USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 772 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot 180:sc= 0.191 USER MOD Set 1.2: A 82 TYR OH : rot -2:sc= 0.759 USER MOD Set 2.1: A 19 SER OG : rot -127:sc= 0.131 USER MOD Set 2.2: A 89 TYR OH : rot -118:sc= 0.682 USER MOD Set 2.3: A 93 GLN : amide:sc= -0.0124 K(o=0.8,f=-0.012) USER MOD Single : A 14 LYS NZ :NH3+ 141:sc= 0.988 (180deg=0.495) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= 0.00755 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 24 LYS NZ :NH3+ -137:sc= 0.0569 (180deg=-0.0198) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00904 USER MOD Single : A 28 SER OG : rot 180:sc= -1.32 USER MOD Single : A 32 GLN : amide:sc= 1.88 K(o=1.9,f=-1.6) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 76:sc= 1.31 USER MOD Single : A 41 THR OG1 : rot -81:sc= 1.19 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.042) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 2.4 (180deg=2.35) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.957 (180deg=-1.7!) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc=-0.00252 (180deg=-0.098) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl -171:sc= -0.73 (180deg=-0.836) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.95) USER MOD Single : A 84 THR OG1 : rot 58:sc= 1.19 USER MOD Single : A 87 MET CE :methyl -153:sc= -2.51 (180deg=-5.27!) USER MOD Single : A 92 GLN : amide:sc= -3.32! K(o=-3.3!,f=-0.52) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.148 (180deg=-0.561) USER MOD Single : A 95 MET CE :methyl 155:sc= -11! (180deg=-13.4!) USER MOD Single : A 99 ASN : amide:sc= -1.05 K(o=-1,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 172 N ARG A 11 -14.354 5.161 -1.966 1.00 0.00 N ATOM 173 CA ARG A 11 -13.176 5.791 -1.364 1.00 0.00 C ATOM 174 C ARG A 11 -12.463 4.822 -0.424 1.00 0.00 C ATOM 175 O ARG A 11 -11.776 5.231 0.505 1.00 0.00 O ATOM 176 CB ARG A 11 -13.547 7.085 -0.622 1.00 0.00 C ATOM 177 CG ARG A 11 -13.329 8.341 -1.452 1.00 0.00 C ATOM 178 CD ARG A 11 -13.631 9.607 -0.662 1.00 0.00 C ATOM 179 NE ARG A 11 -13.103 10.801 -1.324 1.00 0.00 N ATOM 180 CZ ARG A 11 -13.771 11.518 -2.227 1.00 0.00 C ATOM 181 NH1 ARG A 11 -15.014 11.192 -2.565 1.00 0.00 N ATOM 182 NH2 ARG A 11 -13.197 12.582 -2.779 1.00 0.00 N ATOM 0 HA ARG A 11 -12.495 6.053 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.593 7.035 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.955 7.154 0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.297 8.370 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.965 8.306 -2.337 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.709 9.708 -0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.200 9.524 0.336 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.161 11.104 -1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.466 10.386 -2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.517 11.747 -3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.249 12.847 -2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.704 13.134 -3.471 1.00 0.00 H new ATOM 196 N ALA A 12 -12.611 3.533 -0.693 1.00 0.00 N ATOM 197 CA ALA A 12 -11.959 2.510 0.107 1.00 0.00 C ATOM 198 C ALA A 12 -10.570 2.224 -0.433 1.00 0.00 C ATOM 199 O ALA A 12 -10.337 2.335 -1.638 1.00 0.00 O ATOM 200 CB ALA A 12 -12.792 1.239 0.131 1.00 0.00 C ATOM 0 H ALA A 12 -13.178 3.172 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.866 2.878 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.288 0.485 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.770 1.453 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.916 0.866 -0.886 1.00 0.00 H new ATOM 206 N PHE A 13 -9.662 1.836 0.460 1.00 0.00 N ATOM 207 CA PHE A 13 -8.256 1.643 0.113 1.00 0.00 C ATOM 208 C PHE A 13 -8.087 0.747 -1.115 1.00 0.00 C ATOM 209 O PHE A 13 -7.293 1.056 -1.996 1.00 0.00 O ATOM 210 CB PHE A 13 -7.486 1.055 1.302 1.00 0.00 C ATOM 211 CG PHE A 13 -5.992 1.050 1.109 1.00 0.00 C ATOM 212 CD1 PHE A 13 -5.362 -0.011 0.477 1.00 0.00 C ATOM 213 CD2 PHE A 13 -5.217 2.109 1.559 1.00 0.00 C ATOM 214 CE1 PHE A 13 -3.993 -0.014 0.295 1.00 0.00 C ATOM 215 CE2 PHE A 13 -3.847 2.110 1.381 1.00 0.00 C ATOM 216 CZ PHE A 13 -3.235 1.048 0.747 1.00 0.00 C ATOM 0 H PHE A 13 -9.878 1.648 1.439 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.847 2.623 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.726 1.627 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.825 0.034 1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.949 -0.845 0.123 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.691 2.943 2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.516 -0.846 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.256 2.941 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.164 1.047 0.605 1.00 0.00 H new ATOM 226 N LYS A 14 -8.847 -0.344 -1.186 1.00 0.00 N ATOM 227 CA LYS A 14 -8.703 -1.288 -2.295 1.00 0.00 C ATOM 228 C LYS A 14 -9.079 -0.649 -3.634 1.00 0.00 C ATOM 229 O LYS A 14 -8.463 -0.936 -4.655 1.00 0.00 O ATOM 230 CB LYS A 14 -9.528 -2.560 -2.062 1.00 0.00 C ATOM 231 CG LYS A 14 -11.017 -2.323 -1.866 1.00 0.00 C ATOM 232 CD LYS A 14 -11.791 -3.630 -1.952 1.00 0.00 C ATOM 233 CE LYS A 14 -13.259 -3.449 -1.603 1.00 0.00 C ATOM 234 NZ LYS A 14 -13.452 -3.183 -0.156 1.00 0.00 N ATOM 0 H LYS A 14 -9.559 -0.595 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.650 -1.567 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.389 -3.228 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.137 -3.075 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.190 -1.856 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.382 -1.629 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.706 -4.036 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.345 -4.360 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.671 -2.623 -2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.813 -4.344 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.200 -2.472 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.727 -4.063 0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.564 -2.828 0.253 1.00 0.00 H new ATOM 248 N THR A 15 -10.077 0.227 -3.623 1.00 0.00 N ATOM 249 CA THR A 15 -10.499 0.923 -4.832 1.00 0.00 C ATOM 250 C THR A 15 -9.489 2.004 -5.203 1.00 0.00 C ATOM 251 O THR A 15 -9.172 2.215 -6.374 1.00 0.00 O ATOM 252 CB THR A 15 -11.888 1.567 -4.643 1.00 0.00 C ATOM 253 OG1 THR A 15 -12.865 0.556 -4.350 1.00 0.00 O ATOM 254 CG2 THR A 15 -12.307 2.342 -5.885 1.00 0.00 C ATOM 0 H THR A 15 -10.610 0.472 -2.788 1.00 0.00 H new ATOM 0 HA THR A 15 -10.557 0.188 -5.635 1.00 0.00 H new ATOM 0 HB THR A 15 -11.825 2.264 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.743 0.975 -4.230 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.290 2.785 -5.723 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.582 3.131 -6.084 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.350 1.666 -6.739 1.00 0.00 H new ATOM 262 N VAL A 16 -8.975 2.674 -4.188 1.00 0.00 N ATOM 263 CA VAL A 16 -8.022 3.752 -4.382 1.00 0.00 C ATOM 264 C VAL A 16 -6.683 3.207 -4.859 1.00 0.00 C ATOM 265 O VAL A 16 -6.089 3.729 -5.801 1.00 0.00 O ATOM 266 CB VAL A 16 -7.843 4.544 -3.081 1.00 0.00 C ATOM 267 CG1 VAL A 16 -6.893 5.715 -3.283 1.00 0.00 C ATOM 268 CG2 VAL A 16 -9.203 5.013 -2.592 1.00 0.00 C ATOM 0 H VAL A 16 -9.204 2.488 -3.212 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.412 4.422 -5.149 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.398 3.899 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.783 6.260 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.920 5.343 -3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.295 6.382 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.082 5.577 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.662 5.650 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.842 4.149 -2.410 1.00 0.00 H new ATOM 278 N ALA A 17 -6.221 2.146 -4.210 1.00 0.00 N ATOM 279 CA ALA A 17 -5.016 1.450 -4.642 1.00 0.00 C ATOM 280 C ALA A 17 -5.208 0.874 -6.041 1.00 0.00 C ATOM 281 O ALA A 17 -4.265 0.800 -6.825 1.00 0.00 O ATOM 282 CB ALA A 17 -4.654 0.348 -3.659 1.00 0.00 C ATOM 0 H ALA A 17 -6.663 1.748 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.196 2.167 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.752 -0.160 -3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.478 0.782 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.473 -0.369 -3.598 1.00 0.00 H new ATOM 288 N LYS A 18 -6.440 0.473 -6.345 1.00 0.00 N ATOM 289 CA LYS A 18 -6.791 -0.004 -7.677 1.00 0.00 C ATOM 290 C LYS A 18 -6.571 1.111 -8.693 1.00 0.00 C ATOM 291 O LYS A 18 -5.961 0.907 -9.742 1.00 0.00 O ATOM 292 CB LYS A 18 -8.257 -0.448 -7.707 1.00 0.00 C ATOM 293 CG LYS A 18 -8.616 -1.342 -8.880 1.00 0.00 C ATOM 294 CD LYS A 18 -7.994 -2.718 -8.729 1.00 0.00 C ATOM 295 CE LYS A 18 -8.521 -3.690 -9.767 1.00 0.00 C ATOM 296 NZ LYS A 18 -8.033 -5.074 -9.523 1.00 0.00 N ATOM 0 H LYS A 18 -7.215 0.470 -5.682 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.158 -0.855 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.483 -0.976 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.892 0.438 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.700 -1.435 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.273 -0.885 -9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.911 -2.640 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.202 -3.104 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.611 -3.681 -9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.211 -3.365 -10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.225 -5.662 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.009 -5.054 -9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.523 -5.475 -8.698 1.00 0.00 H new ATOM 310 N SER A 19 -7.070 2.294 -8.357 1.00 0.00 N ATOM 311 CA SER A 19 -6.915 3.469 -9.200 1.00 0.00 C ATOM 312 C SER A 19 -5.438 3.838 -9.315 1.00 0.00 C ATOM 313 O SER A 19 -4.949 4.174 -10.393 1.00 0.00 O ATOM 314 CB SER A 19 -7.721 4.634 -8.616 1.00 0.00 C ATOM 315 OG SER A 19 -7.905 5.673 -9.564 1.00 0.00 O ATOM 0 H SER A 19 -7.591 2.464 -7.497 1.00 0.00 H new ATOM 0 HA SER A 19 -7.293 3.250 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.693 4.272 -8.280 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.207 5.028 -7.739 1.00 0.00 H new ATOM 0 HG SER A 19 -7.613 6.525 -9.177 1.00 0.00 H new ATOM 321 N TRP A 20 -4.734 3.751 -8.195 1.00 0.00 N ATOM 322 CA TRP A 20 -3.300 4.010 -8.153 1.00 0.00 C ATOM 323 C TRP A 20 -2.559 3.045 -9.077 1.00 0.00 C ATOM 324 O TRP A 20 -1.701 3.456 -9.857 1.00 0.00 O ATOM 325 CB TRP A 20 -2.795 3.881 -6.711 1.00 0.00 C ATOM 326 CG TRP A 20 -1.315 4.066 -6.556 1.00 0.00 C ATOM 327 CD1 TRP A 20 -0.634 5.248 -6.508 1.00 0.00 C ATOM 328 CD2 TRP A 20 -0.336 3.031 -6.412 1.00 0.00 C ATOM 329 NE1 TRP A 20 0.710 5.013 -6.345 1.00 0.00 N ATOM 330 CE2 TRP A 20 0.919 3.657 -6.284 1.00 0.00 C ATOM 331 CE3 TRP A 20 -0.399 1.635 -6.379 1.00 0.00 C ATOM 332 CZ2 TRP A 20 2.098 2.932 -6.124 1.00 0.00 C ATOM 333 CZ3 TRP A 20 0.771 0.918 -6.221 1.00 0.00 C ATOM 334 CH2 TRP A 20 2.006 1.567 -6.096 1.00 0.00 C ATOM 0 H TRP A 20 -5.138 3.500 -7.293 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.108 5.025 -8.501 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.308 4.617 -6.092 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.068 2.897 -6.329 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -1.086 6.226 -6.587 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.434 5.729 -6.280 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -1.346 1.126 -6.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 3.051 3.430 -6.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 0.733 -0.161 -6.193 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.903 0.978 -5.975 1.00 0.00 H new ATOM 345 N PHE A 21 -2.916 1.768 -8.992 1.00 0.00 N ATOM 346 CA PHE A 21 -2.342 0.739 -9.853 1.00 0.00 C ATOM 347 C PHE A 21 -2.637 1.042 -11.319 1.00 0.00 C ATOM 348 O PHE A 21 -1.769 0.900 -12.178 1.00 0.00 O ATOM 349 CB PHE A 21 -2.905 -0.633 -9.471 1.00 0.00 C ATOM 350 CG PHE A 21 -2.376 -1.772 -10.297 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.096 -2.261 -10.091 1.00 0.00 C ATOM 352 CD2 PHE A 21 -3.165 -2.361 -11.273 1.00 0.00 C ATOM 353 CE1 PHE A 21 -0.612 -3.315 -10.843 1.00 0.00 C ATOM 354 CE2 PHE A 21 -2.686 -3.414 -12.029 1.00 0.00 C ATOM 355 CZ PHE A 21 -1.408 -3.891 -11.814 1.00 0.00 C ATOM 0 H PHE A 21 -3.607 1.418 -8.329 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.261 0.730 -9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.680 -0.825 -8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.991 -0.606 -9.564 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.469 -1.813 -9.334 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.166 -1.993 -11.444 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.387 -3.688 -10.672 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.310 -3.863 -12.787 1.00 0.00 H new ATOM 0 HZ PHE A 21 -1.031 -4.713 -12.404 1.00 0.00 H new ATOM 365 N ALA A 22 -3.860 1.479 -11.593 1.00 0.00 N ATOM 366 CA ALA A 22 -4.274 1.815 -12.952 1.00 0.00 C ATOM 367 C ALA A 22 -3.529 3.041 -13.479 1.00 0.00 C ATOM 368 O ALA A 22 -3.438 3.254 -14.688 1.00 0.00 O ATOM 369 CB ALA A 22 -5.776 2.051 -12.996 1.00 0.00 C ATOM 0 H ALA A 22 -4.587 1.610 -10.889 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.023 0.973 -13.597 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.075 2.301 -14.014 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.296 1.148 -12.676 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.035 2.874 -12.329 1.00 0.00 H new ATOM 375 N THR A 23 -2.994 3.840 -12.568 1.00 0.00 N ATOM 376 CA THR A 23 -2.265 5.044 -12.938 1.00 0.00 C ATOM 377 C THR A 23 -0.754 4.785 -12.903 1.00 0.00 C ATOM 378 O THR A 23 0.060 5.686 -13.112 1.00 0.00 O ATOM 379 CB THR A 23 -2.628 6.209 -11.989 1.00 0.00 C ATOM 380 OG1 THR A 23 -4.046 6.227 -11.769 1.00 0.00 O ATOM 381 CG2 THR A 23 -2.204 7.551 -12.571 1.00 0.00 C ATOM 0 H THR A 23 -3.051 3.675 -11.563 1.00 0.00 H new ATOM 0 HA THR A 23 -2.549 5.320 -13.953 1.00 0.00 H new ATOM 0 HB THR A 23 -2.098 6.053 -11.049 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.280 5.561 -11.089 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.474 8.349 -11.879 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.125 7.555 -12.727 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.709 7.710 -13.524 1.00 0.00 H new ATOM 389 N LYS A 24 -0.383 3.538 -12.649 1.00 0.00 N ATOM 390 CA LYS A 24 1.021 3.162 -12.580 1.00 0.00 C ATOM 391 C LYS A 24 1.399 2.196 -13.694 1.00 0.00 C ATOM 392 O LYS A 24 0.850 1.101 -13.798 1.00 0.00 O ATOM 393 CB LYS A 24 1.347 2.544 -11.217 1.00 0.00 C ATOM 394 CG LYS A 24 1.602 3.568 -10.124 1.00 0.00 C ATOM 395 CD LYS A 24 2.849 4.386 -10.420 1.00 0.00 C ATOM 396 CE LYS A 24 3.181 5.342 -9.287 1.00 0.00 C ATOM 397 NZ LYS A 24 2.149 6.398 -9.121 1.00 0.00 N ATOM 0 H LYS A 24 -1.035 2.770 -12.487 1.00 0.00 H new ATOM 0 HA LYS A 24 1.608 4.071 -12.709 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.521 1.901 -10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.226 1.908 -11.318 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.741 4.231 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.715 3.061 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.692 3.715 -10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.703 4.951 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.277 4.781 -8.357 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.147 5.808 -9.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.613 7.316 -8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.562 6.448 -9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.548 6.171 -8.303 1.00 0.00 H new ATOM 411 N THR A 25 2.316 2.629 -14.540 1.00 0.00 N ATOM 412 CA THR A 25 2.919 1.768 -15.546 1.00 0.00 C ATOM 413 C THR A 25 4.427 1.982 -15.564 1.00 0.00 C ATOM 414 O THR A 25 5.133 1.490 -16.445 1.00 0.00 O ATOM 415 CB THR A 25 2.341 2.045 -16.947 1.00 0.00 C ATOM 416 OG1 THR A 25 2.251 3.460 -17.168 1.00 0.00 O ATOM 417 CG2 THR A 25 0.969 1.406 -17.108 1.00 0.00 C ATOM 0 H THR A 25 2.665 3.587 -14.551 1.00 0.00 H new ATOM 0 HA THR A 25 2.692 0.734 -15.286 1.00 0.00 H new ATOM 0 HB THR A 25 3.011 1.605 -17.686 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.884 3.629 -18.061 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.584 1.617 -18.106 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.052 0.328 -16.971 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.287 1.815 -16.362 1.00 0.00 H new ATOM 425 N THR A 26 4.908 2.712 -14.563 1.00 0.00 N ATOM 426 CA THR A 26 6.310 3.082 -14.467 1.00 0.00 C ATOM 427 C THR A 26 7.198 1.866 -14.230 1.00 0.00 C ATOM 428 O THR A 26 8.274 1.743 -14.819 1.00 0.00 O ATOM 429 CB THR A 26 6.516 4.102 -13.334 1.00 0.00 C ATOM 430 OG1 THR A 26 5.853 3.646 -12.146 1.00 0.00 O ATOM 431 CG2 THR A 26 5.975 5.468 -13.729 1.00 0.00 C ATOM 0 H THR A 26 4.334 3.063 -13.796 1.00 0.00 H new ATOM 0 HA THR A 26 6.596 3.530 -15.418 1.00 0.00 H new ATOM 0 HB THR A 26 7.585 4.195 -13.145 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.988 4.297 -11.426 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.132 6.172 -12.912 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.496 5.822 -14.618 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.909 5.390 -13.940 1.00 0.00 H new ATOM 439 N TRP A 27 6.745 0.973 -13.363 1.00 0.00 N ATOM 440 CA TRP A 27 7.472 -0.256 -13.086 1.00 0.00 C ATOM 441 C TRP A 27 7.315 -1.236 -14.240 1.00 0.00 C ATOM 442 O TRP A 27 6.505 -1.018 -15.143 1.00 0.00 O ATOM 443 CB TRP A 27 6.987 -0.897 -11.784 1.00 0.00 C ATOM 444 CG TRP A 27 7.504 -0.222 -10.548 1.00 0.00 C ATOM 445 CD1 TRP A 27 8.783 0.196 -10.320 1.00 0.00 C ATOM 446 CD2 TRP A 27 6.767 0.082 -9.355 1.00 0.00 C ATOM 447 NE1 TRP A 27 8.885 0.749 -9.068 1.00 0.00 N ATOM 448 CE2 TRP A 27 7.663 0.691 -8.455 1.00 0.00 C ATOM 449 CE3 TRP A 27 5.437 -0.098 -8.961 1.00 0.00 C ATOM 450 CZ2 TRP A 27 7.274 1.117 -7.188 1.00 0.00 C ATOM 451 CZ3 TRP A 27 5.052 0.326 -7.701 1.00 0.00 C ATOM 452 CH2 TRP A 27 5.968 0.929 -6.828 1.00 0.00 C ATOM 0 H TRP A 27 5.876 1.077 -12.839 1.00 0.00 H new ATOM 0 HA TRP A 27 8.527 -0.006 -12.974 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.897 -0.882 -11.766 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.291 -1.944 -11.770 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.597 0.105 -11.023 1.00 0.00 H new ATOM 0 HE1 TRP A 27 9.734 1.140 -8.660 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.724 -0.559 -9.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.979 1.580 -6.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.028 0.190 -7.385 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.636 1.251 -5.852 1.00 0.00 H new ATOM 463 N SER A 28 8.091 -2.308 -14.219 1.00 0.00 N ATOM 464 CA SER A 28 8.002 -3.312 -15.262 1.00 0.00 C ATOM 465 C SER A 28 6.755 -4.166 -15.071 1.00 0.00 C ATOM 466 O SER A 28 6.267 -4.324 -13.952 1.00 0.00 O ATOM 467 CB SER A 28 9.264 -4.178 -15.283 1.00 0.00 C ATOM 468 OG SER A 28 9.553 -4.706 -14.002 1.00 0.00 O ATOM 0 H SER A 28 8.784 -2.503 -13.496 1.00 0.00 H new ATOM 0 HA SER A 28 7.924 -2.808 -16.226 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.134 -4.995 -15.993 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.109 -3.584 -15.632 1.00 0.00 H new ATOM 0 HG SER A 28 10.363 -5.255 -14.050 1.00 0.00 H new ATOM 474 N GLU A 29 6.256 -4.709 -16.171 1.00 0.00 N ATOM 475 CA GLU A 29 5.013 -5.474 -16.186 1.00 0.00 C ATOM 476 C GLU A 29 5.067 -6.628 -15.180 1.00 0.00 C ATOM 477 O GLU A 29 4.140 -6.822 -14.395 1.00 0.00 O ATOM 478 CB GLU A 29 4.788 -6.003 -17.609 1.00 0.00 C ATOM 479 CG GLU A 29 3.332 -6.110 -18.038 1.00 0.00 C ATOM 480 CD GLU A 29 2.593 -7.264 -17.401 1.00 0.00 C ATOM 481 OE1 GLU A 29 3.123 -8.396 -17.411 1.00 0.00 O ATOM 482 OE2 GLU A 29 1.458 -7.055 -16.922 1.00 0.00 O ATOM 0 H GLU A 29 6.703 -4.632 -17.085 1.00 0.00 H new ATOM 0 HA GLU A 29 4.183 -4.831 -15.894 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.309 -5.350 -18.309 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.247 -6.988 -17.690 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.820 -5.181 -17.789 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.289 -6.217 -19.122 1.00 0.00 H new ATOM 489 N ASP A 30 6.167 -7.373 -15.195 1.00 0.00 N ATOM 490 CA ASP A 30 6.329 -8.519 -14.303 1.00 0.00 C ATOM 491 C ASP A 30 6.449 -8.079 -12.846 1.00 0.00 C ATOM 492 O ASP A 30 5.722 -8.567 -11.978 1.00 0.00 O ATOM 493 CB ASP A 30 7.564 -9.331 -14.697 1.00 0.00 C ATOM 494 CG ASP A 30 7.775 -10.535 -13.801 1.00 0.00 C ATOM 495 OD1 ASP A 30 8.463 -10.402 -12.767 1.00 0.00 O ATOM 496 OD2 ASP A 30 7.268 -11.629 -14.136 1.00 0.00 O ATOM 0 H ASP A 30 6.960 -7.205 -15.814 1.00 0.00 H new ATOM 0 HA ASP A 30 5.439 -9.141 -14.402 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.462 -9.664 -15.730 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.445 -8.691 -14.654 1.00 0.00 H new ATOM 501 N TYR A 31 7.362 -7.149 -12.587 1.00 0.00 N ATOM 502 CA TYR A 31 7.622 -6.688 -11.228 1.00 0.00 C ATOM 503 C TYR A 31 6.393 -6.020 -10.625 1.00 0.00 C ATOM 504 O TYR A 31 6.069 -6.241 -9.458 1.00 0.00 O ATOM 505 CB TYR A 31 8.815 -5.727 -11.208 1.00 0.00 C ATOM 506 CG TYR A 31 8.978 -4.972 -9.906 1.00 0.00 C ATOM 507 CD1 TYR A 31 9.467 -5.597 -8.767 1.00 0.00 C ATOM 508 CD2 TYR A 31 8.638 -3.628 -9.819 1.00 0.00 C ATOM 509 CE1 TYR A 31 9.609 -4.904 -7.578 1.00 0.00 C ATOM 510 CE2 TYR A 31 8.780 -2.930 -8.636 1.00 0.00 C ATOM 511 CZ TYR A 31 9.263 -3.571 -7.520 1.00 0.00 C ATOM 512 OH TYR A 31 9.396 -2.875 -6.340 1.00 0.00 O ATOM 0 H TYR A 31 7.935 -6.699 -13.301 1.00 0.00 H new ATOM 0 HA TYR A 31 7.862 -7.560 -10.620 1.00 0.00 H new ATOM 0 HB2 TYR A 31 9.726 -6.292 -11.405 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.703 -5.009 -12.021 1.00 0.00 H new ATOM 0 HD1 TYR A 31 9.741 -6.641 -8.810 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.256 -3.120 -10.692 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.989 -5.405 -6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.513 -1.885 -8.588 1.00 0.00 H new ATOM 0 HH TYR A 31 9.109 -1.948 -6.473 1.00 0.00 H new ATOM 522 N GLN A 32 5.701 -5.217 -11.419 1.00 0.00 N ATOM 523 CA GLN A 32 4.539 -4.496 -10.928 1.00 0.00 C ATOM 524 C GLN A 32 3.405 -5.457 -10.583 1.00 0.00 C ATOM 525 O GLN A 32 2.648 -5.221 -9.640 1.00 0.00 O ATOM 526 CB GLN A 32 4.072 -3.459 -11.941 1.00 0.00 C ATOM 527 CG GLN A 32 2.965 -2.579 -11.402 1.00 0.00 C ATOM 528 CD GLN A 32 2.602 -1.445 -12.326 1.00 0.00 C ATOM 529 OE1 GLN A 32 3.432 -0.944 -13.086 1.00 0.00 O ATOM 530 NE2 GLN A 32 1.356 -1.024 -12.251 1.00 0.00 N ATOM 0 H GLN A 32 5.923 -5.049 -12.400 1.00 0.00 H new ATOM 0 HA GLN A 32 4.832 -3.974 -10.017 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.917 -2.836 -12.234 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.723 -3.966 -12.841 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.080 -3.189 -11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.271 -2.170 -10.439 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.705 -1.471 -11.606 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.043 -0.251 -12.838 1.00 0.00 H new ATOM 539 N ARG A 33 3.297 -6.543 -11.340 1.00 0.00 N ATOM 540 CA ARG A 33 2.340 -7.596 -11.025 1.00 0.00 C ATOM 541 C ARG A 33 2.637 -8.178 -9.648 1.00 0.00 C ATOM 542 O ARG A 33 1.727 -8.442 -8.860 1.00 0.00 O ATOM 543 CB ARG A 33 2.383 -8.697 -12.088 1.00 0.00 C ATOM 544 CG ARG A 33 1.605 -9.950 -11.709 1.00 0.00 C ATOM 545 CD ARG A 33 1.607 -10.969 -12.836 1.00 0.00 C ATOM 546 NE ARG A 33 0.754 -10.558 -13.947 1.00 0.00 N ATOM 547 CZ ARG A 33 1.200 -9.983 -15.061 1.00 0.00 C ATOM 548 NH1 ARG A 33 2.495 -9.786 -15.244 1.00 0.00 N ATOM 549 NH2 ARG A 33 0.346 -9.626 -16.004 1.00 0.00 N ATOM 0 H ARG A 33 3.859 -6.717 -12.174 1.00 0.00 H new ATOM 0 HA ARG A 33 1.339 -7.165 -11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.984 -8.302 -13.023 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.422 -8.969 -12.274 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.042 -10.394 -10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.578 -9.681 -11.462 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.626 -11.110 -13.195 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.267 -11.932 -12.455 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.249 -10.722 -13.864 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.161 -10.076 -14.528 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.828 -9.344 -16.101 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.652 -9.791 -15.877 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.685 -9.185 -16.859 1.00 0.00 H new ATOM 563 N SER A 34 3.918 -8.356 -9.358 1.00 0.00 N ATOM 564 CA SER A 34 4.341 -8.856 -8.062 1.00 0.00 C ATOM 565 C SER A 34 4.003 -7.833 -6.975 1.00 0.00 C ATOM 566 O SER A 34 3.561 -8.197 -5.883 1.00 0.00 O ATOM 567 CB SER A 34 5.840 -9.162 -8.081 1.00 0.00 C ATOM 568 OG SER A 34 6.236 -9.879 -6.925 1.00 0.00 O ATOM 0 H SER A 34 4.682 -8.161 -10.005 1.00 0.00 H new ATOM 0 HA SER A 34 3.809 -9.781 -7.840 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.083 -9.742 -8.972 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.402 -8.230 -8.144 1.00 0.00 H new ATOM 0 HG SER A 34 7.198 -10.061 -6.967 1.00 0.00 H new ATOM 574 N VAL A 35 4.192 -6.551 -7.294 1.00 0.00 N ATOM 575 CA VAL A 35 3.807 -5.464 -6.396 1.00 0.00 C ATOM 576 C VAL A 35 2.330 -5.575 -6.042 1.00 0.00 C ATOM 577 O VAL A 35 1.957 -5.573 -4.868 1.00 0.00 O ATOM 578 CB VAL A 35 4.068 -4.076 -7.033 1.00 0.00 C ATOM 579 CG1 VAL A 35 3.582 -2.955 -6.122 1.00 0.00 C ATOM 580 CG2 VAL A 35 5.544 -3.904 -7.344 1.00 0.00 C ATOM 0 H VAL A 35 4.611 -6.241 -8.171 1.00 0.00 H new ATOM 0 HA VAL A 35 4.417 -5.554 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 35 3.506 -4.021 -7.965 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.778 -1.992 -6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.511 -3.064 -5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.109 -3.006 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.710 -2.924 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.122 -3.985 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.862 -4.679 -8.041 1.00 0.00 H new ATOM 590 N TRP A 36 1.505 -5.702 -7.073 1.00 0.00 N ATOM 591 CA TRP A 36 0.063 -5.787 -6.908 1.00 0.00 C ATOM 592 C TRP A 36 -0.324 -7.019 -6.094 1.00 0.00 C ATOM 593 O TRP A 36 -1.189 -6.948 -5.223 1.00 0.00 O ATOM 594 CB TRP A 36 -0.609 -5.820 -8.282 1.00 0.00 C ATOM 595 CG TRP A 36 -2.101 -5.771 -8.220 1.00 0.00 C ATOM 596 CD1 TRP A 36 -2.969 -6.721 -8.671 1.00 0.00 C ATOM 597 CD2 TRP A 36 -2.901 -4.720 -7.667 1.00 0.00 C ATOM 598 NE1 TRP A 36 -4.260 -6.321 -8.442 1.00 0.00 N ATOM 599 CE2 TRP A 36 -4.245 -5.098 -7.824 1.00 0.00 C ATOM 600 CE3 TRP A 36 -2.611 -3.497 -7.054 1.00 0.00 C ATOM 601 CZ2 TRP A 36 -5.297 -4.297 -7.392 1.00 0.00 C ATOM 602 CZ3 TRP A 36 -3.657 -2.702 -6.627 1.00 0.00 C ATOM 603 CH2 TRP A 36 -4.986 -3.106 -6.797 1.00 0.00 C ATOM 0 H TRP A 36 1.817 -5.749 -8.043 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.278 -4.908 -6.362 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.250 -4.977 -8.873 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.305 -6.727 -8.804 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.682 -7.651 -9.139 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.097 -6.848 -8.691 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.588 -3.180 -6.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.324 -4.605 -7.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.446 -1.754 -6.155 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.782 -2.464 -6.451 1.00 0.00 H new ATOM 614 N THR A 37 0.338 -8.135 -6.363 1.00 0.00 N ATOM 615 CA THR A 37 0.059 -9.382 -5.663 1.00 0.00 C ATOM 616 C THR A 37 0.340 -9.247 -4.161 1.00 0.00 C ATOM 617 O THR A 37 -0.384 -9.799 -3.327 1.00 0.00 O ATOM 618 CB THR A 37 0.893 -10.537 -6.256 1.00 0.00 C ATOM 619 OG1 THR A 37 0.655 -10.627 -7.669 1.00 0.00 O ATOM 620 CG2 THR A 37 0.542 -11.865 -5.600 1.00 0.00 C ATOM 0 H THR A 37 1.076 -8.203 -7.064 1.00 0.00 H new ATOM 0 HA THR A 37 -0.999 -9.608 -5.795 1.00 0.00 H new ATOM 0 HB THR A 37 1.946 -10.327 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.130 -9.903 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.146 -12.659 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.742 -11.806 -4.530 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.514 -12.082 -5.760 1.00 0.00 H new ATOM 628 N ARG A 38 1.377 -8.489 -3.816 1.00 0.00 N ATOM 629 CA ARG A 38 1.723 -8.269 -2.417 1.00 0.00 C ATOM 630 C ARG A 38 0.752 -7.291 -1.766 1.00 0.00 C ATOM 631 O ARG A 38 0.502 -7.356 -0.563 1.00 0.00 O ATOM 632 CB ARG A 38 3.166 -7.774 -2.284 1.00 0.00 C ATOM 633 CG ARG A 38 4.185 -8.817 -2.712 1.00 0.00 C ATOM 634 CD ARG A 38 5.604 -8.418 -2.345 1.00 0.00 C ATOM 635 NE ARG A 38 6.095 -7.275 -3.117 1.00 0.00 N ATOM 636 CZ ARG A 38 7.177 -7.330 -3.893 1.00 0.00 C ATOM 637 NH1 ARG A 38 7.786 -8.491 -4.091 1.00 0.00 N ATOM 638 NH2 ARG A 38 7.641 -6.237 -4.491 1.00 0.00 N ATOM 0 H ARG A 38 1.989 -8.019 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 38 1.643 -9.223 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.295 -6.876 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.355 -7.491 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.945 -9.771 -2.243 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.119 -8.966 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.644 -8.176 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.267 -9.268 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 38 5.584 -6.394 -3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.426 -9.337 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.614 -8.538 -4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.168 -5.343 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.470 -6.292 -5.083 1.00 0.00 H new ATOM 652 N LEU A 39 0.190 -6.395 -2.566 1.00 0.00 N ATOM 653 CA LEU A 39 -0.836 -5.485 -2.076 1.00 0.00 C ATOM 654 C LEU A 39 -2.120 -6.259 -1.805 1.00 0.00 C ATOM 655 O LEU A 39 -2.739 -6.106 -0.755 1.00 0.00 O ATOM 656 CB LEU A 39 -1.097 -4.360 -3.086 1.00 0.00 C ATOM 657 CG LEU A 39 0.115 -3.483 -3.413 1.00 0.00 C ATOM 658 CD1 LEU A 39 -0.269 -2.387 -4.396 1.00 0.00 C ATOM 659 CD2 LEU A 39 0.702 -2.881 -2.145 1.00 0.00 C ATOM 0 H LEU A 39 0.426 -6.279 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.486 -5.031 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.465 -4.803 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.892 -3.723 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 39 0.876 -4.111 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.605 -1.774 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.638 -2.838 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.049 -1.763 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.562 -2.262 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.052 -2.269 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.017 -3.681 -1.475 1.00 0.00 H new ATOM 671 N GLU A 40 -2.487 -7.114 -2.756 1.00 0.00 N ATOM 672 CA GLU A 40 -3.673 -7.959 -2.646 1.00 0.00 C ATOM 673 C GLU A 40 -3.655 -8.807 -1.374 1.00 0.00 C ATOM 674 O GLU A 40 -4.674 -8.953 -0.700 1.00 0.00 O ATOM 675 CB GLU A 40 -3.768 -8.883 -3.865 1.00 0.00 C ATOM 676 CG GLU A 40 -4.245 -8.195 -5.136 1.00 0.00 C ATOM 677 CD GLU A 40 -5.749 -8.007 -5.167 1.00 0.00 C ATOM 678 OE1 GLU A 40 -6.419 -8.342 -4.168 1.00 0.00 O ATOM 679 OE2 GLU A 40 -6.280 -7.546 -6.201 1.00 0.00 O ATOM 0 H GLU A 40 -1.970 -7.241 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.540 -7.300 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.788 -9.323 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.447 -9.703 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.759 -7.223 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.938 -8.784 -6.001 1.00 0.00 H new ATOM 686 N THR A 41 -2.497 -9.359 -1.050 1.00 0.00 N ATOM 687 CA THR A 41 -2.393 -10.320 0.035 1.00 0.00 C ATOM 688 C THR A 41 -2.166 -9.668 1.400 1.00 0.00 C ATOM 689 O THR A 41 -2.677 -10.156 2.408 1.00 0.00 O ATOM 690 CB THR A 41 -1.270 -11.334 -0.241 1.00 0.00 C ATOM 691 OG1 THR A 41 -0.105 -10.651 -0.722 1.00 0.00 O ATOM 692 CG2 THR A 41 -1.715 -12.370 -1.262 1.00 0.00 C ATOM 0 H THR A 41 -1.616 -9.158 -1.523 1.00 0.00 H new ATOM 0 HA THR A 41 -3.355 -10.831 0.075 1.00 0.00 H new ATOM 0 HB THR A 41 -1.033 -11.846 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.205 -10.468 -1.680 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.904 -13.076 -1.441 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.585 -12.905 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.975 -11.872 -2.196 1.00 0.00 H new ATOM 700 N TYR A 42 -1.414 -8.571 1.442 1.00 0.00 N ATOM 701 CA TYR A 42 -1.048 -7.967 2.721 1.00 0.00 C ATOM 702 C TYR A 42 -1.750 -6.633 2.968 1.00 0.00 C ATOM 703 O TYR A 42 -2.330 -6.421 4.029 1.00 0.00 O ATOM 704 CB TYR A 42 0.465 -7.764 2.806 1.00 0.00 C ATOM 705 CG TYR A 42 1.260 -9.049 2.781 1.00 0.00 C ATOM 706 CD1 TYR A 42 1.278 -9.900 3.881 1.00 0.00 C ATOM 707 CD2 TYR A 42 1.993 -9.413 1.659 1.00 0.00 C ATOM 708 CE1 TYR A 42 2.002 -11.074 3.860 1.00 0.00 C ATOM 709 CE2 TYR A 42 2.718 -10.587 1.630 1.00 0.00 C ATOM 710 CZ TYR A 42 2.719 -11.414 2.735 1.00 0.00 C ATOM 711 OH TYR A 42 3.436 -12.589 2.713 1.00 0.00 O ATOM 0 H TYR A 42 -1.051 -8.088 0.620 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.376 -8.663 3.493 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.784 -7.135 1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.698 -7.223 3.723 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.716 -9.638 4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.996 -8.766 0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.006 -11.724 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.281 -10.857 0.749 1.00 0.00 H new ATOM 0 HH TYR A 42 3.885 -12.682 1.847 1.00 0.00 H new ATOM 721 N LEU A 43 -1.713 -5.745 1.987 1.00 0.00 N ATOM 722 CA LEU A 43 -2.124 -4.359 2.199 1.00 0.00 C ATOM 723 C LEU A 43 -3.587 -4.131 1.806 1.00 0.00 C ATOM 724 O LEU A 43 -4.018 -2.998 1.617 1.00 0.00 O ATOM 725 CB LEU A 43 -1.207 -3.427 1.402 1.00 0.00 C ATOM 726 CG LEU A 43 -1.180 -1.970 1.873 1.00 0.00 C ATOM 727 CD1 LEU A 43 -0.668 -1.884 3.303 1.00 0.00 C ATOM 728 CD2 LEU A 43 -0.315 -1.130 0.946 1.00 0.00 C ATOM 0 H LEU A 43 -1.404 -5.955 1.038 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.038 -4.139 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.192 -3.823 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.516 -3.447 0.357 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.197 -1.578 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.655 -0.842 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.323 -2.457 3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.342 -2.292 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.306 -0.097 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.702 -1.521 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.721 -1.169 -0.065 1.00 0.00 H new ATOM 740 N PHE A 44 -4.351 -5.207 1.697 1.00 0.00 N ATOM 741 CA PHE A 44 -5.771 -5.105 1.358 1.00 0.00 C ATOM 742 C PHE A 44 -6.701 -5.667 2.445 1.00 0.00 C ATOM 743 O PHE A 44 -7.665 -4.998 2.811 1.00 0.00 O ATOM 744 CB PHE A 44 -6.076 -5.789 0.020 1.00 0.00 C ATOM 745 CG PHE A 44 -5.830 -4.919 -1.182 1.00 0.00 C ATOM 746 CD1 PHE A 44 -5.532 -3.574 -1.036 1.00 0.00 C ATOM 747 CD2 PHE A 44 -5.903 -5.448 -2.459 1.00 0.00 C ATOM 748 CE1 PHE A 44 -5.310 -2.775 -2.138 1.00 0.00 C ATOM 749 CE2 PHE A 44 -5.683 -4.653 -3.567 1.00 0.00 C ATOM 750 CZ PHE A 44 -5.386 -3.315 -3.405 1.00 0.00 C ATOM 0 H PHE A 44 -4.017 -6.161 1.837 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.973 -4.037 1.278 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.466 -6.688 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.118 -6.109 0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.473 -3.146 -0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.135 -6.495 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.077 -1.728 -2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.743 -5.078 -4.558 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.213 -2.691 -4.270 1.00 0.00 H new ATOM 760 N PRO A 45 -6.439 -6.883 2.986 1.00 0.00 N ATOM 761 CA PRO A 45 -7.368 -7.563 3.909 1.00 0.00 C ATOM 762 C PRO A 45 -7.928 -6.662 5.012 1.00 0.00 C ATOM 763 O PRO A 45 -9.135 -6.662 5.272 1.00 0.00 O ATOM 764 CB PRO A 45 -6.508 -8.665 4.520 1.00 0.00 C ATOM 765 CG PRO A 45 -5.522 -8.994 3.460 1.00 0.00 C ATOM 766 CD PRO A 45 -5.229 -7.700 2.752 1.00 0.00 C ATOM 0 HA PRO A 45 -8.253 -7.913 3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.014 -8.325 5.430 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.108 -9.535 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.614 -9.418 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.924 -9.735 2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.338 -7.218 3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.054 -7.858 1.688 1.00 0.00 H new ATOM 774 N ASP A 46 -7.062 -5.888 5.647 1.00 0.00 N ATOM 775 CA ASP A 46 -7.470 -5.060 6.777 1.00 0.00 C ATOM 776 C ASP A 46 -8.054 -3.726 6.314 1.00 0.00 C ATOM 777 O ASP A 46 -9.233 -3.441 6.532 1.00 0.00 O ATOM 778 CB ASP A 46 -6.278 -4.808 7.703 1.00 0.00 C ATOM 779 CG ASP A 46 -6.690 -4.147 9.005 1.00 0.00 C ATOM 780 OD1 ASP A 46 -6.793 -2.905 9.043 1.00 0.00 O ATOM 781 OD2 ASP A 46 -6.920 -4.875 9.996 1.00 0.00 O ATOM 0 H ASP A 46 -6.075 -5.814 5.402 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.246 -5.600 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.783 -5.754 7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.551 -4.177 7.192 1.00 0.00 H new ATOM 786 N ILE A 47 -7.232 -2.934 5.646 1.00 0.00 N ATOM 787 CA ILE A 47 -7.577 -1.555 5.308 1.00 0.00 C ATOM 788 C ILE A 47 -8.491 -1.447 4.087 1.00 0.00 C ATOM 789 O ILE A 47 -9.206 -0.459 3.930 1.00 0.00 O ATOM 790 CB ILE A 47 -6.302 -0.733 5.056 1.00 0.00 C ATOM 791 CG1 ILE A 47 -5.362 -1.503 4.125 1.00 0.00 C ATOM 792 CG2 ILE A 47 -5.611 -0.400 6.371 1.00 0.00 C ATOM 793 CD1 ILE A 47 -4.014 -0.850 3.933 1.00 0.00 C ATOM 0 H ILE A 47 -6.309 -3.223 5.322 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.124 -1.159 6.163 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.576 0.206 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.214 -2.506 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.842 -1.614 3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.711 0.182 6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.286 0.180 7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.340 -1.323 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.408 -1.457 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.148 0.143 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.511 -0.763 4.896 1.00 0.00 H new ATOM 805 N GLY A 48 -8.481 -2.463 3.236 1.00 0.00 N ATOM 806 CA GLY A 48 -9.244 -2.409 2.001 1.00 0.00 C ATOM 807 C GLY A 48 -10.743 -2.420 2.226 1.00 0.00 C ATOM 808 O GLY A 48 -11.503 -1.914 1.399 1.00 0.00 O ATOM 0 H GLY A 48 -7.957 -3.327 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.972 -1.507 1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.971 -3.258 1.375 1.00 0.00 H new ATOM 812 N ASN A 49 -11.169 -2.988 3.345 1.00 0.00 N ATOM 813 CA ASN A 49 -12.591 -3.091 3.659 1.00 0.00 C ATOM 814 C ASN A 49 -13.010 -1.951 4.585 1.00 0.00 C ATOM 815 O ASN A 49 -14.166 -1.845 4.990 1.00 0.00 O ATOM 816 CB ASN A 49 -12.882 -4.452 4.306 1.00 0.00 C ATOM 817 CG ASN A 49 -14.362 -4.789 4.359 1.00 0.00 C ATOM 818 OD1 ASN A 49 -14.931 -5.295 3.389 1.00 0.00 O ATOM 819 ND2 ASN A 49 -14.991 -4.542 5.495 1.00 0.00 N ATOM 0 H ASN A 49 -10.551 -3.386 4.053 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.169 -3.012 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -12.359 -5.230 3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.479 -4.459 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.980 -4.771 5.590 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -14.487 -4.122 6.276 1.00 0.00 H new ATOM 826 N LYS A 50 -12.060 -1.088 4.908 1.00 0.00 N ATOM 827 CA LYS A 50 -12.315 0.036 5.793 1.00 0.00 C ATOM 828 C LYS A 50 -12.390 1.333 5.003 1.00 0.00 C ATOM 829 O LYS A 50 -11.749 1.471 3.959 1.00 0.00 O ATOM 830 CB LYS A 50 -11.209 0.157 6.844 1.00 0.00 C ATOM 831 CG LYS A 50 -11.134 -1.003 7.823 1.00 0.00 C ATOM 832 CD LYS A 50 -9.923 -0.865 8.733 1.00 0.00 C ATOM 833 CE LYS A 50 -9.865 -1.958 9.785 1.00 0.00 C ATOM 834 NZ LYS A 50 -8.626 -1.867 10.603 1.00 0.00 N ATOM 0 H LYS A 50 -11.100 -1.146 4.568 1.00 0.00 H new ATOM 0 HA LYS A 50 -13.269 -0.142 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.250 0.247 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.359 1.079 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.043 -1.038 8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.078 -1.944 7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.014 -0.894 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.949 0.108 9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.737 -1.884 10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.910 -2.933 9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.629 -2.619 11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.795 -1.979 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.587 -0.940 11.072 1.00 0.00 H new ATOM 848 N ASP A 51 -13.185 2.272 5.493 1.00 0.00 N ATOM 849 CA ASP A 51 -13.195 3.620 4.944 1.00 0.00 C ATOM 850 C ASP A 51 -11.905 4.319 5.341 1.00 0.00 C ATOM 851 O ASP A 51 -11.667 4.574 6.525 1.00 0.00 O ATOM 852 CB ASP A 51 -14.412 4.401 5.453 1.00 0.00 C ATOM 853 CG ASP A 51 -14.432 5.850 4.992 1.00 0.00 C ATOM 854 OD1 ASP A 51 -14.221 6.102 3.789 1.00 0.00 O ATOM 855 OD2 ASP A 51 -14.695 6.739 5.832 1.00 0.00 O ATOM 0 H ASP A 51 -13.831 2.126 6.269 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.264 3.572 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.321 3.906 5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.423 4.373 6.543 1.00 0.00 H new ATOM 860 N ILE A 52 -11.070 4.607 4.351 1.00 0.00 N ATOM 861 CA ILE A 52 -9.727 5.122 4.596 1.00 0.00 C ATOM 862 C ILE A 52 -9.766 6.467 5.320 1.00 0.00 C ATOM 863 O ILE A 52 -8.809 6.851 5.990 1.00 0.00 O ATOM 864 CB ILE A 52 -8.924 5.252 3.281 1.00 0.00 C ATOM 865 CG1 ILE A 52 -7.480 5.680 3.567 1.00 0.00 C ATOM 866 CG2 ILE A 52 -9.596 6.246 2.350 1.00 0.00 C ATOM 867 CD1 ILE A 52 -6.563 5.606 2.368 1.00 0.00 C ATOM 0 H ILE A 52 -11.300 4.492 3.364 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.223 4.400 5.239 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.901 4.277 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.484 6.702 3.945 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.076 5.049 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.020 6.328 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.605 5.903 2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.646 7.221 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.561 5.925 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.526 4.580 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.940 6.259 1.581 1.00 0.00 H new ATOM 879 N ALA A 53 -10.892 7.163 5.213 1.00 0.00 N ATOM 880 CA ALA A 53 -11.061 8.447 5.874 1.00 0.00 C ATOM 881 C ALA A 53 -10.916 8.314 7.388 1.00 0.00 C ATOM 882 O ALA A 53 -10.508 9.259 8.067 1.00 0.00 O ATOM 883 CB ALA A 53 -12.411 9.046 5.517 1.00 0.00 C ATOM 0 H ALA A 53 -11.702 6.857 4.673 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.275 9.116 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.526 10.007 6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.472 9.189 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.205 8.372 5.839 1.00 0.00 H new ATOM 889 N GLU A 54 -11.233 7.133 7.913 1.00 0.00 N ATOM 890 CA GLU A 54 -11.137 6.885 9.344 1.00 0.00 C ATOM 891 C GLU A 54 -9.958 5.975 9.673 1.00 0.00 C ATOM 892 O GLU A 54 -9.808 5.534 10.815 1.00 0.00 O ATOM 893 CB GLU A 54 -12.422 6.248 9.868 1.00 0.00 C ATOM 894 CG GLU A 54 -13.660 7.106 9.686 1.00 0.00 C ATOM 895 CD GLU A 54 -14.865 6.512 10.380 1.00 0.00 C ATOM 896 OE1 GLU A 54 -15.475 5.576 9.824 1.00 0.00 O ATOM 897 OE2 GLU A 54 -15.190 6.957 11.500 1.00 0.00 O ATOM 0 H GLU A 54 -11.558 6.335 7.367 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.983 7.849 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.576 5.296 9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.299 6.028 10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.470 8.105 10.079 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.872 7.217 8.623 1.00 0.00 H new ATOM 904 N LEU A 55 -9.132 5.682 8.677 1.00 0.00 N ATOM 905 CA LEU A 55 -7.969 4.835 8.894 1.00 0.00 C ATOM 906 C LEU A 55 -6.901 5.587 9.666 1.00 0.00 C ATOM 907 O LEU A 55 -6.333 6.566 9.183 1.00 0.00 O ATOM 908 CB LEU A 55 -7.406 4.306 7.573 1.00 0.00 C ATOM 909 CG LEU A 55 -8.180 3.130 6.971 1.00 0.00 C ATOM 910 CD1 LEU A 55 -7.527 2.654 5.685 1.00 0.00 C ATOM 911 CD2 LEU A 55 -8.264 1.991 7.969 1.00 0.00 C ATOM 0 H LEU A 55 -9.245 6.015 7.720 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.289 3.976 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.389 5.121 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.372 3.999 7.732 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.189 3.470 6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.095 1.818 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.510 3.469 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.506 2.332 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.817 1.161 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.258 1.660 8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.777 2.332 8.868 1.00 0.00 H new ATOM 923 N ASP A 56 -6.649 5.125 10.877 1.00 0.00 N ATOM 924 CA ASP A 56 -5.704 5.774 11.765 1.00 0.00 C ATOM 925 C ASP A 56 -4.293 5.293 11.462 1.00 0.00 C ATOM 926 O ASP A 56 -4.110 4.313 10.734 1.00 0.00 O ATOM 927 CB ASP A 56 -6.069 5.459 13.223 1.00 0.00 C ATOM 928 CG ASP A 56 -5.305 6.305 14.222 1.00 0.00 C ATOM 929 OD1 ASP A 56 -4.207 5.888 14.652 1.00 0.00 O ATOM 930 OD2 ASP A 56 -5.803 7.391 14.579 1.00 0.00 O ATOM 0 H ASP A 56 -7.091 4.294 11.270 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.746 6.852 11.612 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.138 5.615 13.366 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.872 4.406 13.422 1.00 0.00 H new ATOM 935 N THR A 57 -3.302 5.983 12.013 1.00 0.00 N ATOM 936 CA THR A 57 -1.918 5.555 11.910 1.00 0.00 C ATOM 937 C THR A 57 -1.792 4.104 12.367 1.00 0.00 C ATOM 938 O THR A 57 -1.112 3.299 11.733 1.00 0.00 O ATOM 939 CB THR A 57 -1.001 6.453 12.762 1.00 0.00 C ATOM 940 OG1 THR A 57 -1.259 7.833 12.465 1.00 0.00 O ATOM 941 CG2 THR A 57 0.465 6.149 12.493 1.00 0.00 C ATOM 0 H THR A 57 -3.436 6.847 12.539 1.00 0.00 H new ATOM 0 HA THR A 57 -1.608 5.637 10.868 1.00 0.00 H new ATOM 0 HB THR A 57 -1.213 6.252 13.812 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.675 8.400 13.011 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.090 6.797 13.108 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.672 5.107 12.738 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.686 6.324 11.440 1.00 0.00 H new ATOM 949 N GLY A 58 -2.500 3.774 13.445 1.00 0.00 N ATOM 950 CA GLY A 58 -2.489 2.421 13.965 1.00 0.00 C ATOM 951 C GLY A 58 -3.071 1.415 12.988 1.00 0.00 C ATOM 952 O GLY A 58 -2.533 0.320 12.832 1.00 0.00 O ATOM 0 H GLY A 58 -3.084 4.426 13.969 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.465 2.137 14.206 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.056 2.389 14.895 1.00 0.00 H new ATOM 956 N ASP A 59 -4.159 1.796 12.316 1.00 0.00 N ATOM 957 CA ASP A 59 -4.829 0.913 11.354 1.00 0.00 C ATOM 958 C ASP A 59 -3.882 0.494 10.242 1.00 0.00 C ATOM 959 O ASP A 59 -3.841 -0.668 9.858 1.00 0.00 O ATOM 960 CB ASP A 59 -6.055 1.591 10.729 1.00 0.00 C ATOM 961 CG ASP A 59 -7.274 1.573 11.627 1.00 0.00 C ATOM 962 OD1 ASP A 59 -7.940 0.517 11.715 1.00 0.00 O ATOM 963 OD2 ASP A 59 -7.584 2.619 12.237 1.00 0.00 O ATOM 0 H ASP A 59 -4.597 2.711 12.419 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.151 0.032 11.909 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.806 2.624 10.487 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.297 1.093 9.790 1.00 0.00 H new ATOM 968 N LEU A 60 -3.125 1.450 9.729 1.00 0.00 N ATOM 969 CA LEU A 60 -2.186 1.186 8.647 1.00 0.00 C ATOM 970 C LEU A 60 -0.941 0.478 9.172 1.00 0.00 C ATOM 971 O LEU A 60 -0.279 -0.282 8.452 1.00 0.00 O ATOM 972 CB LEU A 60 -1.821 2.501 7.962 1.00 0.00 C ATOM 973 CG LEU A 60 -2.996 3.199 7.272 1.00 0.00 C ATOM 974 CD1 LEU A 60 -2.695 4.668 7.050 1.00 0.00 C ATOM 975 CD2 LEU A 60 -3.315 2.519 5.949 1.00 0.00 C ATOM 0 H LEU A 60 -3.141 2.420 10.045 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.655 0.525 7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.396 3.178 8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.043 2.309 7.223 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.867 3.123 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.544 5.143 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.514 5.152 8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.810 4.767 6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.153 3.027 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.443 2.565 5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.578 1.477 6.130 1.00 0.00 H new ATOM 987 N LEU A 61 -0.635 0.708 10.438 1.00 0.00 N ATOM 988 CA LEU A 61 0.494 0.051 11.070 1.00 0.00 C ATOM 989 C LEU A 61 0.208 -1.426 11.302 1.00 0.00 C ATOM 990 O LEU A 61 1.132 -2.207 11.480 1.00 0.00 O ATOM 991 CB LEU A 61 0.858 0.726 12.392 1.00 0.00 C ATOM 992 CG LEU A 61 1.544 2.087 12.267 1.00 0.00 C ATOM 993 CD1 LEU A 61 1.855 2.648 13.645 1.00 0.00 C ATOM 994 CD2 LEU A 61 2.815 1.972 11.437 1.00 0.00 C ATOM 0 H LEU A 61 -1.152 1.343 11.046 1.00 0.00 H new ATOM 0 HA LEU A 61 1.343 0.139 10.392 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.052 0.849 12.980 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.512 0.059 12.953 1.00 0.00 H new ATOM 0 HG LEU A 61 0.866 2.772 11.758 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.343 3.617 13.542 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.929 2.766 14.207 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.516 1.963 14.176 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.289 2.951 11.359 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.501 1.274 11.917 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.567 1.609 10.440 1.00 0.00 H new ATOM 1006 N VAL A 62 -1.066 -1.810 11.300 1.00 0.00 N ATOM 1007 CA VAL A 62 -1.427 -3.216 11.457 1.00 0.00 C ATOM 1008 C VAL A 62 -0.842 -4.066 10.317 1.00 0.00 C ATOM 1009 O VAL A 62 -0.051 -4.972 10.581 1.00 0.00 O ATOM 1010 CB VAL A 62 -2.956 -3.432 11.551 1.00 0.00 C ATOM 1011 CG1 VAL A 62 -3.282 -4.911 11.702 1.00 0.00 C ATOM 1012 CG2 VAL A 62 -3.540 -2.645 12.713 1.00 0.00 C ATOM 0 H VAL A 62 -1.857 -1.176 11.193 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.994 -3.541 12.403 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.405 -3.070 10.626 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.362 -5.041 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.902 -5.457 10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.816 -5.296 12.609 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.616 -2.811 12.761 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.080 -2.976 13.644 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.343 -1.583 12.568 1.00 0.00 H new ATOM 1022 N PRO A 63 -1.200 -3.794 9.037 1.00 0.00 N ATOM 1023 CA PRO A 63 -0.623 -4.514 7.896 1.00 0.00 C ATOM 1024 C PRO A 63 0.891 -4.333 7.797 1.00 0.00 C ATOM 1025 O PRO A 63 1.606 -5.264 7.425 1.00 0.00 O ATOM 1026 CB PRO A 63 -1.320 -3.908 6.671 1.00 0.00 C ATOM 1027 CG PRO A 63 -1.902 -2.622 7.142 1.00 0.00 C ATOM 1028 CD PRO A 63 -2.211 -2.814 8.597 1.00 0.00 C ATOM 0 HA PRO A 63 -0.776 -5.589 7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.613 -3.744 5.858 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.095 -4.574 6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.200 -1.801 6.998 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.803 -2.374 6.582 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.131 -1.879 9.151 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.224 -3.188 8.746 1.00 0.00 H new ATOM 1036 N ILE A 64 1.384 -3.141 8.129 1.00 0.00 N ATOM 1037 CA ILE A 64 2.827 -2.907 8.143 1.00 0.00 C ATOM 1038 C ILE A 64 3.509 -3.799 9.183 1.00 0.00 C ATOM 1039 O ILE A 64 4.459 -4.514 8.869 1.00 0.00 O ATOM 1040 CB ILE A 64 3.169 -1.424 8.414 1.00 0.00 C ATOM 1041 CG1 ILE A 64 2.695 -0.561 7.242 1.00 0.00 C ATOM 1042 CG2 ILE A 64 4.667 -1.245 8.639 1.00 0.00 C ATOM 1043 CD1 ILE A 64 2.907 0.924 7.452 1.00 0.00 C ATOM 0 H ILE A 64 0.816 -2.334 8.388 1.00 0.00 H new ATOM 0 HA ILE A 64 3.203 -3.161 7.152 1.00 0.00 H new ATOM 0 HB ILE A 64 2.654 -1.106 9.320 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.222 -0.870 6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.635 -0.747 7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.883 -0.194 8.828 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.980 -1.840 9.497 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.210 -1.574 7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.547 1.470 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.358 1.249 8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.969 1.124 7.592 1.00 0.00 H new ATOM 1055 N LYS A 65 2.998 -3.770 10.411 1.00 0.00 N ATOM 1056 CA LYS A 65 3.535 -4.581 11.503 1.00 0.00 C ATOM 1057 C LYS A 65 3.422 -6.064 11.165 1.00 0.00 C ATOM 1058 O LYS A 65 4.276 -6.871 11.536 1.00 0.00 O ATOM 1059 CB LYS A 65 2.765 -4.283 12.793 1.00 0.00 C ATOM 1060 CG LYS A 65 3.423 -4.806 14.057 1.00 0.00 C ATOM 1061 CD LYS A 65 2.543 -4.573 15.280 1.00 0.00 C ATOM 1062 CE LYS A 65 1.583 -5.730 15.531 1.00 0.00 C ATOM 1063 NZ LYS A 65 0.603 -5.913 14.427 1.00 0.00 N ATOM 0 H LYS A 65 2.204 -3.187 10.678 1.00 0.00 H new ATOM 0 HA LYS A 65 4.587 -4.332 11.643 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.639 -3.204 12.884 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.767 -4.715 12.713 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.625 -5.872 13.950 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.384 -4.313 14.199 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.174 -4.431 16.157 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.973 -3.654 15.145 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.154 -6.649 15.660 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.046 -5.555 16.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.189 -6.500 14.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.243 -4.985 14.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.068 -6.382 13.624 1.00 0.00 H new ATOM 1077 N LYS A 66 2.347 -6.403 10.463 1.00 0.00 N ATOM 1078 CA LYS A 66 2.099 -7.763 9.998 1.00 0.00 C ATOM 1079 C LYS A 66 3.288 -8.282 9.190 1.00 0.00 C ATOM 1080 O LYS A 66 3.755 -9.400 9.404 1.00 0.00 O ATOM 1081 CB LYS A 66 0.826 -7.771 9.144 1.00 0.00 C ATOM 1082 CG LYS A 66 0.417 -9.134 8.612 1.00 0.00 C ATOM 1083 CD LYS A 66 -0.782 -9.006 7.685 1.00 0.00 C ATOM 1084 CE LYS A 66 -1.254 -10.355 7.168 1.00 0.00 C ATOM 1085 NZ LYS A 66 -1.794 -11.215 8.255 1.00 0.00 N ATOM 0 H LYS A 66 1.619 -5.739 10.199 1.00 0.00 H new ATOM 0 HA LYS A 66 1.967 -8.421 10.857 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.006 -7.369 9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.969 -7.096 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.251 -9.587 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.173 -9.797 9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.599 -8.516 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.521 -8.367 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.023 -10.203 6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.424 -10.866 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.256 -12.049 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.016 -11.522 8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.487 -10.676 8.812 1.00 0.00 H new ATOM 1099 N ILE A 67 3.782 -7.455 8.275 1.00 0.00 N ATOM 1100 CA ILE A 67 4.924 -7.827 7.447 1.00 0.00 C ATOM 1101 C ILE A 67 6.232 -7.633 8.215 1.00 0.00 C ATOM 1102 O ILE A 67 7.167 -8.428 8.084 1.00 0.00 O ATOM 1103 CB ILE A 67 4.966 -7.004 6.145 1.00 0.00 C ATOM 1104 CG1 ILE A 67 3.598 -7.028 5.460 1.00 0.00 C ATOM 1105 CG2 ILE A 67 6.035 -7.555 5.211 1.00 0.00 C ATOM 1106 CD1 ILE A 67 3.498 -6.104 4.268 1.00 0.00 C ATOM 0 H ILE A 67 3.410 -6.524 8.088 1.00 0.00 H new ATOM 0 HA ILE A 67 4.809 -8.880 7.189 1.00 0.00 H new ATOM 0 HB ILE A 67 5.214 -5.971 6.390 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.381 -8.046 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.833 -6.753 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.056 -6.966 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.008 -7.501 5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.807 -8.593 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.500 -6.175 3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.683 -5.078 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.239 -6.391 3.522 1.00 0.00 H new ATOM 1118 N GLU A 68 6.280 -6.578 9.025 1.00 0.00 N ATOM 1119 CA GLU A 68 7.433 -6.293 9.877 1.00 0.00 C ATOM 1120 C GLU A 68 7.816 -7.507 10.716 1.00 0.00 C ATOM 1121 O GLU A 68 8.986 -7.881 10.786 1.00 0.00 O ATOM 1122 CB GLU A 68 7.126 -5.111 10.800 1.00 0.00 C ATOM 1123 CG GLU A 68 7.416 -3.751 10.189 1.00 0.00 C ATOM 1124 CD GLU A 68 8.900 -3.463 10.114 1.00 0.00 C ATOM 1125 OE1 GLU A 68 9.551 -3.429 11.180 1.00 0.00 O ATOM 1126 OE2 GLU A 68 9.421 -3.264 8.999 1.00 0.00 O ATOM 0 H GLU A 68 5.524 -5.899 9.110 1.00 0.00 H new ATOM 0 HA GLU A 68 8.273 -6.044 9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.075 -5.151 11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.709 -5.218 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.988 -3.706 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.927 -2.977 10.780 1.00 0.00 H new ATOM 1133 N LYS A 69 6.825 -8.125 11.343 1.00 0.00 N ATOM 1134 CA LYS A 69 7.071 -9.273 12.204 1.00 0.00 C ATOM 1135 C LYS A 69 6.879 -10.581 11.448 1.00 0.00 C ATOM 1136 O LYS A 69 6.910 -11.662 12.035 1.00 0.00 O ATOM 1137 CB LYS A 69 6.163 -9.221 13.433 1.00 0.00 C ATOM 1138 CG LYS A 69 6.380 -7.974 14.272 1.00 0.00 C ATOM 1139 CD LYS A 69 5.601 -8.025 15.573 1.00 0.00 C ATOM 1140 CE LYS A 69 5.848 -6.776 16.402 1.00 0.00 C ATOM 1141 NZ LYS A 69 5.273 -6.887 17.767 1.00 0.00 N ATOM 0 H LYS A 69 5.845 -7.851 11.272 1.00 0.00 H new ATOM 0 HA LYS A 69 8.109 -9.231 12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.122 -9.261 13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.341 -10.103 14.048 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.442 -7.863 14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.077 -7.096 13.702 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.536 -8.121 15.360 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.893 -8.908 16.142 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.921 -6.596 16.475 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.414 -5.914 15.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.465 -6.013 18.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.245 -7.032 17.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.705 -7.694 18.261 1.00 0.00 H new ATOM 1155 N LEU A 70 6.697 -10.479 10.139 1.00 0.00 N ATOM 1156 CA LEU A 70 6.592 -11.655 9.285 1.00 0.00 C ATOM 1157 C LEU A 70 7.988 -12.191 8.986 1.00 0.00 C ATOM 1158 O LEU A 70 8.162 -13.352 8.613 1.00 0.00 O ATOM 1159 CB LEU A 70 5.866 -11.300 7.983 1.00 0.00 C ATOM 1160 CG LEU A 70 5.613 -12.464 7.022 1.00 0.00 C ATOM 1161 CD1 LEU A 70 4.683 -13.487 7.652 1.00 0.00 C ATOM 1162 CD2 LEU A 70 5.034 -11.952 5.712 1.00 0.00 C ATOM 0 H LEU A 70 6.619 -9.591 9.643 1.00 0.00 H new ATOM 0 HA LEU A 70 6.017 -12.425 9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.907 -10.847 8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.448 -10.542 7.460 1.00 0.00 H new ATOM 0 HG LEU A 70 6.565 -12.952 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.516 -14.306 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.134 -13.876 8.565 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.730 -13.014 7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.859 -12.791 5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.091 -11.440 5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.736 -11.257 5.251 1.00 0.00 H new ATOM 1174 N GLY A 71 8.980 -11.330 9.168 1.00 0.00 N ATOM 1175 CA GLY A 71 10.354 -11.719 8.934 1.00 0.00 C ATOM 1176 C GLY A 71 10.849 -11.287 7.571 1.00 0.00 C ATOM 1177 O GLY A 71 11.829 -11.830 7.062 1.00 0.00 O ATOM 0 H GLY A 71 8.855 -10.365 9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.989 -11.282 9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.443 -12.802 9.024 1.00 0.00 H new ATOM 1181 N TYR A 72 10.165 -10.319 6.973 1.00 0.00 N ATOM 1182 CA TYR A 72 10.557 -9.797 5.672 1.00 0.00 C ATOM 1183 C TYR A 72 10.600 -8.273 5.710 1.00 0.00 C ATOM 1184 O TYR A 72 9.607 -7.600 5.424 1.00 0.00 O ATOM 1185 CB TYR A 72 9.600 -10.280 4.578 1.00 0.00 C ATOM 1186 CG TYR A 72 9.569 -11.785 4.421 1.00 0.00 C ATOM 1187 CD1 TYR A 72 10.632 -12.465 3.839 1.00 0.00 C ATOM 1188 CD2 TYR A 72 8.477 -12.525 4.852 1.00 0.00 C ATOM 1189 CE1 TYR A 72 10.607 -13.838 3.693 1.00 0.00 C ATOM 1190 CE2 TYR A 72 8.445 -13.899 4.711 1.00 0.00 C ATOM 1191 CZ TYR A 72 9.512 -14.551 4.130 1.00 0.00 C ATOM 1192 OH TYR A 72 9.481 -15.920 3.981 1.00 0.00 O ATOM 0 H TYR A 72 9.335 -9.880 7.370 1.00 0.00 H new ATOM 0 HA TYR A 72 11.553 -10.171 5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.594 -9.926 4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.890 -9.830 3.629 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.492 -11.910 3.495 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.638 -12.018 5.305 1.00 0.00 H new ATOM 0 HE1 TYR A 72 11.442 -14.351 3.238 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.588 -14.460 5.054 1.00 0.00 H new ATOM 0 HH TYR A 72 8.639 -16.269 4.342 1.00 0.00 H new ATOM 1202 N LEU A 73 11.758 -7.742 6.078 1.00 0.00 N ATOM 1203 CA LEU A 73 11.927 -6.305 6.267 1.00 0.00 C ATOM 1204 C LEU A 73 11.871 -5.559 4.942 1.00 0.00 C ATOM 1205 O LEU A 73 11.265 -4.493 4.851 1.00 0.00 O ATOM 1206 CB LEU A 73 13.252 -6.020 6.975 1.00 0.00 C ATOM 1207 CG LEU A 73 13.369 -6.611 8.381 1.00 0.00 C ATOM 1208 CD1 LEU A 73 14.746 -6.338 8.960 1.00 0.00 C ATOM 1209 CD2 LEU A 73 12.288 -6.040 9.287 1.00 0.00 C ATOM 0 H LEU A 73 12.601 -8.289 6.253 1.00 0.00 H new ATOM 0 HA LEU A 73 11.104 -5.950 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 73 14.066 -6.410 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.389 -4.941 7.037 1.00 0.00 H new ATOM 0 HG LEU A 73 13.232 -7.690 8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 73 14.811 -6.766 9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 73 15.505 -6.790 8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 73 14.911 -5.262 9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 73 12.384 -6.470 10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.398 -4.957 9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.306 -6.283 8.880 1.00 0.00 H new ATOM 1221 N GLU A 74 12.492 -6.128 3.916 1.00 0.00 N ATOM 1222 CA GLU A 74 12.501 -5.511 2.595 1.00 0.00 C ATOM 1223 C GLU A 74 11.081 -5.352 2.081 1.00 0.00 C ATOM 1224 O GLU A 74 10.701 -4.290 1.593 1.00 0.00 O ATOM 1225 CB GLU A 74 13.316 -6.355 1.620 1.00 0.00 C ATOM 1226 CG GLU A 74 14.783 -6.450 1.989 1.00 0.00 C ATOM 1227 CD GLU A 74 15.466 -7.621 1.324 1.00 0.00 C ATOM 1228 OE1 GLU A 74 15.206 -8.767 1.742 1.00 0.00 O ATOM 1229 OE2 GLU A 74 16.260 -7.407 0.386 1.00 0.00 O ATOM 0 H GLU A 74 12.995 -7.014 3.973 1.00 0.00 H new ATOM 0 HA GLU A 74 12.961 -4.526 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.893 -7.359 1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.227 -5.930 0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.288 -5.527 1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.878 -6.543 3.071 1.00 0.00 H new ATOM 1236 N ILE A 75 10.296 -6.413 2.220 1.00 0.00 N ATOM 1237 CA ILE A 75 8.901 -6.394 1.805 1.00 0.00 C ATOM 1238 C ILE A 75 8.135 -5.314 2.565 1.00 0.00 C ATOM 1239 O ILE A 75 7.419 -4.516 1.963 1.00 0.00 O ATOM 1240 CB ILE A 75 8.223 -7.767 2.028 1.00 0.00 C ATOM 1241 CG1 ILE A 75 8.976 -8.866 1.269 1.00 0.00 C ATOM 1242 CG2 ILE A 75 6.761 -7.726 1.595 1.00 0.00 C ATOM 1243 CD1 ILE A 75 9.007 -8.670 -0.233 1.00 0.00 C ATOM 0 H ILE A 75 10.604 -7.300 2.619 1.00 0.00 H new ATOM 0 HA ILE A 75 8.880 -6.172 0.738 1.00 0.00 H new ATOM 0 HB ILE A 75 8.257 -7.995 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.000 -8.913 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.513 -9.828 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.305 -8.702 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.230 -6.973 2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.702 -7.473 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.558 -9.489 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.988 -8.655 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.498 -7.725 -0.467 1.00 0.00 H new ATOM 1255 N ALA A 76 8.322 -5.278 3.881 1.00 0.00 N ATOM 1256 CA ALA A 76 7.658 -4.296 4.732 1.00 0.00 C ATOM 1257 C ALA A 76 8.020 -2.873 4.324 1.00 0.00 C ATOM 1258 O ALA A 76 7.145 -2.024 4.178 1.00 0.00 O ATOM 1259 CB ALA A 76 8.016 -4.536 6.190 1.00 0.00 C ATOM 0 H ALA A 76 8.932 -5.922 4.384 1.00 0.00 H new ATOM 0 HA ALA A 76 6.582 -4.415 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.514 -3.797 6.814 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.696 -5.536 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.095 -4.448 6.319 1.00 0.00 H new ATOM 1265 N MET A 77 9.310 -2.617 4.134 1.00 0.00 N ATOM 1266 CA MET A 77 9.775 -1.289 3.740 1.00 0.00 C ATOM 1267 C MET A 77 9.242 -0.901 2.364 1.00 0.00 C ATOM 1268 O MET A 77 8.916 0.259 2.122 1.00 0.00 O ATOM 1269 CB MET A 77 11.305 -1.224 3.729 1.00 0.00 C ATOM 1270 CG MET A 77 11.945 -1.429 5.093 1.00 0.00 C ATOM 1271 SD MET A 77 13.734 -1.190 5.066 1.00 0.00 S ATOM 1272 CE MET A 77 14.236 -2.478 3.926 1.00 0.00 C ATOM 0 H MET A 77 10.051 -3.308 4.246 1.00 0.00 H new ATOM 0 HA MET A 77 9.393 -0.583 4.477 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.685 -1.982 3.044 1.00 0.00 H new ATOM 0 HB3 MET A 77 11.614 -0.255 3.337 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.501 -0.735 5.806 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.722 -2.436 5.447 1.00 0.00 H new ATOM 0 HE1 MET A 77 15.323 -2.563 3.928 1.00 0.00 H new ATOM 0 HE2 MET A 77 13.798 -3.427 4.234 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.894 -2.229 2.922 1.00 0.00 H new ATOM 1282 N ARG A 78 9.156 -1.870 1.462 1.00 0.00 N ATOM 1283 CA ARG A 78 8.657 -1.604 0.119 1.00 0.00 C ATOM 1284 C ARG A 78 7.153 -1.359 0.139 1.00 0.00 C ATOM 1285 O ARG A 78 6.665 -0.447 -0.523 1.00 0.00 O ATOM 1286 CB ARG A 78 9.011 -2.751 -0.829 1.00 0.00 C ATOM 1287 CG ARG A 78 10.506 -2.875 -1.082 1.00 0.00 C ATOM 1288 CD ARG A 78 10.831 -4.057 -1.978 1.00 0.00 C ATOM 1289 NE ARG A 78 12.274 -4.244 -2.127 1.00 0.00 N ATOM 1290 CZ ARG A 78 12.837 -5.367 -2.568 1.00 0.00 C ATOM 1291 NH1 ARG A 78 12.077 -6.382 -2.958 1.00 0.00 N ATOM 1292 NH2 ARG A 78 14.160 -5.468 -2.641 1.00 0.00 N ATOM 0 H ARG A 78 9.423 -2.839 1.633 1.00 0.00 H new ATOM 0 HA ARG A 78 9.141 -0.700 -0.250 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.640 -3.687 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.499 -2.601 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.874 -1.958 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.027 -2.986 -0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.388 -4.962 -1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.381 -3.904 -2.959 1.00 0.00 H new ATOM 0 HE ARG A 78 12.886 -3.467 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.061 -6.302 -2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.509 -7.242 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.748 -4.684 -2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 78 14.588 -6.330 -2.979 1.00 0.00 H new ATOM 1306 N VAL A 79 6.422 -2.161 0.912 1.00 0.00 N ATOM 1307 CA VAL A 79 4.983 -1.960 1.079 1.00 0.00 C ATOM 1308 C VAL A 79 4.723 -0.624 1.770 1.00 0.00 C ATOM 1309 O VAL A 79 3.764 0.080 1.451 1.00 0.00 O ATOM 1310 CB VAL A 79 4.330 -3.115 1.878 1.00 0.00 C ATOM 1311 CG1 VAL A 79 2.873 -2.810 2.193 1.00 0.00 C ATOM 1312 CG2 VAL A 79 4.436 -4.421 1.102 1.00 0.00 C ATOM 0 H VAL A 79 6.801 -2.953 1.431 1.00 0.00 H new ATOM 0 HA VAL A 79 4.529 -1.951 0.088 1.00 0.00 H new ATOM 0 HB VAL A 79 4.867 -3.217 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.441 -3.638 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.812 -1.898 2.787 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.320 -2.674 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.973 -5.224 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.925 -4.318 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.486 -4.657 0.929 1.00 0.00 H new ATOM 1322 N LYS A 80 5.606 -0.282 2.704 1.00 0.00 N ATOM 1323 CA LYS A 80 5.611 1.026 3.348 1.00 0.00 C ATOM 1324 C LYS A 80 5.619 2.135 2.297 1.00 0.00 C ATOM 1325 O LYS A 80 4.858 3.097 2.388 1.00 0.00 O ATOM 1326 CB LYS A 80 6.849 1.132 4.251 1.00 0.00 C ATOM 1327 CG LYS A 80 7.148 2.521 4.800 1.00 0.00 C ATOM 1328 CD LYS A 80 6.242 2.901 5.959 1.00 0.00 C ATOM 1329 CE LYS A 80 6.841 4.057 6.749 1.00 0.00 C ATOM 1330 NZ LYS A 80 5.964 4.496 7.869 1.00 0.00 N ATOM 0 H LYS A 80 6.340 -0.907 3.036 1.00 0.00 H new ATOM 0 HA LYS A 80 4.711 1.140 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.723 0.449 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.717 0.789 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.187 2.562 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.037 3.255 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.258 3.182 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.099 2.041 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.811 3.757 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.018 4.898 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.416 5.284 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.047 4.808 7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.816 3.703 8.525 1.00 0.00 H new ATOM 1344 N GLN A 81 6.461 1.973 1.282 1.00 0.00 N ATOM 1345 CA GLN A 81 6.602 2.978 0.237 1.00 0.00 C ATOM 1346 C GLN A 81 5.423 2.938 -0.731 1.00 0.00 C ATOM 1347 O GLN A 81 4.933 3.987 -1.149 1.00 0.00 O ATOM 1348 CB GLN A 81 7.922 2.794 -0.512 1.00 0.00 C ATOM 1349 CG GLN A 81 9.137 2.846 0.402 1.00 0.00 C ATOM 1350 CD GLN A 81 9.164 4.094 1.267 1.00 0.00 C ATOM 1351 OE1 GLN A 81 8.715 5.163 0.853 1.00 0.00 O ATOM 1352 NE2 GLN A 81 9.670 3.958 2.483 1.00 0.00 N ATOM 0 H GLN A 81 7.057 1.154 1.162 1.00 0.00 H new ATOM 0 HA GLN A 81 6.609 3.958 0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.907 1.837 -1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.013 3.570 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.143 1.964 1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.043 2.807 -0.202 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.032 3.054 2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.698 4.757 3.116 1.00 0.00 H new ATOM 1361 N TYR A 82 4.974 1.732 -1.089 1.00 0.00 N ATOM 1362 CA TYR A 82 3.766 1.580 -1.901 1.00 0.00 C ATOM 1363 C TYR A 82 2.610 2.327 -1.245 1.00 0.00 C ATOM 1364 O TYR A 82 1.943 3.147 -1.874 1.00 0.00 O ATOM 1365 CB TYR A 82 3.361 0.106 -2.056 1.00 0.00 C ATOM 1366 CG TYR A 82 4.422 -0.812 -2.633 1.00 0.00 C ATOM 1367 CD1 TYR A 82 5.342 -0.368 -3.575 1.00 0.00 C ATOM 1368 CD2 TYR A 82 4.493 -2.138 -2.224 1.00 0.00 C ATOM 1369 CE1 TYR A 82 6.301 -1.223 -4.091 1.00 0.00 C ATOM 1370 CE2 TYR A 82 5.446 -2.996 -2.735 1.00 0.00 C ATOM 1371 CZ TYR A 82 6.348 -2.535 -3.666 1.00 0.00 C ATOM 1372 OH TYR A 82 7.297 -3.393 -4.178 1.00 0.00 O ATOM 0 H TYR A 82 5.425 0.854 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 82 3.985 1.988 -2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.070 -0.276 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.478 0.056 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.309 0.658 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.789 -2.505 -1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.009 -0.865 -4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.483 -4.024 -2.406 1.00 0.00 H new ATOM 0 HH TYR A 82 7.833 -2.924 -4.851 1.00 0.00 H new ATOM 1382 N ALA A 83 2.401 2.042 0.039 1.00 0.00 N ATOM 1383 CA ALA A 83 1.333 2.662 0.808 1.00 0.00 C ATOM 1384 C ALA A 83 1.513 4.172 0.878 1.00 0.00 C ATOM 1385 O ALA A 83 0.553 4.918 0.726 1.00 0.00 O ATOM 1386 CB ALA A 83 1.275 2.070 2.208 1.00 0.00 C ATOM 0 H ALA A 83 2.965 1.378 0.570 1.00 0.00 H new ATOM 0 HA ALA A 83 0.390 2.458 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.471 2.544 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.089 0.998 2.142 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.224 2.243 2.716 1.00 0.00 H new ATOM 1392 N THR A 84 2.748 4.614 1.098 1.00 0.00 N ATOM 1393 CA THR A 84 3.060 6.040 1.158 1.00 0.00 C ATOM 1394 C THR A 84 2.602 6.755 -0.115 1.00 0.00 C ATOM 1395 O THR A 84 2.008 7.837 -0.055 1.00 0.00 O ATOM 1396 CB THR A 84 4.572 6.271 1.369 1.00 0.00 C ATOM 1397 OG1 THR A 84 4.984 5.697 2.616 1.00 0.00 O ATOM 1398 CG2 THR A 84 4.916 7.752 1.361 1.00 0.00 C ATOM 0 H THR A 84 3.552 4.003 1.238 1.00 0.00 H new ATOM 0 HA THR A 84 2.521 6.455 2.009 1.00 0.00 H new ATOM 0 HB THR A 84 5.099 5.791 0.545 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.765 4.742 2.625 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.988 7.877 1.512 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.631 8.186 0.403 1.00 0.00 H new ATOM 0 HG23 THR A 84 4.375 8.255 2.162 1.00 0.00 H new ATOM 1406 N ALA A 85 2.858 6.131 -1.259 1.00 0.00 N ATOM 1407 CA ALA A 85 2.452 6.682 -2.545 1.00 0.00 C ATOM 1408 C ALA A 85 0.931 6.753 -2.648 1.00 0.00 C ATOM 1409 O ALA A 85 0.372 7.745 -3.119 1.00 0.00 O ATOM 1410 CB ALA A 85 3.022 5.842 -3.676 1.00 0.00 C ATOM 0 H ALA A 85 3.348 5.238 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 85 2.845 7.695 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.713 6.262 -4.633 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.110 5.840 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.652 4.820 -3.592 1.00 0.00 H new ATOM 1416 N ILE A 86 0.270 5.701 -2.184 1.00 0.00 N ATOM 1417 CA ILE A 86 -1.184 5.636 -2.205 1.00 0.00 C ATOM 1418 C ILE A 86 -1.785 6.660 -1.240 1.00 0.00 C ATOM 1419 O ILE A 86 -2.804 7.278 -1.537 1.00 0.00 O ATOM 1420 CB ILE A 86 -1.686 4.220 -1.845 1.00 0.00 C ATOM 1421 CG1 ILE A 86 -1.072 3.191 -2.798 1.00 0.00 C ATOM 1422 CG2 ILE A 86 -3.207 4.155 -1.903 1.00 0.00 C ATOM 1423 CD1 ILE A 86 -1.397 1.755 -2.447 1.00 0.00 C ATOM 0 H ILE A 86 0.721 4.877 -1.787 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.509 5.870 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.375 3.990 -0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.421 3.395 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.011 3.317 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.538 3.149 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.629 4.868 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.544 4.402 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.926 1.088 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.023 1.531 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.477 1.610 -2.471 1.00 0.00 H new ATOM 1435 N MET A 87 -1.139 6.848 -0.091 1.00 0.00 N ATOM 1436 CA MET A 87 -1.591 7.832 0.894 1.00 0.00 C ATOM 1437 C MET A 87 -1.459 9.243 0.335 1.00 0.00 C ATOM 1438 O MET A 87 -2.282 10.112 0.615 1.00 0.00 O ATOM 1439 CB MET A 87 -0.793 7.719 2.196 1.00 0.00 C ATOM 1440 CG MET A 87 -0.923 6.373 2.882 1.00 0.00 C ATOM 1441 SD MET A 87 0.069 6.258 4.383 1.00 0.00 S ATOM 1442 CE MET A 87 -0.058 4.502 4.718 1.00 0.00 C ATOM 0 H MET A 87 -0.302 6.333 0.182 1.00 0.00 H new ATOM 0 HA MET A 87 -2.639 7.626 1.111 1.00 0.00 H new ATOM 0 HB2 MET A 87 0.259 7.907 1.983 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.124 8.499 2.882 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.970 6.195 3.129 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.621 5.587 2.190 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.059 4.326 5.787 1.00 0.00 H new ATOM 0 HE2 MET A 87 -1.034 4.140 4.395 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.724 3.971 4.175 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.420 9.460 -0.461 1.00 0.00 N ATOM 1453 CA ARG A 88 -0.213 10.744 -1.119 1.00 0.00 C ATOM 1454 C ARG A 88 -1.374 11.017 -2.073 1.00 0.00 C ATOM 1455 O ARG A 88 -1.929 12.117 -2.115 1.00 0.00 O ATOM 1456 CB ARG A 88 1.116 10.726 -1.880 1.00 0.00 C ATOM 1457 CG ARG A 88 1.594 12.094 -2.336 1.00 0.00 C ATOM 1458 CD ARG A 88 2.894 11.985 -3.119 1.00 0.00 C ATOM 1459 NE ARG A 88 3.482 13.294 -3.397 1.00 0.00 N ATOM 1460 CZ ARG A 88 4.094 13.611 -4.537 1.00 0.00 C ATOM 1461 NH1 ARG A 88 4.197 12.717 -5.513 1.00 0.00 N ATOM 1462 NH2 ARG A 88 4.619 14.819 -4.691 1.00 0.00 N ATOM 0 H ARG A 88 0.294 8.762 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.175 11.538 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.880 10.281 -1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.013 10.081 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.830 12.562 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.740 12.739 -1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.606 11.381 -2.556 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.708 11.465 -4.059 1.00 0.00 H new ATOM 0 HE ARG A 88 3.420 14.010 -2.673 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.807 11.782 -5.392 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.667 12.965 -6.384 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.554 15.503 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.088 15.064 -5.563 1.00 0.00 H new ATOM 1476 N TYR A 89 -1.748 9.983 -2.814 1.00 0.00 N ATOM 1477 CA TYR A 89 -2.882 10.043 -3.725 1.00 0.00 C ATOM 1478 C TYR A 89 -4.188 10.175 -2.935 1.00 0.00 C ATOM 1479 O TYR A 89 -5.150 10.796 -3.392 1.00 0.00 O ATOM 1480 CB TYR A 89 -2.887 8.778 -4.595 1.00 0.00 C ATOM 1481 CG TYR A 89 -3.986 8.721 -5.633 1.00 0.00 C ATOM 1482 CD1 TYR A 89 -3.954 9.534 -6.761 1.00 0.00 C ATOM 1483 CD2 TYR A 89 -5.050 7.841 -5.489 1.00 0.00 C ATOM 1484 CE1 TYR A 89 -4.954 9.471 -7.713 1.00 0.00 C ATOM 1485 CE2 TYR A 89 -6.053 7.773 -6.436 1.00 0.00 C ATOM 1486 CZ TYR A 89 -6.001 8.589 -7.545 1.00 0.00 C ATOM 1487 OH TYR A 89 -7.005 8.527 -8.485 1.00 0.00 O ATOM 0 H TYR A 89 -1.274 9.080 -2.800 1.00 0.00 H new ATOM 0 HA TYR A 89 -2.796 10.917 -4.370 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.925 8.700 -5.101 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -2.977 7.908 -3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.135 10.225 -6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.094 7.199 -4.622 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.916 10.109 -8.584 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.874 7.083 -6.308 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.859 8.767 -8.068 1.00 0.00 H new ATOM 1497 N ALA A 90 -4.194 9.608 -1.735 1.00 0.00 N ATOM 1498 CA ALA A 90 -5.355 9.648 -0.858 1.00 0.00 C ATOM 1499 C ALA A 90 -5.639 11.064 -0.375 1.00 0.00 C ATOM 1500 O ALA A 90 -6.792 11.499 -0.354 1.00 0.00 O ATOM 1501 CB ALA A 90 -5.149 8.717 0.327 1.00 0.00 C ATOM 0 H ALA A 90 -3.395 9.109 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.220 9.312 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.024 8.755 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.008 7.697 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.268 9.030 0.887 1.00 0.00 H new ATOM 1507 N VAL A 91 -4.587 11.774 0.019 1.00 0.00 N ATOM 1508 CA VAL A 91 -4.715 13.164 0.446 1.00 0.00 C ATOM 1509 C VAL A 91 -5.221 14.026 -0.705 1.00 0.00 C ATOM 1510 O VAL A 91 -6.050 14.913 -0.511 1.00 0.00 O ATOM 1511 CB VAL A 91 -3.372 13.731 0.965 1.00 0.00 C ATOM 1512 CG1 VAL A 91 -3.503 15.200 1.342 1.00 0.00 C ATOM 1513 CG2 VAL A 91 -2.882 12.928 2.154 1.00 0.00 C ATOM 0 H VAL A 91 -3.635 11.410 0.052 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.433 13.187 1.266 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.642 13.651 0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.543 15.570 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.807 15.774 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.252 15.309 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.936 13.340 2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.620 12.976 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.737 11.889 1.857 1.00 0.00 H new ATOM 1523 N GLN A 92 -4.740 13.737 -1.910 1.00 0.00 N ATOM 1524 CA GLN A 92 -5.162 14.473 -3.099 1.00 0.00 C ATOM 1525 C GLN A 92 -6.652 14.268 -3.379 1.00 0.00 C ATOM 1526 O GLN A 92 -7.305 15.133 -3.957 1.00 0.00 O ATOM 1527 CB GLN A 92 -4.337 14.051 -4.314 1.00 0.00 C ATOM 1528 CG GLN A 92 -2.850 14.326 -4.162 1.00 0.00 C ATOM 1529 CD GLN A 92 -2.057 13.901 -5.380 1.00 0.00 C ATOM 1530 OE1 GLN A 92 -1.832 14.690 -6.300 1.00 0.00 O ATOM 1531 NE2 GLN A 92 -1.628 12.650 -5.394 1.00 0.00 N ATOM 0 H GLN A 92 -4.059 13.000 -2.090 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.994 15.533 -2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -4.485 12.986 -4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -4.707 14.576 -5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -2.696 15.391 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -2.474 13.800 -3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.837 12.030 -4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.088 12.305 -6.188 1.00 0.00 H new ATOM 1540 N GLN A 93 -7.186 13.123 -2.968 1.00 0.00 N ATOM 1541 CA GLN A 93 -8.615 12.853 -3.118 1.00 0.00 C ATOM 1542 C GLN A 93 -9.381 13.223 -1.849 1.00 0.00 C ATOM 1543 O GLN A 93 -10.555 12.876 -1.700 1.00 0.00 O ATOM 1544 CB GLN A 93 -8.861 11.384 -3.471 1.00 0.00 C ATOM 1545 CG GLN A 93 -8.298 10.986 -4.826 1.00 0.00 C ATOM 1546 CD GLN A 93 -8.771 9.619 -5.288 1.00 0.00 C ATOM 1547 OE1 GLN A 93 -8.900 9.372 -6.488 1.00 0.00 O ATOM 1548 NE2 GLN A 93 -9.037 8.722 -4.350 1.00 0.00 N ATOM 0 H GLN A 93 -6.656 12.369 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 93 -8.982 13.473 -3.936 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.416 10.754 -2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.934 11.190 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.586 11.733 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.209 10.990 -4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.918 8.963 -3.366 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.360 7.791 -4.612 1.00 0.00 H new ATOM 1557 N LYS A 94 -8.695 13.918 -0.939 1.00 0.00 N ATOM 1558 CA LYS A 94 -9.287 14.423 0.306 1.00 0.00 C ATOM 1559 C LYS A 94 -9.778 13.287 1.211 1.00 0.00 C ATOM 1560 O LYS A 94 -10.582 13.503 2.117 1.00 0.00 O ATOM 1561 CB LYS A 94 -10.450 15.381 0.009 1.00 0.00 C ATOM 1562 CG LYS A 94 -10.854 16.221 1.212 1.00 0.00 C ATOM 1563 CD LYS A 94 -12.237 16.825 1.051 1.00 0.00 C ATOM 1564 CE LYS A 94 -12.681 17.528 2.323 1.00 0.00 C ATOM 1565 NZ LYS A 94 -12.678 16.613 3.497 1.00 0.00 N ATOM 0 H LYS A 94 -7.707 14.149 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.499 14.962 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.168 16.042 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.311 14.804 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.832 15.602 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.126 17.019 1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.233 17.534 0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.951 16.042 0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.020 18.372 2.520 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.683 17.933 2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.287 17.005 4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.038 15.680 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.708 16.514 3.858 1.00 0.00 H new ATOM 1579 N MET A 95 -9.277 12.083 0.994 1.00 0.00 N ATOM 1580 CA MET A 95 -9.745 10.939 1.763 1.00 0.00 C ATOM 1581 C MET A 95 -9.163 10.974 3.165 1.00 0.00 C ATOM 1582 O MET A 95 -9.846 10.676 4.142 1.00 0.00 O ATOM 1583 CB MET A 95 -9.379 9.629 1.074 1.00 0.00 C ATOM 1584 CG MET A 95 -9.850 9.551 -0.365 1.00 0.00 C ATOM 1585 SD MET A 95 -9.766 7.879 -1.026 1.00 0.00 S ATOM 1586 CE MET A 95 -8.110 7.410 -0.536 1.00 0.00 C ATOM 0 H MET A 95 -8.557 11.872 0.303 1.00 0.00 H new ATOM 0 HA MET A 95 -10.832 10.997 1.828 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.297 9.503 1.101 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.810 8.800 1.635 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.876 9.912 -0.428 1.00 0.00 H new ATOM 0 HG3 MET A 95 -9.240 10.213 -0.980 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.047 6.325 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.397 7.762 -1.281 1.00 0.00 H new ATOM 0 HE3 MET A 95 -7.876 7.857 0.430 1.00 0.00 H new ATOM 1596 N ILE A 96 -7.901 11.357 3.259 1.00 0.00 N ATOM 1597 CA ILE A 96 -7.235 11.465 4.544 1.00 0.00 C ATOM 1598 C ILE A 96 -6.674 12.868 4.729 1.00 0.00 C ATOM 1599 O ILE A 96 -6.337 13.544 3.757 1.00 0.00 O ATOM 1600 CB ILE A 96 -6.104 10.420 4.704 1.00 0.00 C ATOM 1601 CG1 ILE A 96 -5.087 10.537 3.567 1.00 0.00 C ATOM 1602 CG2 ILE A 96 -6.687 9.016 4.757 1.00 0.00 C ATOM 1603 CD1 ILE A 96 -3.908 9.595 3.706 1.00 0.00 C ATOM 0 H ILE A 96 -7.317 11.599 2.459 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.981 11.264 5.313 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.585 10.618 5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.589 10.339 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.719 11.562 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.881 8.291 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.368 8.936 5.605 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.231 8.813 3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.230 9.735 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.381 9.807 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.265 8.565 3.718 1.00 0.00 H new ATOM 1615 N ARG A 97 -6.608 13.305 5.980 1.00 0.00 N ATOM 1616 CA ARG A 97 -6.081 14.623 6.316 1.00 0.00 C ATOM 1617 C ARG A 97 -4.599 14.719 5.971 1.00 0.00 C ATOM 1618 O ARG A 97 -4.178 15.596 5.219 1.00 0.00 O ATOM 1619 CB ARG A 97 -6.294 14.898 7.805 1.00 0.00 C ATOM 1620 CG ARG A 97 -7.748 15.139 8.178 1.00 0.00 C ATOM 1621 CD ARG A 97 -7.965 15.029 9.678 1.00 0.00 C ATOM 1622 NE ARG A 97 -7.989 13.634 10.134 1.00 0.00 N ATOM 1623 CZ ARG A 97 -7.106 13.103 10.982 1.00 0.00 C ATOM 1624 NH1 ARG A 97 -6.106 13.838 11.454 1.00 0.00 N ATOM 1625 NH2 ARG A 97 -7.231 11.834 11.357 1.00 0.00 N ATOM 0 H ARG A 97 -6.916 12.761 6.786 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.615 15.371 5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.916 14.053 8.380 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.705 15.769 8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.053 16.128 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.381 14.416 7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.172 15.566 10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.905 15.513 9.944 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.730 13.030 9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.010 14.813 11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.433 13.428 12.102 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.000 11.269 10.997 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.558 11.425 12.005 1.00 0.00 H new ATOM 1639 N PHE A 98 -3.822 13.806 6.529 1.00 0.00 N ATOM 1640 CA PHE A 98 -2.395 13.728 6.262 1.00 0.00 C ATOM 1641 C PHE A 98 -2.002 12.268 6.138 1.00 0.00 C ATOM 1642 O PHE A 98 -2.809 11.386 6.434 1.00 0.00 O ATOM 1643 CB PHE A 98 -1.586 14.393 7.384 1.00 0.00 C ATOM 1644 CG PHE A 98 -1.807 15.876 7.503 1.00 0.00 C ATOM 1645 CD1 PHE A 98 -1.153 16.756 6.656 1.00 0.00 C ATOM 1646 CD2 PHE A 98 -2.668 16.389 8.461 1.00 0.00 C ATOM 1647 CE1 PHE A 98 -1.353 18.119 6.762 1.00 0.00 C ATOM 1648 CE2 PHE A 98 -2.871 17.751 8.572 1.00 0.00 C ATOM 1649 CZ PHE A 98 -2.213 18.617 7.722 1.00 0.00 C ATOM 0 H PHE A 98 -4.162 13.098 7.180 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.177 14.257 5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.843 13.921 8.332 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.526 14.207 7.213 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.479 16.372 5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.186 15.716 9.128 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.838 18.794 6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.544 18.138 9.323 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.370 19.682 7.807 1.00 0.00 H new ATOM 1659 N ASN A 99 -0.779 12.008 5.707 1.00 0.00 N ATOM 1660 CA ASN A 99 -0.303 10.638 5.582 1.00 0.00 C ATOM 1661 C ASN A 99 0.166 10.149 6.940 1.00 0.00 C ATOM 1662 O ASN A 99 1.147 10.665 7.469 1.00 0.00 O ATOM 1663 CB ASN A 99 0.872 10.520 4.599 1.00 0.00 C ATOM 1664 CG ASN A 99 0.602 11.100 3.222 1.00 0.00 C ATOM 1665 OD1 ASN A 99 -0.057 12.126 3.078 1.00 0.00 O ATOM 1666 ND2 ASN A 99 1.118 10.444 2.193 1.00 0.00 N ATOM 0 H ASN A 99 -0.101 12.721 5.439 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.130 10.037 5.204 1.00 0.00 H new ATOM 0 HB2 ASN A 99 1.739 11.023 5.027 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.134 9.468 4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.973 10.788 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.660 9.595 2.350 1.00 0.00 H new ATOM 1673 N PRO A 100 -0.519 9.160 7.533 1.00 0.00 N ATOM 1674 CA PRO A 100 -0.110 8.579 8.819 1.00 0.00 C ATOM 1675 C PRO A 100 1.314 8.033 8.765 1.00 0.00 C ATOM 1676 O PRO A 100 2.021 8.012 9.771 1.00 0.00 O ATOM 1677 CB PRO A 100 -1.121 7.450 9.038 1.00 0.00 C ATOM 1678 CG PRO A 100 -2.309 7.861 8.242 1.00 0.00 C ATOM 1679 CD PRO A 100 -1.755 8.545 7.024 1.00 0.00 C ATOM 0 HA PRO A 100 -0.104 9.313 9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.727 6.492 8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.369 7.337 10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.915 6.998 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.951 8.533 8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.554 7.838 6.219 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.445 9.290 6.629 1.00 0.00 H new ATOM 1687 N ALA A 101 1.731 7.614 7.572 1.00 0.00 N ATOM 1688 CA ALA A 101 3.081 7.108 7.361 1.00 0.00 C ATOM 1689 C ALA A 101 4.112 8.228 7.477 1.00 0.00 C ATOM 1690 O ALA A 101 5.242 7.999 7.900 1.00 0.00 O ATOM 1691 CB ALA A 101 3.181 6.429 6.005 1.00 0.00 C ATOM 0 H ALA A 101 1.149 7.616 6.735 1.00 0.00 H new ATOM 0 HA ALA A 101 3.296 6.374 8.138 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.194 6.055 5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.478 5.597 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.943 7.147 5.220 1.00 0.00 H new