -9.742 4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.777 -12.010 4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.098 -12.148 4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.311 -12.444 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.078 -13.423 6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.443 -11.505 7.955 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.363 -11.903 6.633 1.00 0.00 H new ATOM 712 N GLY A 50 -4.688 -9.306 4.488 1.00 0.00 N ATOM 713 CA GLY A 50 -5.977 -8.677 4.708 1.00 0.00 C ATOM 714 C GLY A 50 -5.891 -7.496 5.655 1.00 0.00 C ATOM 715 O GLY A 50 -6.742 -7.331 6.529 1.00 0.00 O ATOM 0 H GLY A 50 -4.456 -9.476 3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.383 -8.344 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.673 -9.413 5.112 1.00 0.00 H new ATOM 719 N GLN A 51 -4.862 -6.674 5.481 1.00 0.00 N ATOM 720 CA GLN A 51 -4.668 -5.503 6.329 1.00 0.00 C ATOM 721 C GLN A 51 -4.602 -4.230 5.492 1.00 0.00 C ATOM 722 O GLN A 51 -3.534 -3.839 5.020 1.00 0.00 O ATOM 723 CB GLN A 51 -3.390 -5.651 7.155 1.00 0.00 C ATOM 724 CG GLN A 51 -3.550 -6.557 8.367 1.00 0.00 C ATOM 725 CD GLN A 51 -4.233 -5.863 9.527 1.00 0.00 C ATOM 726 OE1 GLN A 51 -5.458 -5.880 9.643 1.00 0.00 O ATOM 727 NE2 GLN A 51 -3.440 -5.248 10.398 1.00 0.00 N ATOM 0 H GLN A 51 -4.150 -6.796 4.761 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.521 -5.429 7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.599 -6.047 6.518 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.067 -4.665 7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.127 -7.437 8.084 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.569 -6.908 8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.429 -5.259 10.263 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.842 -4.765 11.201 1.00 0.00 H new ATOM 736 N LEU A 52 -5.750 -3.587 5.310 1.00 0.00 N ATOM 737 CA LEU A 52 -5.824 -2.357 4.530 1.00 0.00 C ATOM 738 C LEU A 52 -5.922 -1.138 5.441 1.00 0.00 C ATOM 739 O LEU A 52 -6.119 -1.269 6.649 1.00 0.00 O ATOM 740 CB LEU A 52 -7.026 -2.399 3.586 1.00 0.00 C ATOM 741 CG LEU A 52 -6.916 -3.362 2.402 1.00 0.00 C ATOM 742 CD1 LEU A 52 -8.297 -3.786 1.929 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.135 -2.720 1.264 1.00 0.00 C ATOM 0 H LEU A 52 -6.643 -3.897 5.692 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.910 -2.275 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.909 -2.667 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.193 -1.394 3.197 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.378 -4.251 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.199 -4.471 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.823 -4.285 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.861 -2.907 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.066 -3.419 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.646 -1.814 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.132 -2.467 1.608 1.00 0.00 H new ATOM 755 N SER A 53 -5.785 0.047 4.855 1.00 0.00 N ATOM 756 CA SER A 53 -5.856 1.289 5.614 1.00 0.00 C ATOM 757 C SER A 53 -6.170 2.469 4.698 1.00 0.00 C ATOM 758 O SER A 53 -5.628 2.575 3.597 1.00 0.00 O ATOM 759 CB SER A 53 -4.539 1.537 6.350 1.00 0.00 C ATOM 760 OG SER A 53 -4.264 0.495 7.270 1.00 0.00 O ATOM 0 H SER A 53 -5.624 0.173 3.856 1.00 0.00 H new ATOM 0 HA SER A 53 -6.660 1.194 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.725 1.614 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.588 2.489 6.878 1.00 0.00 H new ATOM 0 HG SER A 53 -5.071 -0.045 7.403 1.00 0.00 H new ATOM 766 N ILE A 54 -7.047 3.352 5.161 1.00 0.00 N ATOM 767 CA ILE A 54 -7.433 4.523 4.385 1.00 0.00 C ATOM 768 C ILE A 54 -6.717 5.774 4.884 1.00 0.00 C ATOM 769 O ILE A 54 -7.239 6.508 5.724 1.00 0.00 O ATOM 770 CB ILE A 54 -8.953 4.761 4.441 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.698 3.583 3.809 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.314 6.060 3.736 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.151 3.495 4.221 1.00 0.00 C ATOM 0 H ILE A 54 -7.504 3.279 6.070 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.142 4.326 3.353 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.254 4.842 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.641 3.668 2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.194 2.656 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.392 6.213 3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.807 6.892 4.224 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.002 6.007 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.616 2.637 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.216 3.379 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.670 4.406 3.922 1.00 0.00 H new ATOM 785 N SER A 55 -5.518 6.012 4.361 1.00 0.00 N ATOM 786 CA SER A 55 -4.729 7.172 4.757 1.00 0.00 C ATOM 787 C SER A 55 -5.150 8.408 3.967 1.00 0.00 C ATOM 788 O SER A 55 -4.699 8.625 2.842 1.00 0.00 O ATOM 789 CB SER A 55 -3.238 6.898 4.540 1.00 0.00 C ATOM 790 OG SER A 55 -2.701 6.135 5.606 1.00 0.00 O ATOM 0 H SER A 55 -5.072 5.417 3.663 1.00 0.00 H new ATOM 0 HA SER A 55 -4.907 7.359 5.816 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.096 6.366 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.700 7.842 4.457 1.00 0.00 H new ATOM 0 HG SER A 55 -1.748 5.972 5.444 1.00 0.00 H new ATOM 796 N LEU A 56 -6.017 9.217 4.567 1.00 0.00 N ATOM 797 CA LEU A 56 -6.500 10.433 3.922 1.00 0.00 C ATOM 798 C LEU A 56 -5.902 11.673 4.579 1.00 0.00 C ATOM 799 O LEU A 56 -5.806 11.754 5.804 1.00 0.00 O ATOM 800 CB LEU A 56 -8.028 10.495 3.987 1.00 0.00 C ATOM 801 CG LEU A 56 -8.619 11.257 5.175 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.535 12.757 4.941 1.00 0.00 C ATOM 803 CD2 LEU A 56 -10.060 10.832 5.416 1.00 0.00 C ATOM 0 H LEU A 56 -6.399 9.053 5.498 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.186 10.410 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.392 10.955 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.413 9.475 4.007 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.037 11.016 6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.960 13.283 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.492 13.048 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.093 13.017 4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.465 11.384 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.655 11.044 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.093 9.763 5.629 1.00 0.00 H new ATOM 815 N ARG A 57 -5.501 12.637 3.757 1.00 0.00 N ATOM 816 CA ARG A 57 -4.912 13.872 4.257 1.00 0.00 C ATOM 817 C ARG A 57 -5.963 14.975 4.356 1.00 0.00 C ATOM 818 O ARG A 57 -6.811 15.118 3.475 1.00 0.00 O ATOM 819 CB ARG A 57 -3.770 14.324 3.346 1.00 0.00 C ATOM 820 CG ARG A 57 -2.417 13.750 3.736 1.00 0.00 C ATOM 821 CD ARG A 57 -1.693 14.650 4.723 1.00 0.00 C ATOM 822 NE ARG A 57 -1.335 15.936 4.132 1.00 0.00 N ATOM 823 CZ ARG A 57 -0.635 16.870 4.768 1.00 0.00 C ATOM 824 NH1 ARG A 57 -0.222 16.661 6.010 1.00 0.00 N ATOM 825 NH2 ARG A 57 -0.348 18.013 4.163 1.00 0.00 N ATOM 0 H ARG A 57 -5.574 12.586 2.741 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.517 13.678 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.997 14.032 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.712 15.412 3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.553 12.762 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.805 13.620 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.327 14.816 5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.791 14.150 5.075 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.639 16.129 3.178 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.441 15.782 6.479 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.315 17.379 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.664 18.178 3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.189 18.728 4.653 1.00 0.00 H new ATOM 839 N TYR A 58 -5.902 15.749 5.434 1.00 0.00 N ATOM 840 CA TYR A 58 -6.849 16.836 5.649 1.00 0.00 C ATOM 841 C TYR A 58 -6.236 17.927 6.520 1.00 0.00 C ATOM 842 O TYR A 58 -5.291 17.682 7.269 1.00 0.00 O ATOM 843 CB TYR A 58 -8.127 16.304 6.302 1.00 0.00 C ATOM 844 CG TYR A 58 -9.169 17.371 6.549 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.626 18.175 5.511 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.698 17.574 7.816 1.00 0.00 C ATOM 847 CE1 TYR A 58 -10.578 19.152 5.731 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.652 18.547 8.046 1.00 0.00 C ATOM 849 CZ TYR A 58 -11.088 19.333 7.000 1.00 0.00 C ATOM 850 OH TYR A 58 -12.038 20.304 7.224 1.00 0.00 O ATOM 0 H TYR A 58 -5.206 15.644 6.173 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.096 17.267 4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.555 15.530 5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.871 15.831 7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.230 18.034 4.516 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.358 16.960 8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.921 19.770 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.053 18.691 9.038 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.293 20.300 8.170 1.00 0.00 H new ATOM 860 N GLU A 59 -6.783 19.135 6.416 1.00 0.00 N ATOM 861 CA GLU A 59 -6.290 20.266 7.193 1.00 0.00 C ATOM 862 C GLU A 59 -5.810 19.813 8.569 1.00 0.00 C ATOM 863 O GLU A 59 -6.593 19.722 9.513 1.00 0.00 O ATOM 864 CB GLU A 59 -7.385 21.324 7.345 1.00 0.00 C ATOM 865 CG GLU A 59 -7.711 22.053 6.053 1.00 0.00 C ATOM 866 CD GLU A 59 -8.291 23.433 6.293 1.00 0.00 C ATOM 867 OE1 GLU A 59 -9.531 23.548 6.385 1.00 0.00 O ATOM 868 OE2 GLU A 59 -7.506 24.399 6.387 1.00 0.00 O ATOM 0 H GLU A 59 -7.567 19.355 5.802 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.446 20.701 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.290 20.847 7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.074 22.052 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.806 22.143 5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.420 21.460 5.475 1.00 0.00 H new ATOM 876 N GLY A 60 -4.515 19.528 8.674 1.00 0.00 N ATOM 877 CA GLY A 60 -3.952 19.088 9.935 1.00 0.00 C ATOM 878 C GLY A 60 -2.818 18.098 9.751 1.00 0.00 C ATOM 879 O GLY A 60 -1.710 18.478 9.372 1.00 0.00 O ATOM 0 H GLY A 60 -3.846 19.595 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.588 19.954 10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.735 18.630 10.539 1.00 0.00 H new ATOM 883 N ARG A 61 -3.094 16.826 10.021 1.00 0.00 N ATOM 884 CA ARG A 61 -2.088 15.781 9.885 1.00 0.00 C ATOM 885 C ARG A 61 -2.644 14.588 9.113 1.00 0.00 C ATOM 886 O ARG A 61 -3.837 14.530 8.815 1.00 0.00 O ATOM 887 CB ARG A 61 -1.603 15.328 11.264 1.00 0.00 C ATOM 888 CG ARG A 61 -0.609 16.283 11.903 1.00 0.00 C ATOM 889 CD ARG A 61 -1.311 17.348 12.730 1.00 0.00 C ATOM 890 NE ARG A 61 -0.516 18.569 12.839 1.00 0.00 N ATOM 891 CZ ARG A 61 -0.664 19.458 13.816 1.00 0.00 C ATOM 892 NH1 ARG A 61 -1.570 19.261 14.763 1.00 0.00 N ATOM 893 NH2 ARG A 61 0.097 20.544 13.846 1.00 0.00 N ATOM 0 H ARG A 61 -4.006 16.495 10.335 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.246 16.192 9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.463 15.217 11.924 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.142 14.344 11.173 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.079 15.723 12.537 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.010 16.760 11.127 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.274 17.582 12.277 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.514 16.957 13.727 1.00 0.00 H new ATOM 0 HE ARG A 61 0.191 18.749 12.126 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.155 18.426 14.743 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.682 19.944 15.512 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.796 20.697 13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.017 21.226 14.596 1.00 0.00 H new ATOM 907 N VAL A 62 -1.771 13.638 8.792 1.00 0.00 N ATOM 908 CA VAL A 62 -2.174 12.446 8.056 1.00 0.00 C ATOM 909 C VAL A 62 -3.055 11.543 8.911 1.00 0.00 C ATOM 910 O VAL A 62 -2.652 11.109 9.991 1.00 0.00 O ATOM 911 CB VAL A 62 -0.951 11.644 7.571 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.393 10.401 6.814 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.053 12.515 6.707 1.00 0.00 C ATOM 0 H VAL A 62 -0.780 13.671 9.030 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.741 12.787 7.190 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.379 11.324 8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.516 9.848 6.479 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.992 9.769 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.989 10.694 5.949 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.806 11.933 6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.612 12.867 5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.292 13.370 7.288 1.00 0.00 H new ATOM 923 N TYR A 63 -4.257 11.262 8.422 1.00 0.00 N ATOM 924 CA TYR A 63 -5.197 10.411 9.143 1.00 0.00 C ATOM 925 C TYR A 63 -5.358 9.064 8.445 1.00 0.00 C ATOM 926 O TYR A 63 -5.331 8.982 7.216 1.00 0.00 O ATOM 927 CB TYR A 63 -6.557 11.103 9.263 1.00 0.00 C ATOM 928 CG TYR A 63 -6.469 12.522 9.775 1.00 0.00 C ATOM 929 CD1 TYR A 63 -5.610 12.856 10.815 1.00 0.00 C ATOM 930 CD2 TYR A 63 -7.247 13.531 9.219 1.00 0.00 C ATOM 931 CE1 TYR A 63 -5.529 14.153 11.286 1.00 0.00 C ATOM 932 CE2 TYR A 63 -7.171 14.829 9.683 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.311 15.135 10.717 1.00 0.00 C ATOM 934 OH TYR A 63 -6.233 16.428 11.183 1.00 0.00 O ATOM 0 H TYR A 63 -4.604 11.611 7.529 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.797 10.236 10.142 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.041 11.107 8.286 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.193 10.523 9.932 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.995 12.089 11.263 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.923 13.295 8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.857 14.396 12.096 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.782 15.601 9.239 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.848 16.997 10.674 1.00 0.00 H new ATOM 944 N HIS A 64 -5.527 8.010 9.236 1.00 0.00 N ATOM 945 CA HIS A 64 -5.695 6.666 8.696 1.00 0.00 C ATOM 946 C HIS A 64 -6.910 5.980 9.314 1.00 0.00 C ATOM 947 O HIS A 64 -7.445 6.434 10.325 1.00 0.00 O ATOM 948 CB HIS A 64 -4.440 5.831 8.949 1.00 0.00 C ATOM 949 CG HIS A 64 -4.381 5.237 10.321 1.00 0.00 C ATOM 950 ND1 HIS A 64 -4.666 3.913 10.582 1.00 0.00 N ATOM 951 CD2 HIS A 64 -4.066 5.795 11.515 1.00 0.00 C ATOM 952 CE1 HIS A 64 -4.530 3.682 11.876 1.00 0.00 C ATOM 953 NE2 HIS A 64 -4.167 4.808 12.465 1.00 0.00 N ATOM 0 H HIS A 64 -5.551 8.061 10.254 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.855 6.751 7.621 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.393 5.029 8.213 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.561 6.456 8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.787 6.824 11.688 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.689 2.734 12.369 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.991 4.925 13.463 1.00 0.00 H new ATOM 962 N TYR A 65 -7.339 4.884 8.699 1.00 0.00 N ATOM 963 CA TYR A 65 -8.492 4.136 9.188 1.00 0.00 C ATOM 964 C TYR A 65 -8.297 2.638 8.980 1.00 0.00 C ATOM 965 O TYR A 65 -8.155 2.169 7.850 1.00 0.00 O ATOM 966 CB TYR A 65 -9.765 4.600 8.477 1.00 0.00 C ATOM 967 CG TYR A 65 -10.110 6.049 8.737 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.496 7.069 8.022 1.00 0.00 C ATOM 969 CD2 TYR A 65 -11.051 6.398 9.698 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.807 8.394 8.256 1.00 0.00 C ATOM 971 CE2 TYR A 65 -11.370 7.721 9.938 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.746 8.715 9.215 1.00 0.00 C ATOM 973 OH TYR A 65 -11.058 10.034 9.451 1.00 0.00 O ATOM 0 H TYR A 65 -6.907 4.494 7.862 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.591 4.326 10.257 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.647 4.450 7.404 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.598 3.974 8.796 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.762 6.822 7.269 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.541 5.622 10.267 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.318 9.174 7.692 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.104 7.975 10.688 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.011 10.214 10.413 1.00 0.00 H new ATOM 983 N ARG A 66 -8.293 1.889 10.079 1.00 0.00 N ATOM 984 CA ARG A 66 -8.117 0.445 10.019 1.00 0.00 C ATOM 985 C ARG A 66 -9.418 -0.247 9.621 1.00 0.00 C ATOM 986 O ARG A 66 -10.431 -0.127 10.310 1.00 0.00 O ATOM 987 CB ARG A 66 -7.636 -0.089 11.370 1.00 0.00 C ATOM 988 CG ARG A 66 -6.832 -1.374 11.267 1.00 0.00 C ATOM 989 CD ARG A 66 -7.728 -2.601 11.353 1.00 0.00 C ATOM 990 NE ARG A 66 -8.107 -2.906 12.731 1.00 0.00 N ATOM 991 CZ ARG A 66 -7.354 -3.622 13.557 1.00 0.00 C ATOM 992 NH1 ARG A 66 -6.189 -4.104 13.149 1.00 0.00 N ATOM 993 NH2 ARG A 66 -7.766 -3.857 14.797 1.00 0.00 N ATOM 0 H ARG A 66 -8.410 2.260 11.022 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.364 0.228 9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.026 0.673 11.856 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.500 -0.262 12.011 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.285 -1.387 10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.092 -1.406 12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.626 -2.437 10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.212 -3.458 10.921 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.998 -2.550 13.077 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.868 -3.925 12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.613 -4.654 13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.662 -3.487 15.115 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.187 -4.407 15.431 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.380 -0.970 8.507 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.555 -1.681 8.018 1.00 0.00 C ATOM 1009 C ILE A 67 -10.798 -2.956 8.818 1.00 0.00 C ATOM 1010 O ILE A 67 -9.898 -3.778 8.984 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.416 -2.041 6.527 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.323 -0.771 5.679 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.587 -2.901 6.078 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -8.908 -0.280 5.479 1.00 0.00 C ATOM 0 H ILE A 67 -8.549 -1.079 7.926 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.405 -1.010 8.142 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.498 -2.613 6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.774 -0.961 4.705 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.908 0.017 6.154 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.474 -3.147 5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.610 -3.820 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.518 -2.354 6.225 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.919 0.623 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.460 -0.058 6.447 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.323 -1.050 4.976 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.022 -3.115 9.310 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.385 -4.292 10.092 1.00 0.00 C ATOM 1028 C ASN A 68 -13.551 -5.035 9.446 1.00 0.00 C ATOM 1029 O ASN A 68 -14.286 -4.474 8.633 1.00 0.00 O ATOM 1030 CB ASN A 68 -12.751 -3.888 11.521 1.00 0.00 C ATOM 1031 CG ASN A 68 -11.712 -2.979 12.150 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -10.534 -3.328 12.231 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -12.146 -1.806 12.596 1.00 0.00 N ATOM 0 H ASN A 68 -12.779 -2.444 9.181 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.523 -4.959 10.121 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.717 -3.383 11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.863 -4.784 12.131 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.494 -1.151 13.027 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.132 -1.560 12.507 1.00 0.00 H new ATOM 1040 N THR A 69 -13.716 -6.302 9.817 1.00 0.00 N ATOM 1041 CA THR A 69 -14.791 -7.122 9.275 1.00 0.00 C ATOM 1042 C THR A 69 -15.929 -7.270 10.278 1.00 0.00 C ATOM 1043 O THR A 69 -15.853 -6.765 11.398 1.00 0.00 O ATOM 1044 CB THR A 69 -14.285 -8.522 8.880 1.00 0.00 C ATOM 1045 OG1 THR A 69 -13.184 -8.898 9.714 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.856 -8.552 7.421 1.00 0.00 C ATOM 0 H THR A 69 -13.118 -6.781 10.490 1.00 0.00 H new ATOM 0 HA THR A 69 -15.159 -6.612 8.385 1.00 0.00 H new ATOM 0 HB THR A 69 -15.102 -9.231 9.016 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.869 -9.790 9.458 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.503 -9.551 7.166 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.704 -8.294 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.053 -7.832 7.263 1.00 0.00 H new ATOM 1054 N THR A 70 -16.985 -7.966 9.870 1.00 0.00 N ATOM 1055 CA THR A 70 -18.139 -8.179 10.734 1.00 0.00 C ATOM 1056 C THR A 70 -18.350 -9.664 11.013 1.00 0.00 C ATOM 1057 O THR A 70 -18.051 -10.148 12.104 1.00 0.00 O ATOM 1058 CB THR A 70 -19.423 -7.601 10.109 1.00 0.00 C ATOM 1059 OG1 THR A 70 -19.731 -8.291 8.893 1.00 0.00 O ATOM 1060 CG2 THR A 70 -19.265 -6.114 9.829 1.00 0.00 C ATOM 0 H THR A 70 -17.065 -8.392 8.947 1.00 0.00 H new ATOM 0 HA THR A 70 -17.933 -7.660 11.670 1.00 0.00 H new ATOM 0 HB THR A 70 -20.239 -7.737 10.818 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.549 -8.817 9.013 1.00 0.00 H new ATOM 0 HG21 THR A 70 -20.184 -5.727 9.388 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.061 -5.588 10.761 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.437 -5.960 9.137 1.00 0.00 H new ATOM 1068 N ALA A 71 -18.866 -10.381 10.020 1.00 0.00 N ATOM 1069 CA ALA A 71 -19.112 -11.811 10.159 1.00 0.00 C ATOM 1070 C ALA A 71 -18.413 -12.600 9.058 1.00 0.00 C ATOM 1071 O ALA A 71 -17.395 -13.250 9.296 1.00 0.00 O ATOM 1072 CB ALA A 71 -20.609 -12.092 10.143 1.00 0.00 C ATOM 0 H ALA A 71 -19.122 -9.995 9.111 1.00 0.00 H new ATOM 0 HA ALA A 71 -18.701 -12.133 11.116 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -20.779 -13.164 10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -21.087 -11.566 10.970 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -21.034 -11.747 9.200 1.00 0.00 H new ATOM 1078 N ASP A 72 -18.964 -12.537 7.850 1.00 0.00 N ATOM 1079 CA ASP A 72 -18.392 -13.246 6.711 1.00 0.00 C ATOM 1080 C ASP A 72 -17.170 -12.509 6.172 1.00 0.00 C ATOM 1081 O ASP A 72 -16.065 -13.050 6.153 1.00 0.00 O ATOM 1082 CB ASP A 72 -19.437 -13.404 5.606 1.00 0.00 C ATOM 1083 CG ASP A 72 -20.305 -14.632 5.801 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -20.942 -14.744 6.871 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -20.349 -15.478 4.885 1.00 0.00 O ATOM 0 H ASP A 72 -19.806 -12.002 7.635 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.079 -14.234 7.048 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.069 -12.517 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -18.934 -13.468 4.641 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.378 -11.272 5.732 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.284 -10.482 5.196 1.00 0.00 C ATOM 1093 C GLY A 73 -16.712 -9.075 4.826 1.00 0.00 C ATOM 1094 O GLY A 73 -16.214 -8.502 3.858 1.00 0.00 O ATOM 0 H GLY A 73 -18.284 -10.803 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.481 -10.433 5.931 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -15.879 -10.979 4.315 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.639 -8.518 5.599 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.134 -7.170 5.347 1.00 0.00 C ATOM 1100 C LYS A 74 -17.251 -6.130 6.030 1.00 0.00 C ATOM 1101 O LYS A 74 -17.225 -6.030 7.256 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.576 -7.034 5.843 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.529 -8.042 5.226 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.763 -8.246 6.089 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.708 -7.058 6.000 1.00 0.00 C ATOM 1106 NZ LYS A 74 -23.584 -6.955 7.200 1.00 0.00 N ATOM 0 H LYS A 74 -18.062 -8.979 6.404 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.107 -6.995 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.591 -7.149 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.933 -6.028 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.829 -7.700 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.016 -8.994 5.093 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.283 -9.150 5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.462 -8.396 7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.129 -6.141 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.325 -7.151 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.213 -6.133 7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -24.155 -7.820 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -22.996 -6.840 8.050 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.530 -5.354 5.226 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.647 -4.320 5.752 1.00 0.00 C ATOM 1122 C VAL A 75 -16.440 -3.095 6.195 1.00 0.00 C ATOM 1123 O VAL A 75 -17.469 -2.762 5.608 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.602 -3.890 4.705 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.633 -5.027 4.420 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.285 -3.426 3.429 1.00 0.00 C ATOM 0 H VAL A 75 -16.540 -5.422 4.208 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.134 -4.748 6.613 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.033 -3.053 5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.902 -4.705 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.118 -5.305 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.183 -5.887 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.531 -3.126 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.882 -4.241 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.933 -2.578 3.651 1.00 0.00 H new ATOM 1136 N TYR A 76 -15.953 -2.428 7.235 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.617 -1.241 7.760 1.00 0.00 C ATOM 1138 C TYR A 76 -15.695 -0.473 8.703 1.00 0.00 C ATOM 1139 O TYR A 76 -15.339 -0.961 9.776 1.00 0.00 O ATOM 1140 CB TYR A 76 -17.902 -1.630 8.491 1.00 0.00 C ATOM 1141 CG TYR A 76 -17.678 -2.067 9.921 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -17.161 -3.323 10.212 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -17.982 -1.222 10.983 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -16.954 -3.727 11.516 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -17.777 -1.617 12.290 1.00 0.00 C ATOM 1146 CZ TYR A 76 -17.264 -2.870 12.552 1.00 0.00 C ATOM 1147 OH TYR A 76 -17.059 -3.268 13.854 1.00 0.00 O ATOM 0 H TYR A 76 -15.101 -2.689 7.731 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.867 -0.595 6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.586 -0.781 8.482 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.390 -2.438 7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -16.916 -3.996 9.403 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.385 -0.240 10.782 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -16.552 -4.708 11.724 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -18.017 -0.948 13.103 1.00 0.00 H new ATOM 0 HH TYR A 76 -17.327 -2.548 14.462 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.313 0.734 8.295 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.434 1.570 9.103 1.00 0.00 C ATOM 1159 C VAL A 77 -15.229 2.620 9.872 1.00 0.00 C ATOM 1160 O VAL A 77 -15.236 3.798 9.513 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.378 2.279 8.232 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.497 1.259 7.527 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.050 3.202 7.227 1.00 0.00 C ATOM 0 H VAL A 77 -15.599 1.154 7.410 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.930 0.910 9.809 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.744 2.885 8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.757 1.777 6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.988 0.643 8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.113 0.625 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.290 3.694 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.708 2.620 6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.634 3.954 7.758 1.00 0.00 H new ATOM 1173 N THR A 78 -15.900 2.184 10.934 1.00 0.00 N ATOM 1174 CA THR A 78 -16.700 3.085 11.755 1.00 0.00 C ATOM 1175 C THR A 78 -17.288 2.356 12.957 1.00 0.00 C ATOM 1176 O THR A 78 -17.235 1.130 13.039 1.00 0.00 O ATOM 1177 CB THR A 78 -17.845 3.719 10.942 1.00 0.00 C ATOM 1178 OG1 THR A 78 -18.768 4.368 11.823 1.00 0.00 O ATOM 1179 CG2 THR A 78 -18.572 2.664 10.121 1.00 0.00 C ATOM 0 H THR A 78 -15.905 1.213 11.246 1.00 0.00 H new ATOM 0 HA THR A 78 -16.032 3.873 12.102 1.00 0.00 H new ATOM 0 HB THR A 78 -17.417 4.454 10.261 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.492 4.770 11.299 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.376 3.134 9.555 1.00 0.00 H new ATOM 0 HG22 THR A 78 -17.871 2.192 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 78 -18.990 1.909 10.787 1.00 0.00 H new ATOM 1187 N ALA A 79 -17.848 3.120 13.890 1.00 0.00 N ATOM 1188 CA ALA A 79 -18.449 2.546 15.087 1.00 0.00 C ATOM 1189 C ALA A 79 -19.904 2.977 15.232 1.00 0.00 C ATOM 1190 O ALA A 79 -20.423 3.078 16.343 1.00 0.00 O ATOM 1191 CB ALA A 79 -17.653 2.946 16.321 1.00 0.00 C ATOM 0 H ALA A 79 -17.898 4.138 13.839 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.427 1.461 14.989 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -18.113 2.510 17.208 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.630 2.583 16.227 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -17.645 4.032 16.413 1.00 0.00 H new ATOM 1197 N GLU A 80 -20.557 3.230 14.102 1.00 0.00 N ATOM 1198 CA GLU A 80 -21.953 3.651 14.105 1.00 0.00 C ATOM 1199 C GLU A 80 -22.759 2.870 13.073 1.00 0.00 C ATOM 1200 O GLU A 80 -23.899 2.477 13.326 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.057 5.151 13.819 1.00 0.00 C ATOM 1202 CG GLU A 80 -21.431 6.020 14.896 1.00 0.00 C ATOM 1203 CD GLU A 80 -21.934 7.450 14.858 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -21.658 8.149 13.860 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -22.602 7.870 15.825 1.00 0.00 O ATOM 0 H GLU A 80 -20.142 3.151 13.174 1.00 0.00 H new ATOM 0 HA GLU A 80 -22.365 3.447 15.093 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -21.575 5.365 12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.108 5.420 13.712 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -21.645 5.590 15.874 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.348 6.017 14.776 1.00 0.00 H new ATOM 1213 N SER A 81 -22.160 2.647 11.908 1.00 0.00 N ATOM 1214 CA SER A 81 -22.824 1.915 10.834 1.00 0.00 C ATOM 1215 C SER A 81 -21.902 0.845 10.254 1.00 0.00 C ATOM 1216 O SER A 81 -20.794 0.635 10.744 1.00 0.00 O ATOM 1217 CB SER A 81 -23.266 2.877 9.730 1.00 0.00 C ATOM 1218 OG SER A 81 -22.239 3.804 9.421 1.00 0.00 O ATOM 0 H SER A 81 -21.216 2.962 11.683 1.00 0.00 H new ATOM 0 HA SER A 81 -23.703 1.424 11.252 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.532 2.313 8.836 1.00 0.00 H new ATOM 0 HB3 SER A 81 -24.161 3.413 10.047 1.00 0.00 H new ATOM 0 HG SER A 81 -22.545 4.407 8.712 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.371 0.174 9.208 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.590 -0.875 8.562 1.00 0.00 C ATOM 1226 C ARG A 82 -21.795 -0.851 7.050 1.00 0.00 C ATOM 1227 O ARG A 82 -22.740 -0.240 6.550 1.00 0.00 O ATOM 1228 CB ARG A 82 -21.979 -2.246 9.118 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.698 -2.402 10.603 1.00 0.00 C ATOM 1230 CD ARG A 82 -22.212 -3.733 11.131 1.00 0.00 C ATOM 1231 NE ARG A 82 -23.669 -3.820 11.070 1.00 0.00 N ATOM 1232 CZ ARG A 82 -24.339 -4.965 11.117 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -23.687 -6.114 11.227 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -25.664 -4.963 11.057 1.00 0.00 N ATOM 0 H ARG A 82 -23.287 0.337 8.790 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.536 -0.691 8.772 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.041 -2.414 8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.437 -3.018 8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.625 -2.329 10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.169 -1.586 11.151 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.776 -4.546 10.551 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.884 -3.865 12.162 1.00 0.00 H new ATOM 0 HE ARG A 82 -24.201 -2.953 10.987 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.668 -6.120 11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -24.204 -6.992 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -26.169 -4.081 10.975 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -26.177 -5.844 11.093 1.00 0.00 H new ATOM 1248 N PHE A 83 -20.902 -1.520 6.327 1.00 0.00 N ATOM 1249 CA PHE A 83 -20.984 -1.574 4.871 1.00 0.00 C ATOM 1250 C PHE A 83 -20.715 -2.987 4.365 1.00 0.00 C ATOM 1251 O PHE A 83 -20.115 -3.805 5.062 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.986 -0.597 4.247 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.198 0.829 4.668 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -19.641 1.307 5.843 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -20.954 1.690 3.890 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -19.835 2.619 6.234 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -21.152 3.002 4.276 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.590 3.468 5.448 1.00 0.00 C ATOM 0 H PHE A 83 -20.114 -2.032 6.725 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.994 -1.288 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.975 -0.901 4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -20.058 -0.661 3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.049 0.648 6.460 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -21.394 1.332 2.971 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -19.397 2.980 7.153 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -21.746 3.662 3.661 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.740 4.494 5.750 1.00 0.00 H new ATOM 1268 N SER A 84 -21.164 -3.269 3.146 1.00 0.00 N ATOM 1269 CA SER A 84 -20.976 -4.584 2.545 1.00 0.00 C ATOM 1270 C SER A 84 -19.519 -4.795 2.144 1.00 0.00 C ATOM 1271 O SER A 84 -18.828 -5.654 2.693 1.00 0.00 O ATOM 1272 CB SER A 84 -21.882 -4.745 1.323 1.00 0.00 C ATOM 1273 OG SER A 84 -23.236 -4.914 1.710 1.00 0.00 O ATOM 0 H SER A 84 -21.661 -2.603 2.555 1.00 0.00 H new ATOM 0 HA SER A 84 -21.243 -5.336 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.791 -3.869 0.681 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.558 -5.605 0.737 1.00 0.00 H new ATOM 0 HG SER A 84 -23.795 -5.013 0.911 1.00 0.00 H new ATOM 1279 N THR A 85 -19.057 -4.004 1.179 1.00 0.00 N ATOM 1280 CA THR A 85 -17.684 -4.104 0.702 1.00 0.00 C ATOM 1281 C THR A 85 -16.976 -2.757 0.778 1.00 0.00 C ATOM 1282 O THR A 85 -17.590 -1.739 1.100 1.00 0.00 O ATOM 1283 CB THR A 85 -17.629 -4.618 -0.749 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.322 -3.713 -1.616 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.249 -6.004 -0.856 1.00 0.00 C ATOM 0 H THR A 85 -19.614 -3.288 0.713 1.00 0.00 H new ATOM 0 HA THR A 85 -17.175 -4.816 1.352 1.00 0.00 H new ATOM 0 HB THR A 85 -16.583 -4.680 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.281 -4.046 -2.537 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.199 -6.346 -1.890 1.00 0.00 H new ATOM 0 HG22 THR A 85 -17.702 -6.698 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.291 -5.962 -0.538 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.681 -2.755 0.481 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.888 -1.531 0.515 1.00 0.00 C ATOM 1295 C LEU A 86 -15.437 -0.500 -0.466 1.00 0.00 C ATOM 1296 O LEU A 86 -15.735 0.633 -0.089 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.426 -1.837 0.187 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.396 -0.838 0.713 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.433 -0.783 2.232 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -11.002 -1.201 0.225 1.00 0.00 C ATOM 0 H LEU A 86 -15.157 -3.588 0.214 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.948 -1.116 1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.184 -2.822 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.323 -1.898 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.648 0.150 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.693 -0.066 2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.425 -0.474 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.208 -1.769 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.282 -0.478 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.740 -2.198 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.983 -1.187 -0.865 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.569 -0.902 -1.726 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.086 -0.014 -2.761 1.00 0.00 C ATOM 1314 C ALA A 87 -17.136 0.935 -2.194 1.00 0.00 C ATOM 1315 O ALA A 87 -17.089 2.141 -2.433 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.667 -0.825 -3.909 1.00 0.00 C ATOM 0 H ALA A 87 -15.325 -1.836 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.258 0.587 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -17.049 -0.150 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.889 -1.457 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.479 -1.450 -3.538 1.00 0.00 H new ATOM 1322 N GLU A 88 -18.084 0.382 -1.445 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.147 1.181 -0.847 1.00 0.00 C ATOM 1324 C GLU A 88 -18.625 1.979 0.344 1.00 0.00 C ATOM 1325 O GLU A 88 -18.954 3.154 0.511 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.305 0.282 -0.403 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.830 -0.621 -1.506 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.705 0.119 -2.499 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.198 0.479 -3.582 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.895 0.339 -2.193 1.00 0.00 O ATOM 0 H GLU A 88 -18.138 -0.615 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.507 1.880 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.976 -0.334 0.434 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.120 0.907 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.989 -1.071 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.401 -1.437 -1.062 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.807 1.334 1.168 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.237 1.982 2.344 1.00 0.00 C ATOM 1340 C LEU A 89 -16.583 3.309 1.971 1.00 0.00 C ATOM 1341 O LEU A 89 -16.723 4.304 2.682 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.209 1.065 3.010 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.374 1.691 4.128 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.778 0.611 5.017 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.278 2.570 3.544 1.00 0.00 C ATOM 0 H LEU A 89 -17.523 0.362 1.043 1.00 0.00 H new ATOM 0 HA LEU A 89 -18.047 2.180 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.733 0.200 3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.531 0.695 2.241 1.00 0.00 H new ATOM 0 HG LEU A 89 -16.026 2.315 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.187 1.075 5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.580 0.022 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.139 -0.040 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.693 3.008 4.353 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.627 1.967 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.728 3.365 2.950 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.870 3.318 0.849 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.198 4.524 0.379 1.00 0.00 C ATOM 1359 C VAL A 90 -16.160 5.427 -0.383 1.00 0.00 C ATOM 1360 O VAL A 90 -16.296 6.611 -0.072 1.00 0.00 O ATOM 1361 CB VAL A 90 -14.003 4.182 -0.529 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.307 5.450 -0.996 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -13.029 3.263 0.194 1.00 0.00 C ATOM 0 H VAL A 90 -15.743 2.503 0.248 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.835 5.049 1.262 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.376 3.657 -1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.465 5.188 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -14.011 6.066 -1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.946 6.006 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.191 3.032 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.660 3.758 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.538 2.340 0.472 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.828 4.862 -1.384 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.778 5.616 -2.193 1.00 0.00 C ATOM 1375 C HIS A 91 -18.880 6.211 -1.320 1.00 0.00 C ATOM 1376 O HIS A 91 -19.003 7.431 -1.202 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.392 4.719 -3.268 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.119 5.476 -4.336 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -18.482 6.290 -5.250 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.438 5.537 -4.636 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -19.378 6.821 -6.063 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -20.572 6.379 -5.712 1.00 0.00 N ATOM 0 H HIS A 91 -16.728 3.883 -1.654 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.239 6.431 -2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.602 4.125 -3.728 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.082 4.020 -2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.236 5.020 -4.124 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -19.170 7.501 -6.876 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -21.452 6.624 -6.167 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.682 5.341 -0.713 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.773 5.781 0.149 1.00 0.00 C ATOM 1393 C HIS A 92 -20.371 7.015 0.950 1.00 0.00 C ATOM 1394 O HIS A 92 -21.046 8.044 0.906 1.00 0.00 O ATOM 1395 CB HIS A 92 -21.187 4.655 1.099 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.600 4.766 1.580 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.631 4.008 1.066 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -23.152 5.552 2.535 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.755 4.324 1.684 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -24.492 5.258 2.579 1.00 0.00 N ATOM 0 H HIS A 92 -19.597 4.329 -0.802 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.620 6.042 -0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.058 3.698 0.593 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.518 4.653 1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -22.634 6.275 3.148 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.725 3.891 1.490 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -25.174 5.691 3.202 1.00 0.00 H new ATOM 1409 N HIS A 93 -19.266 6.908 1.682 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.774 8.015 2.493 1.00 0.00 C ATOM 1411 C HIS A 93 -18.453 9.225 1.621 1.00 0.00 C ATOM 1412 O HIS A 93 -18.641 10.368 2.035 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.531 7.590 3.275 1.00 0.00 C ATOM 1414 CG HIS A 93 -17.842 6.912 4.573 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -18.923 7.251 5.359 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -17.209 5.906 5.222 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -18.939 6.486 6.435 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -17.911 5.661 6.377 1.00 0.00 N ATOM 0 H HIS A 93 -18.694 6.065 1.730 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.558 8.294 3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.936 6.918 2.657 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.918 8.469 3.472 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -16.318 5.392 4.893 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -19.670 6.528 7.229 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -17.676 4.956 7.076 1.00 0.00 H new ATOM 1427 N SER A 94 -17.965 8.964 0.411 1.00 0.00 N ATOM 1428 CA SER A 94 -17.612 10.032 -0.517 1.00 0.00 C ATOM 1429 C SER A 94 -18.589 11.198 -0.399 1.00 0.00 C ATOM 1430 O SER A 94 -18.213 12.358 -0.563 1.00 0.00 O ATOM 1431 CB SER A 94 -17.599 9.505 -1.952 1.00 0.00 C ATOM 1432 OG SER A 94 -16.916 10.395 -2.817 1.00 0.00 O ATOM 0 H SER A 94 -17.806 8.023 0.052 1.00 0.00 H new ATOM 0 HA SER A 94 -16.615 10.389 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.119 8.527 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.622 9.367 -2.301 1.00 0.00 H new ATOM 0 HG SER A 94 -16.251 10.902 -2.306 1.00 0.00 H new ATOM 1438 N THR A 95 -19.848 10.880 -0.115 1.00 0.00 N ATOM 1439 CA THR A 95 -20.882 11.900 0.023 1.00 0.00 C ATOM 1440 C THR A 95 -20.834 12.547 1.403 1.00 0.00 C ATOM 1441 O THR A 95 -20.753 13.769 1.524 1.00 0.00 O ATOM 1442 CB THR A 95 -22.286 11.311 -0.208 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.349 10.687 -1.494 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.349 12.395 -0.111 1.00 0.00 C ATOM 0 H THR A 95 -20.177 9.925 0.024 1.00 0.00 H new ATOM 0 HA THR A 95 -20.685 12.656 -0.737 1.00 0.00 H new ATOM 0 HB THR A 95 -22.477 10.567 0.565 1.00 0.00 H new ATOM 0 HG1 THR A 95 -23.244 10.313 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.333 11.956 -0.278 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.317 12.848 0.880 1.00 0.00 H new ATOM 0 HG23 THR A 95 -23.160 13.158 -0.866 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.885 11.720 2.442 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.847 12.211 3.813 1.00 0.00 C ATOM 1454 C VAL A 96 -19.684 11.595 4.585 1.00 0.00 C ATOM 1455 O VAL A 96 -19.336 10.433 4.381 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.161 11.906 4.557 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.372 10.404 4.674 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.161 12.562 5.930 1.00 0.00 C ATOM 0 H VAL A 96 -20.953 10.706 2.360 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.713 13.291 3.758 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.989 12.321 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.305 10.208 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.420 9.965 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.543 9.962 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.097 12.336 6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.326 12.179 6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -22.061 13.642 5.817 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.088 12.383 5.475 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.967 11.915 6.279 1.00 0.00 C ATOM 1470 C ALA A 97 -18.454 11.219 7.546 1.00 0.00 C ATOM 1471 O ALA A 97 -17.684 11.007 8.484 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.050 13.077 6.632 1.00 0.00 C ATOM 0 H ALA A 97 -19.364 13.348 5.657 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.406 11.190 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.217 12.713 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.667 13.530 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -17.608 13.822 7.199 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.734 10.867 7.568 1.00 0.00 N ATOM 1479 CA ASP A 98 -20.323 10.194 8.719 1.00 0.00 C ATOM 1480 C ASP A 98 -19.370 9.145 9.282 1.00 0.00 C ATOM 1481 O ASP A 98 -19.374 7.993 8.850 1.00 0.00 O ATOM 1482 CB ASP A 98 -21.650 9.540 8.331 1.00 0.00 C ATOM 1483 CG ASP A 98 -22.622 9.466 9.493 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -23.287 8.420 9.645 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -22.714 10.453 10.252 1.00 0.00 O ATOM 0 H ASP A 98 -20.384 11.037 6.801 1.00 0.00 H new ATOM 0 HA ASP A 98 -20.508 10.942 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -22.105 10.104 7.516 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.460 8.534 7.956 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.552 9.552 10.248 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.603 8.635 10.853 1.00 0.00 C ATOM 1493 C GLY A 99 -16.225 8.735 10.231 1.00 0.00 C ATOM 1494 O GLY A 99 -15.479 7.755 10.195 1.00 0.00 O ATOM 0 H GLY A 99 -18.529 10.500 10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.532 8.842 11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.972 7.615 10.750 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.883 9.921 9.741 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.584 10.145 9.116 1.00 0.00 C ATOM 1500 C LEU A 100 -14.085 11.561 9.390 1.00 0.00 C ATOM 1501 O LEU A 100 -14.799 12.381 9.967 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.673 9.907 7.607 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.874 8.457 7.168 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -15.041 8.374 5.659 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.707 7.594 7.626 1.00 0.00 C ATOM 0 H LEU A 100 -16.487 10.743 9.764 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.875 9.439 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.497 10.502 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.760 10.282 7.146 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.784 8.079 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -15.183 7.334 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -15.910 8.958 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.150 8.770 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.867 6.565 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.782 7.971 7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.634 7.627 8.713 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.855 11.842 8.970 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.262 13.159 9.167 1.00 0.00 C ATOM 1519 C VAL A 101 -12.897 14.191 8.244 1.00 0.00 C ATOM 1520 O VAL A 101 -13.110 15.340 8.631 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.741 13.132 8.922 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.435 12.600 7.530 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -10.146 14.517 9.115 1.00 0.00 C ATOM 0 H VAL A 101 -12.250 11.175 8.491 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.450 13.439 10.203 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.284 12.462 9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.356 12.588 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.827 11.588 7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.902 13.243 6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.071 14.479 8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.605 15.212 8.412 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.334 14.855 10.134 1.00 0.00 H new ATOM 1533 N THR A 102 -13.197 13.774 7.018 1.00 0.00 N ATOM 1534 CA THR A 102 -13.808 14.663 6.037 1.00 0.00 C ATOM 1535 C THR A 102 -14.224 13.898 4.785 1.00 0.00 C ATOM 1536 O THR A 102 -13.494 13.029 4.306 1.00 0.00 O ATOM 1537 CB THR A 102 -12.850 15.800 5.636 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.561 16.806 4.906 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.703 15.267 4.788 1.00 0.00 C ATOM 0 H THR A 102 -13.027 12.827 6.681 1.00 0.00 H new ATOM 0 HA THR A 102 -14.693 15.092 6.507 1.00 0.00 H new ATOM 0 HB THR A 102 -12.438 16.236 6.546 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.945 17.526 4.656 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.039 16.088 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 102 -11.146 14.522 5.356 1.00 0.00 H new ATOM 0 HG23 THR A 102 -12.102 14.809 3.883 1.00 0.00 H new ATOM 1547 N THR A 103 -15.400 14.227 4.260 1.00 0.00 N ATOM 1548 CA THR A 103 -15.913 13.571 3.064 1.00 0.00 C ATOM 1549 C THR A 103 -14.814 13.387 2.023 1.00 0.00 C ATOM 1550 O THR A 103 -14.143 14.346 1.640 1.00 0.00 O ATOM 1551 CB THR A 103 -17.071 14.370 2.438 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.702 15.747 2.309 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.330 14.253 3.285 1.00 0.00 C ATOM 0 H THR A 103 -16.015 14.944 4.644 1.00 0.00 H new ATOM 0 HA THR A 103 -16.283 12.593 3.373 1.00 0.00 H new ATOM 0 HB THR A 103 -17.277 13.956 1.451 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.741 15.813 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 103 -19.134 14.826 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.625 13.206 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.134 14.643 4.284 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.637 12.153 1.568 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.619 11.844 0.569 1.00 0.00 C ATOM 1563 C LEU A 104 -13.815 12.689 -0.687 1.00 0.00 C ATOM 1564 O LEU A 104 -14.616 12.348 -1.557 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.661 10.358 0.210 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.512 9.382 1.377 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.677 7.947 0.897 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.164 9.565 2.057 1.00 0.00 C ATOM 0 H LEU A 104 -15.185 11.349 1.874 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.644 12.080 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.607 10.152 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.868 10.156 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.296 9.594 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.568 7.266 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.666 7.822 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.916 7.723 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.076 8.862 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.366 9.381 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -12.083 10.584 2.436 1.00 0.00 H new ATOM 1580 N HIS A 105 -13.078 13.791 -0.773 1.00 0.00 N ATOM 1581 CA HIS A 105 -13.168 14.683 -1.924 1.00 0.00 C ATOM 1582 C HIS A 105 -12.671 13.989 -3.189 1.00 0.00 C ATOM 1583 O HIS A 105 -13.459 13.646 -4.071 1.00 0.00 O ATOM 1584 CB HIS A 105 -12.358 15.955 -1.675 1.00 0.00 C ATOM 1585 CG HIS A 105 -12.943 16.841 -0.620 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -14.192 17.419 -0.729 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -12.447 17.248 0.573 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -14.437 18.141 0.349 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -13.393 18.055 1.154 1.00 0.00 N ATOM 0 H HIS A 105 -12.412 14.088 -0.060 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.215 14.950 -2.064 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -11.344 15.679 -1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -12.282 16.515 -2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -11.486 16.986 0.990 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -15.338 18.706 0.540 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -13.304 18.514 2.061 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.361 13.786 -3.271 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.759 13.137 -4.430 1.00 0.00 C ATOM 1600 C TYR A 106 -9.912 11.940 -4.005 1.00 0.00 C ATOM 1601 O TYR A 106 -9.100 12.018 -3.083 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.899 14.133 -5.209 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.545 15.489 -5.380 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.649 15.655 -6.207 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -10.054 16.604 -4.713 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -12.243 16.892 -6.367 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.642 17.844 -4.864 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.737 17.984 -5.693 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.325 19.217 -5.847 1.00 0.00 O ATOM 0 H TYR A 106 -10.695 14.061 -2.549 1.00 0.00 H new ATOM 0 HA TYR A 106 -11.563 12.780 -5.074 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.946 14.257 -4.695 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.679 13.718 -6.193 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -12.050 14.802 -6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.197 16.499 -4.065 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.099 17.003 -7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.247 18.700 -4.336 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.848 19.877 -5.303 1.00 0.00 H new ATOM 1619 N PRO A 107 -10.106 10.806 -4.694 1.00 0.00 N ATOM 1620 CA PRO A 107 -9.370 9.571 -4.408 1.00 0.00 C ATOM 1621 C PRO A 107 -7.898 9.670 -4.796 1.00 0.00 C ATOM 1622 O PRO A 107 -7.015 9.372 -3.993 1.00 0.00 O ATOM 1623 CB PRO A 107 -10.080 8.527 -5.273 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.688 9.307 -6.388 1.00 0.00 C ATOM 1625 CD PRO A 107 -11.058 10.643 -5.805 1.00 0.00 C ATOM 0 HA PRO A 107 -9.369 9.335 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.379 7.781 -5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.840 7.992 -4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.985 9.422 -7.213 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.566 8.799 -6.787 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.960 11.443 -6.539 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -12.090 10.657 -5.455 1.00 0.00 H new ATOM 1633 N ALA A 108 -7.643 10.092 -6.029 1.00 0.00 N ATOM 1634 CA ALA A 108 -6.278 10.235 -6.521 1.00 0.00 C ATOM 1635 C ALA A 108 -6.210 11.233 -7.671 1.00 0.00 C ATOM 1636 O ALA A 108 -7.035 11.223 -8.585 1.00 0.00 O ATOM 1637 CB ALA A 108 -5.734 8.883 -6.960 1.00 0.00 C ATOM 0 H ALA A 108 -8.364 10.341 -6.706 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.662 10.617 -5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.714 9.002 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.738 8.197 -6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.360 8.480 -7.756 1.00 0.00 H new