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 Set 1.1: A 45 SER OG : rot -109:sc= 0.361 USER MOD Set 1.2: A 48 SER OG : rot 61:sc= 0.615 USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= -0.163 (180deg=-0.677) USER MOD Single : A 16 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.4) 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= -1.11 K(o=-1.1,f=-0.26) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.055 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -83:sc= 0.903 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.2 K(o=-1.2,f=-6.1!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.884 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.4!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0566 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 130:sc= -0.448 USER MOD Single : A 64 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.014) USER MOD Single : A 65 TYR OH : rot -130:sc= -0.337 USER MOD Single : A 68 ASN : amide:sc= -0.0869 X(o=-0.087,f=-0.098) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 1:sc= 1.14 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= -0.269 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -1.59! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.899 K(o=-0.9,f=-2!) USER MOD Single : A 92 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-1.8) USER MOD Single : A 93 HIS : no HD1:sc= -7.03! C(o=-7!,f=-5.7!) USER MOD Single : A 94 SER OG : rot 37:sc= 1.09 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 105 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.35) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -7.632 -1.316 -9.871 1.00 0.00 N ATOM 171 CA LYS A 15 -8.642 -0.668 -10.701 1.00 0.00 C ATOM 172 C LYS A 15 -9.026 0.693 -10.128 1.00 0.00 C ATOM 173 O LYS A 15 -8.743 1.732 -10.725 1.00 0.00 O ATOM 174 CB LYS A 15 -9.884 -1.554 -10.814 1.00 0.00 C ATOM 175 CG LYS A 15 -9.784 -2.604 -11.908 1.00 0.00 C ATOM 176 CD LYS A 15 -11.060 -3.422 -12.015 1.00 0.00 C ATOM 177 CE LYS A 15 -11.145 -4.467 -10.912 1.00 0.00 C ATOM 178 NZ LYS A 15 -10.015 -5.436 -10.978 1.00 0.00 N ATOM 0 HA LYS A 15 -8.218 -0.518 -11.694 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.054 -2.051 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.753 -0.924 -11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.581 -2.118 -12.862 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.943 -3.266 -11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.924 -2.760 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.098 -3.913 -12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.142 -3.971 -9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.090 -5.005 -10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.293 -6.326 -10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.774 -5.621 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.187 -5.038 -10.490 1.00 0.00 H new ATOM 192 N HIS A 16 -9.671 0.680 -8.966 1.00 0.00 N ATOM 193 CA HIS A 16 -10.092 1.913 -8.309 1.00 0.00 C ATOM 194 C HIS A 16 -8.963 2.938 -8.307 1.00 0.00 C ATOM 195 O HIS A 16 -7.785 2.579 -8.263 1.00 0.00 O ATOM 196 CB HIS A 16 -10.541 1.625 -6.878 1.00 0.00 C ATOM 197 CG HIS A 16 -11.327 0.359 -6.739 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.679 0.277 -7.000 1.00 0.00 N ATOM 199 CD2 HIS A 16 -10.943 -0.885 -6.365 1.00 0.00 C ATOM 200 CE1 HIS A 16 -13.093 -0.958 -6.792 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.059 -1.684 -6.405 1.00 0.00 N ATOM 0 H HIS A 16 -9.914 -0.171 -8.459 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.932 2.326 -8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.663 1.570 -6.235 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.145 2.459 -6.521 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.945 -1.191 -6.087 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.105 -1.315 -6.917 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.086 -2.677 -6.173 1.00 0.00 H new ATOM 210 N SER A 17 -9.329 4.215 -8.351 1.00 0.00 N ATOM 211 CA SER A 17 -8.346 5.292 -8.358 1.00 0.00 C ATOM 212 C SER A 17 -7.699 5.445 -6.983 1.00 0.00 C ATOM 213 O SER A 17 -6.476 5.504 -6.864 1.00 0.00 O ATOM 214 CB SER A 17 -9.004 6.610 -8.773 1.00 0.00 C ATOM 215 OG SER A 17 -9.660 6.479 -10.022 1.00 0.00 O ATOM 0 H SER A 17 -10.299 4.529 -8.382 1.00 0.00 H new ATOM 0 HA SER A 17 -7.570 5.038 -9.081 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.721 6.918 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.249 7.394 -8.835 1.00 0.00 H new ATOM 0 HG SER A 17 -10.074 7.333 -10.265 1.00 0.00 H new ATOM 221 N TRP A 18 -8.531 5.511 -5.951 1.00 0.00 N ATOM 222 CA TRP A 18 -8.041 5.657 -4.584 1.00 0.00 C ATOM 223 C TRP A 18 -7.239 4.432 -4.159 1.00 0.00 C ATOM 224 O TRP A 18 -6.193 4.556 -3.521 1.00 0.00 O ATOM 225 CB TRP A 18 -9.210 5.875 -3.622 1.00 0.00 C ATOM 226 CG TRP A 18 -10.423 5.064 -3.968 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.446 5.431 -4.794 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.738 3.751 -3.494 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.379 4.424 -4.862 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.967 3.382 -4.075 1.00 0.00 C ATOM 231 CE3 TRP A 18 -10.101 2.849 -2.637 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.569 2.152 -3.824 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.700 1.629 -2.390 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.924 1.288 -2.982 1.00 0.00 C ATOM 0 H TRP A 18 -9.547 5.466 -6.033 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.385 6.527 -4.551 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.890 5.624 -2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.477 6.932 -3.619 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.512 6.374 -5.317 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.239 4.449 -5.410 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.157 3.101 -2.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.513 1.889 -4.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.217 0.925 -1.729 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.366 0.326 -2.770 1.00 0.00 H new ATOM 245 N TYR A 19 -7.734 3.254 -4.515 1.00 0.00 N ATOM 246 CA TYR A 19 -7.063 2.006 -4.169 1.00 0.00 C ATOM 247 C TYR A 19 -5.684 1.931 -4.817 1.00 0.00 C ATOM 248 O TYR A 19 -5.563 1.858 -6.040 1.00 0.00 O ATOM 249 CB TYR A 19 -7.909 0.808 -4.604 1.00 0.00 C ATOM 250 CG TYR A 19 -7.505 -0.491 -3.946 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.751 -0.716 -2.597 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.874 -1.493 -4.674 1.00 0.00 C ATOM 253 CE1 TYR A 19 -7.382 -1.901 -1.993 1.00 0.00 C ATOM 254 CE2 TYR A 19 -6.503 -2.682 -4.076 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.759 -2.882 -2.736 1.00 0.00 C ATOM 256 OH TYR A 19 -6.391 -4.065 -2.137 1.00 0.00 O ATOM 0 H TYR A 19 -8.598 3.135 -5.044 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.938 1.979 -3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.955 1.011 -4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.835 0.696 -5.686 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.239 0.049 -2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.671 -1.340 -5.724 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.580 -2.059 -0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.015 -3.451 -4.656 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.965 -4.648 -2.799 1.00 0.00 H new ATOM 266 N HIS A 20 -4.645 1.949 -3.987 1.00 0.00 N ATOM 267 CA HIS A 20 -3.273 1.880 -4.477 1.00 0.00 C ATOM 268 C HIS A 20 -2.533 0.699 -3.858 1.00 0.00 C ATOM 269 O HIS A 20 -1.376 0.819 -3.459 1.00 0.00 O ATOM 270 CB HIS A 20 -2.533 3.182 -4.164 1.00 0.00 C ATOM 271 CG HIS A 20 -2.649 4.211 -5.246 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.605 4.546 -6.082 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.695 4.982 -5.625 1.00 0.00 C ATOM 274 CE1 HIS A 20 -2.004 5.478 -6.930 1.00 0.00 C ATOM 275 NE2 HIS A 20 -3.268 5.760 -6.674 1.00 0.00 N ATOM 0 H HIS A 20 -4.728 2.011 -2.972 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.305 1.739 -5.557 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.923 3.598 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.479 2.960 -3.996 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.681 4.985 -5.185 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.399 5.932 -7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.836 6.444 -7.174 1.00 0.00 H new ATOM 284 N GLY A 21 -3.210 -0.443 -3.781 1.00 0.00 N ATOM 285 CA GLY A 21 -2.601 -1.629 -3.208 1.00 0.00 C ATOM 286 C GLY A 21 -1.698 -1.308 -2.034 1.00 0.00 C ATOM 287 O GLY A 21 -1.877 -0.306 -1.341 1.00 0.00 O ATOM 0 H GLY A 21 -4.169 -0.568 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.384 -2.315 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.024 -2.144 -3.976 1.00 0.00 H new ATOM 291 N PRO A 22 -0.704 -2.174 -1.794 1.00 0.00 N ATOM 292 CA PRO A 22 0.249 -2.001 -0.693 1.00 0.00 C ATOM 293 C PRO A 22 1.195 -0.828 -0.925 1.00 0.00 C ATOM 294 O PRO A 22 1.879 -0.761 -1.947 1.00 0.00 O ATOM 295 CB PRO A 22 1.025 -3.320 -0.683 1.00 0.00 C ATOM 296 CG PRO A 22 0.916 -3.834 -2.078 1.00 0.00 C ATOM 297 CD PRO A 22 -0.432 -3.391 -2.577 1.00 0.00 C ATOM 0 HA PRO A 22 -0.253 -1.780 0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.066 -3.165 -0.398 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.600 -4.024 0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.714 -3.436 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.004 -4.920 -2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.416 -3.185 -3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.192 -4.154 -2.411 1.00 0.00 H new ATOM 305 N VAL A 23 1.231 0.096 0.029 1.00 0.00 N ATOM 306 CA VAL A 23 2.094 1.268 -0.071 1.00 0.00 C ATOM 307 C VAL A 23 2.881 1.482 1.216 1.00 0.00 C ATOM 308 O VAL A 23 2.303 1.593 2.298 1.00 0.00 O ATOM 309 CB VAL A 23 1.283 2.538 -0.382 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.199 3.749 -0.468 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.494 2.364 -1.671 1.00 0.00 C ATOM 0 H VAL A 23 0.672 0.056 0.881 1.00 0.00 H new ATOM 0 HA VAL A 23 2.788 1.081 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 23 0.576 2.704 0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.608 4.638 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.715 3.883 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.932 3.595 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.074 3.272 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.181 2.172 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.192 1.523 -1.567 1.00 0.00 H new ATOM 321 N SER A 24 4.203 1.540 1.094 1.00 0.00 N ATOM 322 CA SER A 24 5.070 1.739 2.249 1.00 0.00 C ATOM 323 C SER A 24 4.637 2.962 3.051 1.00 0.00 C ATOM 324 O SER A 24 4.207 3.968 2.483 1.00 0.00 O ATOM 325 CB SER A 24 6.524 1.896 1.801 1.00 0.00 C ATOM 326 OG SER A 24 7.120 0.637 1.549 1.00 0.00 O ATOM 0 H SER A 24 4.697 1.452 0.206 1.00 0.00 H new ATOM 0 HA SER A 24 4.988 0.860 2.889 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.566 2.508 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.090 2.422 2.570 1.00 0.00 H new ATOM 0 HG SER A 24 8.048 0.766 1.263 1.00 0.00 H new ATOM 332 N ARG A 25 4.752 2.870 4.370 1.00 0.00 N ATOM 333 CA ARG A 25 4.372 3.968 5.250 1.00 0.00 C ATOM 334 C ARG A 25 4.913 5.296 4.728 1.00 0.00 C ATOM 335 O ARG A 25 4.157 6.238 4.498 1.00 0.00 O ATOM 336 CB ARG A 25 4.890 3.717 6.668 1.00 0.00 C ATOM 337 CG ARG A 25 3.932 2.913 7.533 1.00 0.00 C ATOM 338 CD ARG A 25 4.132 1.417 7.341 1.00 0.00 C ATOM 339 NE ARG A 25 3.207 0.633 8.156 1.00 0.00 N ATOM 340 CZ ARG A 25 3.453 0.277 9.411 1.00 0.00 C ATOM 341 NH1 ARG A 25 4.590 0.632 9.993 1.00 0.00 N ATOM 342 NH2 ARG A 25 2.561 -0.437 10.087 1.00 0.00 N ATOM 0 H ARG A 25 5.106 2.045 4.854 1.00 0.00 H new ATOM 0 HA ARG A 25 3.284 4.022 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.843 3.191 6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.084 4.675 7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.083 3.170 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.905 3.179 7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.993 1.164 6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.157 1.152 7.599 1.00 0.00 H new ATOM 0 HE ARG A 25 2.323 0.343 7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.278 1.180 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.777 0.357 10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.685 -0.713 9.642 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.751 -0.710 11.051 1.00 0.00 H new ATOM 356 N SER A 26 6.228 5.361 4.544 1.00 0.00 N ATOM 357 CA SER A 26 6.872 6.575 4.052 1.00 0.00 C ATOM 358 C SER A 26 6.288 6.992 2.706 1.00 0.00 C ATOM 359 O SER A 26 5.984 8.163 2.486 1.00 0.00 O ATOM 360 CB SER A 26 8.380 6.360 3.922 1.00 0.00 C ATOM 361 OG SER A 26 8.673 5.356 2.965 1.00 0.00 O ATOM 0 H SER A 26 6.868 4.589 4.728 1.00 0.00 H new ATOM 0 HA SER A 26 6.687 7.373 4.771 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.860 7.295 3.631 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.795 6.076 4.889 1.00 0.00 H new ATOM 0 HG SER A 26 9.644 5.239 2.900 1.00 0.00 H new ATOM 367 N ALA A 27 6.136 6.023 1.809 1.00 0.00 N ATOM 368 CA ALA A 27 5.588 6.288 0.485 1.00 0.00 C ATOM 369 C ALA A 27 4.218 6.955 0.580 1.00 0.00 C ATOM 370 O ALA A 27 3.952 7.947 -0.096 1.00 0.00 O ATOM 371 CB ALA A 27 5.494 4.998 -0.317 1.00 0.00 C ATOM 0 H ALA A 27 6.385 5.048 1.975 1.00 0.00 H new ATOM 0 HA ALA A 27 6.262 6.973 -0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.083 5.212 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.488 4.563 -0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.844 4.294 0.202 1.00 0.00 H new ATOM 377 N ALA A 28 3.355 6.399 1.423 1.00 0.00 N ATOM 378 CA ALA A 28 2.014 6.940 1.608 1.00 0.00 C ATOM 379 C ALA A 28 2.065 8.406 2.028 1.00 0.00 C ATOM 380 O ALA A 28 1.526 9.276 1.345 1.00 0.00 O ATOM 381 CB ALA A 28 1.251 6.120 2.639 1.00 0.00 C ATOM 0 H ALA A 28 3.560 5.575 1.988 1.00 0.00 H new ATOM 0 HA ALA A 28 1.491 6.881 0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.251 6.535 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.174 5.088 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.781 6.149 3.591 1.00 0.00 H new ATOM 387 N GLU A 29 2.717 8.671 3.156 1.00 0.00 N ATOM 388 CA GLU A 29 2.837 10.031 3.667 1.00 0.00 C ATOM 389 C GLU A 29 3.483 10.947 2.630 1.00 0.00 C ATOM 390 O GLU A 29 2.924 11.981 2.265 1.00 0.00 O ATOM 391 CB GLU A 29 3.659 10.046 4.958 1.00 0.00 C ATOM 392 CG GLU A 29 2.910 9.499 6.162 1.00 0.00 C ATOM 393 CD GLU A 29 3.817 9.257 7.352 1.00 0.00 C ATOM 394 OE1 GLU A 29 4.764 8.452 7.223 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.582 9.873 8.412 1.00 0.00 O ATOM 0 H GLU A 29 3.170 7.962 3.733 1.00 0.00 H new ATOM 0 HA GLU A 29 1.834 10.400 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.566 9.461 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.971 11.069 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.124 10.199 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.420 8.565 5.887 1.00 0.00 H new ATOM 403 N TYR A 30 4.663 10.557 2.160 1.00 0.00 N ATOM 404 CA TYR A 30 5.388 11.343 1.168 1.00 0.00 C ATOM 405 C TYR A 30 4.497 11.666 -0.027 1.00 0.00 C ATOM 406 O TYR A 30 4.392 12.819 -0.446 1.00 0.00 O ATOM 407 CB TYR A 30 6.634 10.589 0.701 1.00 0.00 C ATOM 408 CG TYR A 30 7.185 11.089 -0.616 1.00 0.00 C ATOM 409 CD1 TYR A 30 7.735 12.360 -0.723 1.00 0.00 C ATOM 410 CD2 TYR A 30 7.157 10.287 -1.751 1.00 0.00 C ATOM 411 CE1 TYR A 30 8.238 12.820 -1.925 1.00 0.00 C ATOM 412 CE2 TYR A 30 7.660 10.740 -2.956 1.00 0.00 C ATOM 413 CZ TYR A 30 8.199 12.006 -3.038 1.00 0.00 C ATOM 414 OH TYR A 30 8.702 12.460 -4.235 1.00 0.00 O ATOM 0 H TYR A 30 5.138 9.702 2.450 1.00 0.00 H new ATOM 0 HA TYR A 30 5.692 12.280 1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.407 10.673 1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.394 9.530 0.606 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.770 12.999 0.147 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.736 9.294 -1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.660 13.812 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.631 10.105 -3.829 1.00 0.00 H new ATOM 0 HH TYR A 30 8.599 11.765 -4.918 1.00 0.00 H new ATOM 424 N LEU A 31 3.854 10.638 -0.573 1.00 0.00 N ATOM 425 CA LEU A 31 2.971 10.810 -1.721 1.00 0.00 C ATOM 426 C LEU A 31 1.917 11.879 -1.441 1.00 0.00 C ATOM 427 O LEU A 31 1.635 12.725 -2.291 1.00 0.00 O ATOM 428 CB LEU A 31 2.289 9.485 -2.068 1.00 0.00 C ATOM 429 CG LEU A 31 3.086 8.536 -2.964 1.00 0.00 C ATOM 430 CD1 LEU A 31 2.391 7.188 -3.065 1.00 0.00 C ATOM 431 CD2 LEU A 31 3.278 9.144 -4.347 1.00 0.00 C ATOM 0 H LEU A 31 3.928 9.677 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 31 3.575 11.133 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.055 8.965 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.340 9.705 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 31 4.068 8.383 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.973 6.526 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.305 6.748 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.396 7.323 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.847 8.455 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.305 9.327 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.820 10.086 -4.258 1.00 0.00 H new ATOM 443 N LEU A 32 1.341 11.835 -0.245 1.00 0.00 N ATOM 444 CA LEU A 32 0.319 12.799 0.147 1.00 0.00 C ATOM 445 C LEU A 32 0.914 14.199 0.278 1.00 0.00 C ATOM 446 O LEU A 32 0.440 15.146 -0.348 1.00 0.00 O ATOM 447 CB LEU A 32 -0.324 12.381 1.470 1.00 0.00 C ATOM 448 CG LEU A 32 -1.370 11.269 1.385 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.761 10.796 2.777 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.596 11.746 0.618 1.00 0.00 C ATOM 0 H LEU A 32 1.564 11.142 0.470 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.445 12.819 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.465 12.059 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.791 13.258 1.917 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.934 10.428 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.506 10.005 2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.880 10.414 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.178 11.630 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.330 10.941 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.033 12.604 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.304 12.034 -0.392 1.00 0.00 H new ATOM 462 N SER A 33 1.956 14.318 1.095 1.00 0.00 N ATOM 463 CA SER A 33 2.614 15.602 1.310 1.00 0.00 C ATOM 464 C SER A 33 2.596 16.441 0.036 1.00 0.00 C ATOM 465 O SER A 33 2.309 17.638 0.073 1.00 0.00 O ATOM 466 CB SER A 33 4.057 15.387 1.772 1.00 0.00 C ATOM 467 OG SER A 33 4.871 14.928 0.706 1.00 0.00 O ATOM 0 H SER A 33 2.362 13.542 1.618 1.00 0.00 H new ATOM 0 HA SER A 33 2.067 16.138 2.085 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.459 16.321 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.077 14.663 2.587 1.00 0.00 H new ATOM 0 HG SER A 33 4.777 13.957 0.617 1.00 0.00 H new ATOM 473 N SER A 34 2.903 15.805 -1.090 1.00 0.00 N ATOM 474 CA SER A 34 2.925 16.493 -2.375 1.00 0.00 C ATOM 475 C SER A 34 1.523 16.938 -2.778 1.00 0.00 C ATOM 476 O SER A 34 1.307 18.091 -3.151 1.00 0.00 O ATOM 477 CB SER A 34 3.514 15.583 -3.454 1.00 0.00 C ATOM 478 OG SER A 34 3.651 16.273 -4.685 1.00 0.00 O ATOM 0 H SER A 34 3.140 14.814 -1.138 1.00 0.00 H new ATOM 0 HA SER A 34 3.552 17.379 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.487 15.213 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.872 14.713 -3.591 1.00 0.00 H new ATOM 0 HG SER A 34 4.031 15.670 -5.358 1.00 0.00 H new ATOM 484 N LEU A 35 0.571 16.014 -2.700 1.00 0.00 N ATOM 485 CA LEU A 35 -0.812 16.307 -3.056 1.00 0.00 C ATOM 486 C LEU A 35 -1.462 17.213 -2.015 1.00 0.00 C ATOM 487 O LEU A 35 -1.026 17.265 -0.864 1.00 0.00 O ATOM 488 CB LEU A 35 -1.612 15.010 -3.190 1.00 0.00 C ATOM 489 CG LEU A 35 -0.992 13.928 -4.075 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.789 12.637 -3.977 1.00 0.00 C ATOM 491 CD2 LEU A 35 -0.913 14.399 -5.520 1.00 0.00 C ATOM 0 H LEU A 35 0.733 15.055 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.812 16.827 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.762 14.594 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.598 15.254 -3.585 1.00 0.00 H new ATOM 0 HG LEU A 35 0.021 13.734 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.333 11.879 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.793 12.289 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.813 12.816 -4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.469 13.616 -6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.915 14.622 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.298 15.297 -5.577 1.00 0.00 H new ATOM 503 N ILE A 36 -2.507 17.923 -2.426 1.00 0.00 N ATOM 504 CA ILE A 36 -3.219 18.824 -1.528 1.00 0.00 C ATOM 505 C ILE A 36 -3.776 18.072 -0.323 1.00 0.00 C ATOM 506 O ILE A 36 -4.025 16.868 -0.391 1.00 0.00 O ATOM 507 CB ILE A 36 -4.374 19.543 -2.250 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.395 18.526 -2.762 1.00 0.00 C ATOM 509 CG2 ILE A 36 -3.837 20.388 -3.395 1.00 0.00 C ATOM 510 CD1 ILE A 36 -6.548 18.295 -1.811 1.00 0.00 C ATOM 0 H ILE A 36 -2.880 17.892 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.497 19.566 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.873 20.203 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.788 18.868 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.890 17.577 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.665 20.890 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.144 21.133 -3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.317 19.747 -4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.232 17.562 -2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.166 17.923 -0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.078 19.233 -1.647 1.00 0.00 H new ATOM 522 N ASN A 37 -3.974 18.790 0.777 1.00 0.00 N ATOM 523 CA ASN A 37 -4.502 18.192 1.996 1.00 0.00 C ATOM 524 C ASN A 37 -6.002 17.941 1.871 1.00 0.00 C ATOM 525 O ASN A 37 -6.775 18.274 2.769 1.00 0.00 O ATOM 526 CB ASN A 37 -4.226 19.098 3.198 1.00 0.00 C ATOM 527 CG ASN A 37 -5.149 20.300 3.242 1.00 0.00 C ATOM 528 OD1 ASN A 37 -6.101 20.336 4.022 1.00 0.00 O ATOM 529 ND2 ASN A 37 -4.872 21.289 2.400 1.00 0.00 N ATOM 0 H ASN A 37 -3.776 19.788 0.849 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.000 17.236 2.148 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.340 18.522 4.117 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.191 19.439 3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.459 22.123 2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.072 21.215 1.772 1.00 0.00 H new ATOM 536 N GLY A 38 -6.407 17.347 0.753 1.00 0.00 N ATOM 537 CA GLY A 38 -7.811 17.060 0.530 1.00 0.00 C ATOM 538 C GLY A 38 -8.034 15.695 -0.089 1.00 0.00 C ATOM 539 O GLY A 38 -9.140 15.157 -0.042 1.00 0.00 O ATOM 0 H GLY A 38 -5.786 17.059 -0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.345 17.117 1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.236 17.824 -0.121 1.00 0.00 H new ATOM 543 N SER A 39 -6.980 15.132 -0.671 1.00 0.00 N ATOM 544 CA SER A 39 -7.066 13.822 -1.308 1.00 0.00 C ATOM 545 C SER A 39 -6.783 12.711 -0.303 1.00 0.00 C ATOM 546 O SER A 39 -6.190 12.946 0.751 1.00 0.00 O ATOM 547 CB SER A 39 -6.081 13.734 -2.475 1.00 0.00 C ATOM 548 OG SER A 39 -6.341 14.741 -3.440 1.00 0.00 O ATOM 0 H SER A 39 -6.056 15.562 -0.715 1.00 0.00 H new ATOM 0 HA SER A 39 -8.080 13.695 -1.688 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.062 13.837 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.152 12.752 -2.942 1.00 0.00 H new ATOM 0 HG SER A 39 -5.697 14.664 -4.175 1.00 0.00 H new ATOM 554 N PHE A 40 -7.209 11.497 -0.637 1.00 0.00 N ATOM 555 CA PHE A 40 -7.002 10.347 0.236 1.00 0.00 C ATOM 556 C PHE A 40 -6.384 9.185 -0.535 1.00 0.00 C ATOM 557 O PHE A 40 -6.242 9.239 -1.756 1.00 0.00 O ATOM 558 CB PHE A 40 -8.328 9.911 0.862 1.00 0.00 C ATOM 559 CG PHE A 40 -9.260 9.246 -0.110 1.00 0.00 C ATOM 560 CD1 PHE A 40 -10.032 10.002 -0.979 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.365 7.865 -0.155 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.891 9.391 -1.873 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.222 7.249 -1.048 1.00 0.00 C ATOM 564 CZ PHE A 40 -10.985 8.014 -1.910 1.00 0.00 C ATOM 0 H PHE A 40 -7.700 11.284 -1.506 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.314 10.642 1.028 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.124 9.225 1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.823 10.783 1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.961 11.079 -0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.770 7.263 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.489 9.991 -2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.295 6.172 -1.072 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.653 7.536 -2.611 1.00 0.00 H new ATOM 574 N LEU A 41 -6.017 8.132 0.189 1.00 0.00 N ATOM 575 CA LEU A 41 -5.412 6.956 -0.425 1.00 0.00 C ATOM 576 C LEU A 41 -5.661 5.712 0.422 1.00 0.00 C ATOM 577 O LEU A 41 -5.778 5.793 1.645 1.00 0.00 O ATOM 578 CB LEU A 41 -3.909 7.168 -0.611 1.00 0.00 C ATOM 579 CG LEU A 41 -3.031 6.849 0.599 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.681 5.370 0.631 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.768 7.698 0.580 1.00 0.00 C ATOM 0 H LEU A 41 -6.128 8.069 1.201 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.874 6.808 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.577 6.554 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.741 8.208 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.592 7.087 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.056 5.163 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.596 4.781 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.140 5.104 -0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.155 7.458 1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.205 7.492 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.039 8.753 0.608 1.00 0.00 H new ATOM 593 N VAL A 42 -5.738 4.558 -0.236 1.00 0.00 N ATOM 594 CA VAL A 42 -5.969 3.297 0.457 1.00 0.00 C ATOM 595 C VAL A 42 -4.789 2.349 0.279 1.00 0.00 C ATOM 596 O VAL A 42 -4.637 1.720 -0.769 1.00 0.00 O ATOM 597 CB VAL A 42 -7.249 2.605 -0.047 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.433 1.258 0.633 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.462 3.496 0.182 1.00 0.00 C ATOM 0 H VAL A 42 -5.644 4.472 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.086 3.534 1.514 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.149 2.433 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.343 0.785 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.577 0.620 0.413 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.511 1.402 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.358 2.991 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.567 3.701 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.331 4.434 -0.357 1.00 0.00 H new ATOM 609 N ARG A 43 -3.955 2.249 1.310 1.00 0.00 N ATOM 610 CA ARG A 43 -2.788 1.378 1.266 1.00 0.00 C ATOM 611 C ARG A 43 -2.991 0.152 2.152 1.00 0.00 C ATOM 612 O ARG A 43 -3.793 0.175 3.084 1.00 0.00 O ATOM 613 CB ARG A 43 -1.539 2.140 1.711 1.00 0.00 C ATOM 614 CG ARG A 43 -1.632 2.688 3.127 1.00 0.00 C ATOM 615 CD ARG A 43 -0.272 3.137 3.640 1.00 0.00 C ATOM 616 NE ARG A 43 0.438 2.060 4.323 1.00 0.00 N ATOM 617 CZ ARG A 43 0.180 1.684 5.571 1.00 0.00 C ATOM 618 NH1 ARG A 43 -0.767 2.296 6.268 1.00 0.00 N ATOM 619 NH2 ARG A 43 0.870 0.694 6.123 1.00 0.00 N ATOM 0 H ARG A 43 -4.067 2.761 2.185 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.654 1.044 0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.676 1.478 1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.363 2.966 1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.326 3.528 3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.037 1.923 3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.330 3.496 2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.401 3.976 4.323 1.00 0.00 H new ATOM 0 HE ARG A 43 1.173 1.569 3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.299 3.057 5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.963 2.006 7.226 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.599 0.221 5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.671 0.406 7.081 1.00 0.00 H new ATOM 633 N GLU A 44 -2.260 -0.916 1.854 1.00 0.00 N ATOM 634 CA GLU A 44 -2.361 -2.152 2.622 1.00 0.00 C ATOM 635 C GLU A 44 -1.116 -2.363 3.477 1.00 0.00 C ATOM 636 O GLU A 44 0.009 -2.181 3.012 1.00 0.00 O ATOM 637 CB GLU A 44 -2.561 -3.345 1.687 1.00 0.00 C ATOM 638 CG GLU A 44 -2.461 -4.691 2.386 1.00 0.00 C ATOM 639 CD GLU A 44 -3.163 -5.799 1.625 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.189 -6.304 2.125 1.00 0.00 O ATOM 641 OE2 GLU A 44 -2.685 -6.161 0.529 1.00 0.00 O ATOM 0 H GLU A 44 -1.590 -0.951 1.085 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.224 -2.070 3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.539 -3.264 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.816 -3.302 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.411 -4.952 2.514 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.893 -4.611 3.384 1.00 0.00 H new ATOM 649 N SER A 45 -1.326 -2.751 4.732 1.00 0.00 N ATOM 650 CA SER A 45 -0.222 -2.984 5.655 1.00 0.00 C ATOM 651 C SER A 45 0.721 -4.055 5.114 1.00 0.00 C ATOM 652 O SER A 45 0.289 -5.006 4.465 1.00 0.00 O ATOM 653 CB SER A 45 -0.755 -3.404 7.026 1.00 0.00 C ATOM 654 OG SER A 45 0.306 -3.684 7.922 1.00 0.00 O ATOM 0 H SER A 45 -2.251 -2.910 5.132 1.00 0.00 H new ATOM 0 HA SER A 45 0.334 -2.053 5.759 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.381 -2.611 7.435 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.387 -4.285 6.919 1.00 0.00 H new ATOM 0 HG SER A 45 0.349 -4.649 8.086 1.00 0.00 H new ATOM 660 N GLU A 46 2.012 -3.890 5.386 1.00 0.00 N ATOM 661 CA GLU A 46 3.017 -4.841 4.927 1.00 0.00 C ATOM 662 C GLU A 46 2.811 -6.207 5.576 1.00 0.00 C ATOM 663 O GLU A 46 2.549 -6.303 6.775 1.00 0.00 O ATOM 664 CB GLU A 46 4.423 -4.323 5.238 1.00 0.00 C ATOM 665 CG GLU A 46 4.965 -3.367 4.189 1.00 0.00 C ATOM 666 CD GLU A 46 6.472 -3.213 4.264 1.00 0.00 C ATOM 667 OE1 GLU A 46 6.949 -2.059 4.281 1.00 0.00 O ATOM 668 OE2 GLU A 46 7.172 -4.245 4.305 1.00 0.00 O ATOM 0 H GLU A 46 2.386 -3.107 5.922 1.00 0.00 H new ATOM 0 HA GLU A 46 2.909 -4.951 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.410 -3.819 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.102 -5.171 5.330 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.689 -3.727 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.497 -2.391 4.316 1.00 0.00 H new ATOM 676 N SER A 47 2.931 -7.261 4.776 1.00 0.00 N ATOM 677 CA SER A 47 2.754 -8.621 5.270 1.00 0.00 C ATOM 678 C SER A 47 1.417 -8.767 5.990 1.00 0.00 C ATOM 679 O SER A 47 1.322 -9.444 7.014 1.00 0.00 O ATOM 680 CB SER A 47 3.898 -8.995 6.214 1.00 0.00 C ATOM 681 OG SER A 47 5.144 -8.972 5.541 1.00 0.00 O ATOM 0 H SER A 47 3.150 -7.199 3.782 1.00 0.00 H new ATOM 0 HA SER A 47 2.762 -9.297 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.922 -8.301 7.054 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.723 -9.988 6.627 1.00 0.00 H new ATOM 0 HG SER A 47 5.858 -9.213 6.167 1.00 0.00 H new ATOM 687 N SER A 48 0.386 -8.128 5.445 1.00 0.00 N ATOM 688 CA SER A 48 -0.946 -8.184 6.035 1.00 0.00 C ATOM 689 C SER A 48 -1.995 -8.511 4.978 1.00 0.00 C ATOM 690 O SER A 48 -2.631 -7.627 4.402 1.00 0.00 O ATOM 691 CB SER A 48 -1.283 -6.854 6.711 1.00 0.00 C ATOM 692 OG SER A 48 -0.369 -6.565 7.755 1.00 0.00 O ATOM 0 H SER A 48 0.448 -7.566 4.596 1.00 0.00 H new ATOM 0 HA SER A 48 -0.952 -8.976 6.784 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.262 -6.052 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.296 -6.893 7.111 1.00 0.00 H new ATOM 0 HG SER A 48 0.537 -6.495 7.387 1.00 0.00 H new ATOM 698 N PRO A 49 -2.184 -9.812 4.716 1.00 0.00 N ATOM 699 CA PRO A 49 -3.157 -10.287 3.727 1.00 0.00 C ATOM 700 C PRO A 49 -4.598 -10.070 4.178 1.00 0.00 C ATOM 701 O PRO A 49 -5.083 -10.745 5.085 1.00 0.00 O ATOM 702 CB PRO A 49 -2.851 -11.784 3.618 1.00 0.00 C ATOM 703 CG PRO A 49 -2.229 -12.139 4.926 1.00 0.00 C ATOM 704 CD PRO A 49 -1.463 -10.921 5.364 1.00 0.00 C ATOM 0 HA PRO A 49 -3.071 -9.750 2.782 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.758 -12.362 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.175 -11.991 2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.989 -12.407 5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.568 -13.000 4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.459 -10.818 6.449 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.422 -10.965 5.044 1.00 0.00 H new ATOM 712 N GLY A 50 -5.276 -9.122 3.540 1.00 0.00 N ATOM 713 CA GLY A 50 -6.654 -8.833 3.890 1.00 0.00 C ATOM 714 C GLY A 50 -6.810 -7.485 4.568 1.00 0.00 C ATOM 715 O GLY A 50 -7.615 -6.659 4.141 1.00 0.00 O ATOM 0 H GLY A 50 -4.896 -8.549 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.267 -8.856 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.029 -9.614 4.551 1.00 0.00 H new ATOM 719 N GLN A 51 -6.038 -7.266 5.627 1.00 0.00 N ATOM 720 CA GLN A 51 -6.096 -6.010 6.366 1.00 0.00 C ATOM 721 C GLN A 51 -5.783 -4.827 5.455 1.00 0.00 C ATOM 722 O GLN A 51 -5.029 -4.955 4.490 1.00 0.00 O ATOM 723 CB GLN A 51 -5.114 -6.038 7.539 1.00 0.00 C ATOM 724 CG GLN A 51 -5.717 -6.582 8.824 1.00 0.00 C ATOM 725 CD GLN A 51 -6.531 -5.543 9.571 1.00 0.00 C ATOM 726 OE1 GLN A 51 -6.660 -4.401 9.128 1.00 0.00 O ATOM 727 NE2 GLN A 51 -7.087 -5.934 10.712 1.00 0.00 N ATOM 0 H GLN A 51 -5.366 -7.941 5.992 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.109 -5.891 6.751 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.252 -6.646 7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.747 -5.028 7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.352 -7.436 8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.918 -6.946 9.470 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.955 -6.890 11.043 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.646 -5.278 11.258 1.00 0.00 H new ATOM 736 N LEU A 52 -6.369 -3.676 5.768 1.00 0.00 N ATOM 737 CA LEU A 52 -6.153 -2.469 4.976 1.00 0.00 C ATOM 738 C LEU A 52 -6.154 -1.228 5.865 1.00 0.00 C ATOM 739 O LEU A 52 -6.502 -1.297 7.044 1.00 0.00 O ATOM 740 CB LEU A 52 -7.233 -2.341 3.901 1.00 0.00 C ATOM 741 CG LEU A 52 -7.290 -3.470 2.871 1.00 0.00 C ATOM 742 CD1 LEU A 52 -8.526 -3.330 1.995 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.029 -3.483 2.021 1.00 0.00 C ATOM 0 H LEU A 52 -6.996 -3.553 6.563 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.178 -2.549 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.203 -2.276 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.081 -1.400 3.372 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.352 -4.419 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.550 -4.142 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.420 -3.373 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.494 -2.375 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.088 -4.293 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.933 -2.532 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.160 -3.633 2.662 1.00 0.00 H new ATOM 755 N SER A 53 -5.766 -0.095 5.290 1.00 0.00 N ATOM 756 CA SER A 53 -5.722 1.161 6.030 1.00 0.00 C ATOM 757 C SER A 53 -5.961 2.347 5.101 1.00 0.00 C ATOM 758 O SER A 53 -5.381 2.427 4.016 1.00 0.00 O ATOM 759 CB SER A 53 -4.373 1.316 6.735 1.00 0.00 C ATOM 760 OG SER A 53 -4.111 0.209 7.580 1.00 0.00 O ATOM 0 H SER A 53 -5.478 -0.020 4.314 1.00 0.00 H new ATOM 0 HA SER A 53 -6.515 1.141 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.580 1.408 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.369 2.235 7.322 1.00 0.00 H new ATOM 0 HG SER A 53 -3.243 0.330 8.018 1.00 0.00 H new ATOM 766 N ILE A 54 -6.819 3.265 5.533 1.00 0.00 N ATOM 767 CA ILE A 54 -7.134 4.449 4.741 1.00 0.00 C ATOM 768 C ILE A 54 -6.337 5.657 5.218 1.00 0.00 C ATOM 769 O ILE A 54 -6.731 6.339 6.165 1.00 0.00 O ATOM 770 CB ILE A 54 -8.636 4.783 4.801 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.456 3.653 4.173 1.00 0.00 C ATOM 772 CG2 ILE A 54 -8.915 6.102 4.097 1.00 0.00 C ATOM 773 CD1 ILE A 54 -10.842 3.512 4.763 1.00 0.00 C ATOM 0 H ILE A 54 -7.308 3.212 6.426 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.862 4.221 3.711 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.930 4.884 5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.543 3.830 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.919 2.713 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.981 6.323 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.355 6.900 4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.610 6.029 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.365 2.693 4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.764 3.303 5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.397 4.438 4.614 1.00 0.00 H new ATOM 785 N SER A 55 -5.216 5.920 4.554 1.00 0.00 N ATOM 786 CA SER A 55 -4.362 7.047 4.912 1.00 0.00 C ATOM 787 C SER A 55 -4.741 8.291 4.113 1.00 0.00 C ATOM 788 O SER A 55 -4.177 8.559 3.052 1.00 0.00 O ATOM 789 CB SER A 55 -2.893 6.698 4.667 1.00 0.00 C ATOM 790 OG SER A 55 -2.384 5.876 5.702 1.00 0.00 O ATOM 0 H SER A 55 -4.878 5.368 3.765 1.00 0.00 H new ATOM 0 HA SER A 55 -4.506 7.259 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.792 6.187 3.710 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.305 7.613 4.603 1.00 0.00 H new ATOM 0 HG SER A 55 -1.444 5.666 5.521 1.00 0.00 H new ATOM 796 N LEU A 56 -5.703 9.047 4.631 1.00 0.00 N ATOM 797 CA LEU A 56 -6.159 10.265 3.968 1.00 0.00 C ATOM 798 C LEU A 56 -5.542 11.501 4.615 1.00 0.00 C ATOM 799 O LEU A 56 -5.542 11.639 5.838 1.00 0.00 O ATOM 800 CB LEU A 56 -7.686 10.355 4.021 1.00 0.00 C ATOM 801 CG LEU A 56 -8.272 11.096 5.224 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.187 12.599 5.017 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.715 10.670 5.459 1.00 0.00 C ATOM 0 H LEU A 56 -6.182 8.839 5.507 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.839 10.225 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.033 10.847 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.091 9.343 4.010 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.688 10.838 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.608 13.110 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.144 12.891 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.748 12.876 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.117 11.206 6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.311 10.901 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.751 9.598 5.651 1.00 0.00 H new ATOM 815 N ARG A 57 -5.021 12.398 3.784 1.00 0.00 N ATOM 816 CA ARG A 57 -4.402 13.624 4.275 1.00 0.00 C ATOM 817 C ARG A 57 -5.440 14.733 4.428 1.00 0.00 C ATOM 818 O ARG A 57 -6.235 14.983 3.522 1.00 0.00 O ATOM 819 CB ARG A 57 -3.294 14.077 3.323 1.00 0.00 C ATOM 820 CG ARG A 57 -2.337 15.084 3.938 1.00 0.00 C ATOM 821 CD ARG A 57 -1.177 14.395 4.638 1.00 0.00 C ATOM 822 NE ARG A 57 -0.347 15.338 5.383 1.00 0.00 N ATOM 823 CZ ARG A 57 0.928 15.118 5.683 1.00 0.00 C ATOM 824 NH1 ARG A 57 1.516 13.992 5.305 1.00 0.00 N ATOM 825 NH2 ARG A 57 1.617 16.026 6.363 1.00 0.00 N ATOM 0 H ARG A 57 -5.015 12.299 2.769 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.969 13.417 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.729 13.204 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.747 14.515 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.953 15.745 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.874 15.709 4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.564 13.637 5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.564 13.878 3.900 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.770 16.214 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.989 13.292 4.782 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.495 13.825 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.167 16.894 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.596 15.856 6.593 1.00 0.00 H new ATOM 839 N TYR A 58 -5.427 15.392 5.582 1.00 0.00 N ATOM 840 CA TYR A 58 -6.368 16.472 5.855 1.00 0.00 C ATOM 841 C TYR A 58 -5.786 17.458 6.863 1.00 0.00 C ATOM 842 O TYR A 58 -5.504 17.099 8.006 1.00 0.00 O ATOM 843 CB TYR A 58 -7.687 15.905 6.382 1.00 0.00 C ATOM 844 CG TYR A 58 -8.651 16.964 6.865 1.00 0.00 C ATOM 845 CD1 TYR A 58 -8.516 17.530 8.127 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.696 17.399 6.060 1.00 0.00 C ATOM 847 CE1 TYR A 58 -9.397 18.498 8.573 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.579 18.367 6.497 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.426 18.913 7.754 1.00 0.00 C ATOM 850 OH TYR A 58 -11.302 19.878 8.194 1.00 0.00 O ATOM 0 H TYR A 58 -4.776 15.197 6.343 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.556 17.003 4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.164 15.324 5.593 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.476 15.217 7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.710 17.209 8.770 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.820 16.973 5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.280 18.927 9.557 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.385 18.695 5.857 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.967 20.058 7.497 1.00 0.00 H new ATOM 860 N GLU A 59 -5.612 18.702 6.430 1.00 0.00 N ATOM 861 CA GLU A 59 -5.065 19.742 7.295 1.00 0.00 C ATOM 862 C GLU A 59 -3.597 19.468 7.611 1.00 0.00 C ATOM 863 O GLU A 59 -3.135 19.714 8.725 1.00 0.00 O ATOM 864 CB GLU A 59 -5.870 19.834 8.592 1.00 0.00 C ATOM 865 CG GLU A 59 -5.892 21.228 9.198 1.00 0.00 C ATOM 866 CD GLU A 59 -4.628 21.547 9.973 1.00 0.00 C ATOM 867 OE1 GLU A 59 -4.537 21.140 11.150 1.00 0.00 O ATOM 868 OE2 GLU A 59 -3.731 22.201 9.404 1.00 0.00 O ATOM 0 H GLU A 59 -5.841 19.015 5.487 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.134 20.693 6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.894 19.516 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.452 19.138 9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.022 21.963 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.753 21.319 9.861 1.00 0.00 H new ATOM 876 N GLY A 60 -2.870 18.958 6.622 1.00 0.00 N ATOM 877 CA GLY A 60 -1.462 18.658 6.816 1.00 0.00 C ATOM 878 C GLY A 60 -1.237 17.577 7.854 1.00 0.00 C ATOM 879 O GLY A 60 -0.381 17.717 8.728 1.00 0.00 O ATOM 0 H GLY A 60 -3.229 18.747 5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.027 18.343 5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.939 19.565 7.121 1.00 0.00 H new ATOM 883 N ARG A 61 -2.006 16.498 7.760 1.00 0.00 N ATOM 884 CA ARG A 61 -1.888 15.392 8.701 1.00 0.00 C ATOM 885 C ARG A 61 -2.335 14.082 8.059 1.00 0.00 C ATOM 886 O ARG A 61 -3.232 14.066 7.213 1.00 0.00 O ATOM 887 CB ARG A 61 -2.721 15.667 9.954 1.00 0.00 C ATOM 888 CG ARG A 61 -2.142 16.755 10.843 1.00 0.00 C ATOM 889 CD ARG A 61 -2.769 16.736 12.229 1.00 0.00 C ATOM 890 NE ARG A 61 -2.364 15.562 12.996 1.00 0.00 N ATOM 891 CZ ARG A 61 -1.228 15.486 13.680 1.00 0.00 C ATOM 892 NH1 ARG A 61 -0.389 16.511 13.691 1.00 0.00 N ATOM 893 NH2 ARG A 61 -0.930 14.383 14.356 1.00 0.00 N ATOM 0 H ARG A 61 -2.718 16.366 7.041 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.839 15.300 8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.729 15.953 9.654 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.809 14.746 10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.064 16.621 10.929 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.306 17.729 10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.482 17.638 12.769 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.855 16.751 12.136 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.988 14.755 13.007 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.615 17.361 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.483 16.451 14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.574 13.592 14.351 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.057 14.327 14.881 1.00 0.00 H new ATOM 907 N VAL A 62 -1.704 12.984 8.464 1.00 0.00 N ATOM 908 CA VAL A 62 -2.038 11.669 7.928 1.00 0.00 C ATOM 909 C VAL A 62 -2.913 10.886 8.900 1.00 0.00 C ATOM 910 O VAL A 62 -2.478 10.532 9.998 1.00 0.00 O ATOM 911 CB VAL A 62 -0.770 10.850 7.622 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.128 9.566 6.888 1.00 0.00 C ATOM 913 CG2 VAL A 62 0.216 11.680 6.813 1.00 0.00 C ATOM 0 H VAL A 62 -0.959 12.979 9.161 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.588 11.834 7.001 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.295 10.580 8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.220 9.000 6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.795 8.967 7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.626 9.810 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.106 11.087 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.247 11.981 5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.496 12.568 7.380 1.00 0.00 H new ATOM 923 N TYR A 63 -4.148 10.616 8.492 1.00 0.00 N ATOM 924 CA TYR A 63 -5.085 9.875 9.328 1.00 0.00 C ATOM 925 C TYR A 63 -5.315 8.472 8.775 1.00 0.00 C ATOM 926 O TYR A 63 -5.637 8.299 7.600 1.00 0.00 O ATOM 927 CB TYR A 63 -6.417 10.623 9.421 1.00 0.00 C ATOM 928 CG TYR A 63 -6.289 12.021 9.982 1.00 0.00 C ATOM 929 CD1 TYR A 63 -5.690 12.244 11.215 1.00 0.00 C ATOM 930 CD2 TYR A 63 -6.768 13.119 9.278 1.00 0.00 C ATOM 931 CE1 TYR A 63 -5.572 13.519 11.731 1.00 0.00 C ATOM 932 CE2 TYR A 63 -6.652 14.398 9.786 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.054 14.594 11.014 1.00 0.00 C ATOM 934 OH TYR A 63 -5.938 15.866 11.523 1.00 0.00 O ATOM 0 H TYR A 63 -4.524 10.899 7.587 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.654 9.787 10.325 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.863 10.679 8.428 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.102 10.051 10.046 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.310 11.406 11.780 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.239 12.970 8.318 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.104 13.674 12.692 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.028 15.241 9.225 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.549 16.456 10.844 1.00 0.00 H new ATOM 944 N HIS A 64 -5.146 7.472 9.635 1.00 0.00 N ATOM 945 CA HIS A 64 -5.337 6.081 9.236 1.00 0.00 C ATOM 946 C HIS A 64 -6.627 5.519 9.823 1.00 0.00 C ATOM 947 O HIS A 64 -7.048 5.908 10.912 1.00 0.00 O ATOM 948 CB HIS A 64 -4.147 5.233 9.686 1.00 0.00 C ATOM 949 CG HIS A 64 -4.132 4.951 11.157 1.00 0.00 C ATOM 950 ND1 HIS A 64 -4.109 3.675 11.679 1.00 0.00 N ATOM 951 CD2 HIS A 64 -4.138 5.791 12.218 1.00 0.00 C ATOM 952 CE1 HIS A 64 -4.102 3.741 12.998 1.00 0.00 C ATOM 953 NE2 HIS A 64 -4.119 5.015 13.352 1.00 0.00 N ATOM 0 H HIS A 64 -4.878 7.598 10.611 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.409 6.047 8.149 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.160 4.288 9.144 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.224 5.744 9.413 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.155 6.870 12.181 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.085 2.898 13.673 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.118 5.365 14.310 1.00 0.00 H new ATOM 962 N TYR A 65 -7.253 4.601 9.093 1.00 0.00 N ATOM 963 CA TYR A 65 -8.498 3.988 9.540 1.00 0.00 C ATOM 964 C TYR A 65 -8.457 2.475 9.352 1.00 0.00 C ATOM 965 O TYR A 65 -8.551 1.974 8.231 1.00 0.00 O ATOM 966 CB TYR A 65 -9.684 4.576 8.773 1.00 0.00 C ATOM 967 CG TYR A 65 -9.857 6.064 8.975 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.187 6.978 8.172 1.00 0.00 C ATOM 969 CD2 TYR A 65 -10.692 6.558 9.970 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.341 8.338 8.355 1.00 0.00 C ATOM 971 CE2 TYR A 65 -10.855 7.916 10.158 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.177 8.803 9.348 1.00 0.00 C ATOM 973 OH TYR A 65 -10.334 10.158 9.532 1.00 0.00 O ATOM 0 H TYR A 65 -6.918 4.266 8.190 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.618 4.202 10.602 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.554 4.375 7.710 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.596 4.067 9.085 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.534 6.619 7.391 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.223 5.867 10.608 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.809 9.034 7.723 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.510 8.282 10.935 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.207 10.376 10.479 1.00 0.00 H new ATOM 983 N ARG A 66 -8.318 1.752 10.459 1.00 0.00 N ATOM 984 CA ARG A 66 -8.265 0.295 10.418 1.00 0.00 C ATOM 985 C ARG A 66 -9.604 -0.286 9.973 1.00 0.00 C ATOM 986 O ARG A 66 -10.447 -0.630 10.801 1.00 0.00 O ATOM 987 CB ARG A 66 -7.886 -0.261 11.793 1.00 0.00 C ATOM 988 CG ARG A 66 -7.657 -1.764 11.798 1.00 0.00 C ATOM 989 CD ARG A 66 -6.311 -2.124 11.188 1.00 0.00 C ATOM 990 NE ARG A 66 -5.204 -1.838 12.095 1.00 0.00 N ATOM 991 CZ ARG A 66 -3.926 -1.965 11.758 1.00 0.00 C ATOM 992 NH1 ARG A 66 -3.595 -2.371 10.541 1.00 0.00 N ATOM 993 NH2 ARG A 66 -2.974 -1.686 12.640 1.00 0.00 N ATOM 0 H ARG A 66 -8.240 2.151 11.394 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.504 0.004 9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.981 0.237 12.141 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.676 -0.020 12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.706 -2.137 12.821 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.454 -2.257 11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.302 -3.183 10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.173 -1.567 10.261 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.424 -1.523 13.040 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.323 -2.587 9.860 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.612 -2.468 10.285 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.224 -1.374 13.578 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.993 -1.784 12.379 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.790 -0.391 8.662 1.00 0.00 N ATOM 1008 CA ILE A 67 -11.026 -0.932 8.108 1.00 0.00 C ATOM 1009 C ILE A 67 -11.480 -2.167 8.877 1.00 0.00 C ATOM 1010 O ILE A 67 -10.975 -3.267 8.656 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.864 -1.297 6.621 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.459 -0.062 5.811 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -12.153 -1.894 6.078 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -8.963 0.134 5.716 1.00 0.00 C ATOM 0 H ILE A 67 -9.102 -0.109 7.964 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.781 -0.152 8.202 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.075 -2.043 6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.871 -0.146 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.905 0.823 6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.022 -2.147 5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.402 -2.795 6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.961 -1.169 6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.750 1.027 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.547 0.250 6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.512 -0.734 5.234 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.435 -1.977 9.780 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.958 -3.078 10.582 1.00 0.00 C ATOM 1028 C ASN A 68 -13.574 -4.155 9.693 1.00 0.00 C ATOM 1029 O ASN A 68 -14.022 -3.876 8.581 1.00 0.00 O ATOM 1030 CB ASN A 68 -14.003 -2.562 11.575 1.00 0.00 C ATOM 1031 CG ASN A 68 -13.506 -1.369 12.369 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -12.391 -1.379 12.892 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -14.332 -0.335 12.463 1.00 0.00 N ATOM 0 H ASN A 68 -12.863 -1.072 9.975 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.128 -3.518 11.134 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.908 -2.284 11.034 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.275 -3.364 12.261 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.052 0.495 12.985 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.247 -0.371 12.013 1.00 0.00 H new ATOM 1040 N THR A 69 -13.594 -5.386 10.192 1.00 0.00 N ATOM 1041 CA THR A 69 -14.153 -6.505 9.444 1.00 0.00 C ATOM 1042 C THR A 69 -14.954 -7.430 10.354 1.00 0.00 C ATOM 1043 O THR A 69 -14.619 -7.608 11.526 1.00 0.00 O ATOM 1044 CB THR A 69 -13.050 -7.321 8.743 1.00 0.00 C ATOM 1045 OG1 THR A 69 -11.944 -6.471 8.421 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.582 -7.975 7.477 1.00 0.00 C ATOM 0 H THR A 69 -13.229 -5.634 11.112 1.00 0.00 H new ATOM 0 HA THR A 69 -14.815 -6.080 8.689 1.00 0.00 H new ATOM 0 HB THR A 69 -12.719 -8.105 9.424 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.246 -6.996 7.977 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.785 -8.545 7.000 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.405 -8.643 7.731 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.938 -7.206 6.792 1.00 0.00 H new ATOM 1054 N THR A 70 -16.013 -8.020 9.809 1.00 0.00 N ATOM 1055 CA THR A 70 -16.861 -8.927 10.571 1.00 0.00 C ATOM 1056 C THR A 70 -16.581 -10.379 10.205 1.00 0.00 C ATOM 1057 O THR A 70 -16.839 -10.806 9.081 1.00 0.00 O ATOM 1058 CB THR A 70 -18.354 -8.628 10.338 1.00 0.00 C ATOM 1059 OG1 THR A 70 -18.768 -9.160 9.075 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.618 -7.131 10.375 1.00 0.00 C ATOM 0 H THR A 70 -16.304 -7.885 8.841 1.00 0.00 H new ATOM 0 HA THR A 70 -16.627 -8.770 11.624 1.00 0.00 H new ATOM 0 HB THR A 70 -18.926 -9.101 11.136 1.00 0.00 H new ATOM 0 HG1 THR A 70 -18.011 -9.612 8.647 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.679 -6.944 10.208 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.329 -6.734 11.348 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.036 -6.640 9.595 1.00 0.00 H new ATOM 1068 N ALA A 71 -16.054 -11.135 11.162 1.00 0.00 N ATOM 1069 CA ALA A 71 -15.742 -12.542 10.940 1.00 0.00 C ATOM 1070 C ALA A 71 -14.893 -12.724 9.686 1.00 0.00 C ATOM 1071 O ALA A 71 -14.901 -13.791 9.071 1.00 0.00 O ATOM 1072 CB ALA A 71 -17.022 -13.356 10.837 1.00 0.00 C ATOM 0 H ALA A 71 -15.834 -10.797 12.099 1.00 0.00 H new ATOM 0 HA ALA A 71 -15.165 -12.900 11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.774 -14.404 10.671 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -17.590 -13.259 11.762 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.621 -12.989 10.004 1.00 0.00 H new ATOM 1078 N ASP A 72 -14.163 -11.679 9.312 1.00 0.00 N ATOM 1079 CA ASP A 72 -13.311 -11.725 8.131 1.00 0.00 C ATOM 1080 C ASP A 72 -14.144 -11.672 6.855 1.00 0.00 C ATOM 1081 O ASP A 72 -13.942 -12.465 5.936 1.00 0.00 O ATOM 1082 CB ASP A 72 -12.454 -12.992 8.144 1.00 0.00 C ATOM 1083 CG ASP A 72 -11.264 -12.897 7.209 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -10.643 -11.815 7.148 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -10.953 -13.904 6.540 1.00 0.00 O ATOM 0 H ASP A 72 -14.145 -10.789 9.811 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.658 -10.853 8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.101 -13.178 9.158 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.069 -13.846 7.859 1.00 0.00 H new ATOM 1091 N GLY A 73 -15.084 -10.732 6.807 1.00 0.00 N ATOM 1092 CA GLY A 73 -15.935 -10.595 5.639 1.00 0.00 C ATOM 1093 C GLY A 73 -16.251 -9.148 5.320 1.00 0.00 C ATOM 1094 O GLY A 73 -15.441 -8.446 4.714 1.00 0.00 O ATOM 0 H GLY A 73 -15.271 -10.064 7.555 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.445 -11.055 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.865 -11.139 5.805 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.433 -8.697 5.726 1.00 0.00 N ATOM 1099 CA LYS A 74 -17.856 -7.324 5.480 1.00 0.00 C ATOM 1100 C LYS A 74 -16.852 -6.333 6.062 1.00 0.00 C ATOM 1101 O LYS A 74 -16.124 -6.653 7.001 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.241 -7.079 6.085 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.345 -7.886 5.424 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.618 -7.872 6.254 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.777 -8.515 5.506 1.00 0.00 C ATOM 1106 NZ LYS A 74 -22.587 -9.983 5.348 1.00 0.00 N ATOM 0 H LYS A 74 -18.116 -9.264 6.228 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.906 -7.173 4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.212 -7.321 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.480 -6.019 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.551 -7.480 4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.012 -8.914 5.284 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.449 -8.403 7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.875 -6.844 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.706 -8.325 6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.876 -8.054 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.397 -10.385 4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.713 -10.164 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -22.518 -10.427 6.286 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.822 -5.130 5.499 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.910 -4.092 5.962 1.00 0.00 C ATOM 1122 C VAL A 75 -16.634 -2.763 6.139 1.00 0.00 C ATOM 1123 O VAL A 75 -17.527 -2.422 5.363 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.736 -3.897 4.984 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.887 -5.158 4.912 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.250 -3.511 3.605 1.00 0.00 C ATOM 0 H VAL A 75 -17.419 -4.850 4.721 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.520 -4.422 6.925 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.109 -3.085 5.353 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.062 -5.002 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.489 -5.386 5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.500 -5.990 4.567 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.407 -3.377 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.900 -4.299 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.812 -2.579 3.674 1.00 0.00 H new ATOM 1136 N TYR A 76 -16.245 -2.014 7.165 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.858 -0.721 7.445 1.00 0.00 C ATOM 1138 C TYR A 76 -16.148 -0.019 8.599 1.00 0.00 C ATOM 1139 O TYR A 76 -15.895 -0.618 9.644 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.340 -0.899 7.777 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.589 -1.472 9.154 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -18.180 -2.759 9.476 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -19.234 -0.726 10.132 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -18.405 -3.287 10.732 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -19.462 -1.246 11.393 1.00 0.00 C ATOM 1146 CZ TYR A 76 -19.046 -2.527 11.687 1.00 0.00 C ATOM 1147 OH TYR A 76 -19.272 -3.048 12.940 1.00 0.00 O ATOM 0 H TYR A 76 -15.507 -2.280 7.817 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.763 -0.101 6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.839 0.067 7.699 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.794 -1.554 7.033 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.677 -3.358 8.731 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -19.563 0.277 9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -18.080 -4.290 10.965 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -19.963 -0.652 12.143 1.00 0.00 H new ATOM 0 HH TYR A 76 -19.733 -2.383 13.493 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.829 1.256 8.400 1.00 0.00 N ATOM 1158 CA VAL A 77 -15.150 2.042 9.424 1.00 0.00 C ATOM 1159 C VAL A 77 -16.117 2.993 10.119 1.00 0.00 C ATOM 1160 O VAL A 77 -16.091 4.202 9.888 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.987 2.856 8.826 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.946 1.931 8.215 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.506 3.845 7.793 1.00 0.00 C ATOM 0 H VAL A 77 -16.030 1.766 7.540 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.753 1.336 10.154 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.510 3.420 9.628 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.132 2.524 7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.553 1.267 8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.405 1.338 7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.671 4.412 7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -15.008 3.304 6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -15.211 4.529 8.266 1.00 0.00 H new ATOM 1173 N THR A 78 -16.971 2.438 10.975 1.00 0.00 N ATOM 1174 CA THR A 78 -17.948 3.236 11.704 1.00 0.00 C ATOM 1175 C THR A 78 -18.780 2.366 12.640 1.00 0.00 C ATOM 1176 O THR A 78 -18.757 1.139 12.546 1.00 0.00 O ATOM 1177 CB THR A 78 -18.891 3.985 10.744 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.957 4.595 11.480 1.00 0.00 O ATOM 1179 CG2 THR A 78 -19.468 3.038 9.702 1.00 0.00 C ATOM 0 H THR A 78 -17.005 1.439 11.180 1.00 0.00 H new ATOM 0 HA THR A 78 -17.387 3.963 12.291 1.00 0.00 H new ATOM 0 HB THR A 78 -18.314 4.756 10.233 1.00 0.00 H new ATOM 0 HG1 THR A 78 -20.551 5.071 10.862 1.00 0.00 H new ATOM 0 HG21 THR A 78 -20.131 3.590 9.036 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.657 2.596 9.123 1.00 0.00 H new ATOM 0 HG23 THR A 78 -20.030 2.248 10.200 1.00 0.00 H new ATOM 1187 N ALA A 79 -19.513 3.009 13.542 1.00 0.00 N ATOM 1188 CA ALA A 79 -20.354 2.294 14.493 1.00 0.00 C ATOM 1189 C ALA A 79 -21.829 2.616 14.272 1.00 0.00 C ATOM 1190 O ALA A 79 -22.707 1.946 14.817 1.00 0.00 O ATOM 1191 CB ALA A 79 -19.947 2.635 15.920 1.00 0.00 C ATOM 0 H ALA A 79 -19.541 4.024 13.634 1.00 0.00 H new ATOM 0 HA ALA A 79 -20.213 1.225 14.332 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.584 2.093 16.619 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -18.907 2.349 16.080 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.058 3.707 16.084 1.00 0.00 H new ATOM 1197 N GLU A 80 -22.093 3.642 13.470 1.00 0.00 N ATOM 1198 CA GLU A 80 -23.462 4.051 13.179 1.00 0.00 C ATOM 1199 C GLU A 80 -24.080 3.158 12.108 1.00 0.00 C ATOM 1200 O GLU A 80 -25.209 2.689 12.252 1.00 0.00 O ATOM 1201 CB GLU A 80 -23.495 5.512 12.723 1.00 0.00 C ATOM 1202 CG GLU A 80 -22.873 6.475 13.720 1.00 0.00 C ATOM 1203 CD GLU A 80 -23.165 7.926 13.389 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -22.303 8.784 13.673 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -24.255 8.204 12.848 1.00 0.00 O ATOM 0 H GLU A 80 -21.377 4.205 13.010 1.00 0.00 H new ATOM 0 HA GLU A 80 -24.047 3.950 14.093 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.971 5.599 11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -24.530 5.805 12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -23.249 6.251 14.719 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.794 6.321 13.743 1.00 0.00 H new ATOM 1213 N SER A 81 -23.333 2.928 11.034 1.00 0.00 N ATOM 1214 CA SER A 81 -23.807 2.094 9.936 1.00 0.00 C ATOM 1215 C SER A 81 -22.763 1.051 9.554 1.00 0.00 C ATOM 1216 O SER A 81 -21.735 0.913 10.218 1.00 0.00 O ATOM 1217 CB SER A 81 -24.148 2.961 8.722 1.00 0.00 C ATOM 1218 OG SER A 81 -23.092 3.856 8.422 1.00 0.00 O ATOM 0 H SER A 81 -22.396 3.308 10.900 1.00 0.00 H new ATOM 0 HA SER A 81 -24.706 1.575 10.268 1.00 0.00 H new ATOM 0 HB2 SER A 81 -24.345 2.324 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 81 -25.061 3.523 8.918 1.00 0.00 H new ATOM 0 HG SER A 81 -23.334 4.397 7.642 1.00 0.00 H new ATOM 1224 N ARG A 82 -23.033 0.319 8.478 1.00 0.00 N ATOM 1225 CA ARG A 82 -22.117 -0.713 8.007 1.00 0.00 C ATOM 1226 C ARG A 82 -21.995 -0.678 6.486 1.00 0.00 C ATOM 1227 O ARG A 82 -22.672 0.102 5.816 1.00 0.00 O ATOM 1228 CB ARG A 82 -22.595 -2.094 8.458 1.00 0.00 C ATOM 1229 CG ARG A 82 -22.217 -2.431 9.891 1.00 0.00 C ATOM 1230 CD ARG A 82 -22.289 -3.928 10.149 1.00 0.00 C ATOM 1231 NE ARG A 82 -23.668 -4.410 10.198 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.997 -5.671 10.445 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -23.052 -6.575 10.666 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -25.273 -6.032 10.473 1.00 0.00 N ATOM 0 H ARG A 82 -23.878 0.421 7.916 1.00 0.00 H new ATOM 0 HA ARG A 82 -21.136 -0.517 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.679 -2.145 8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -22.176 -2.849 7.793 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -21.208 -2.074 10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.885 -1.910 10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.748 -4.457 9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.791 -4.158 11.091 1.00 0.00 H new ATOM 0 HE ARG A 82 -24.419 -3.740 10.033 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.070 -6.301 10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -23.308 -7.544 10.856 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -26.003 -5.340 10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -25.525 -7.002 10.663 1.00 0.00 H new ATOM 1248 N PHE A 83 -21.126 -1.528 5.948 1.00 0.00 N ATOM 1249 CA PHE A 83 -20.913 -1.593 4.506 1.00 0.00 C ATOM 1250 C PHE A 83 -20.542 -3.008 4.074 1.00 0.00 C ATOM 1251 O PHE A 83 -19.809 -3.709 4.771 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.813 -0.615 4.087 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.107 0.812 4.454 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -21.249 1.440 3.983 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.242 1.525 5.267 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -21.523 2.752 4.319 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.511 2.837 5.606 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.652 3.452 5.131 1.00 0.00 C ATOM 0 H PHE A 83 -20.558 -2.181 6.488 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.845 -1.314 4.014 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.874 -0.915 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -19.670 -0.682 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.932 0.898 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.347 1.050 5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -22.417 3.230 3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.829 3.381 6.242 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.863 4.478 5.394 1.00 0.00 H new ATOM 1268 N SER A 84 -21.057 -3.423 2.921 1.00 0.00 N ATOM 1269 CA SER A 84 -20.784 -4.756 2.398 1.00 0.00 C ATOM 1270 C SER A 84 -19.284 -4.976 2.226 1.00 0.00 C ATOM 1271 O SER A 84 -18.708 -5.896 2.807 1.00 0.00 O ATOM 1272 CB SER A 84 -21.496 -4.958 1.059 1.00 0.00 C ATOM 1273 OG SER A 84 -20.883 -5.989 0.305 1.00 0.00 O ATOM 0 H SER A 84 -21.666 -2.855 2.331 1.00 0.00 H new ATOM 0 HA SER A 84 -21.161 -5.484 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.543 -5.205 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 84 -21.479 -4.028 0.491 1.00 0.00 H new ATOM 0 HG SER A 84 -21.358 -6.099 -0.545 1.00 0.00 H new ATOM 1279 N THR A 85 -18.654 -4.123 1.423 1.00 0.00 N ATOM 1280 CA THR A 85 -17.223 -4.224 1.173 1.00 0.00 C ATOM 1281 C THR A 85 -16.580 -2.844 1.095 1.00 0.00 C ATOM 1282 O THR A 85 -17.269 -1.824 1.143 1.00 0.00 O ATOM 1283 CB THR A 85 -16.932 -4.987 -0.134 1.00 0.00 C ATOM 1284 OG1 THR A 85 -17.263 -4.170 -1.262 1.00 0.00 O ATOM 1285 CG2 THR A 85 -17.727 -6.284 -0.190 1.00 0.00 C ATOM 0 H THR A 85 -19.114 -3.354 0.935 1.00 0.00 H new ATOM 0 HA THR A 85 -16.795 -4.776 2.010 1.00 0.00 H new ATOM 0 HB THR A 85 -15.869 -5.228 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.074 -4.661 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 85 -17.506 -6.806 -1.121 1.00 0.00 H new ATOM 0 HG22 THR A 85 -17.452 -6.916 0.655 1.00 0.00 H new ATOM 0 HG23 THR A 85 -18.793 -6.060 -0.144 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.258 -2.818 0.971 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.521 -1.561 0.884 1.00 0.00 C ATOM 1295 C LEU A 86 -15.177 -0.613 -0.115 1.00 0.00 C ATOM 1296 O LEU A 86 -15.498 0.528 0.216 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.070 -1.824 0.478 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.040 -0.805 0.966 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.040 -0.731 2.485 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -10.654 -1.155 0.446 1.00 0.00 C ATOM 0 H LEU A 86 -14.674 -3.653 0.928 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.537 -1.091 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.783 -2.807 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.021 -1.868 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.314 0.175 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.301 -0.001 2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.028 -0.430 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.792 -1.709 2.897 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.934 -0.419 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.370 -2.144 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.663 -1.154 -0.644 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.376 -1.095 -1.336 1.00 0.00 N ATOM 1313 CA ALA A 87 -15.998 -0.293 -2.383 1.00 0.00 C ATOM 1314 C ALA A 87 -17.081 0.613 -1.809 1.00 0.00 C ATOM 1315 O ALA A 87 -17.088 1.818 -2.053 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.577 -1.193 -3.464 1.00 0.00 C ATOM 0 H ALA A 87 -15.116 -2.038 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.230 0.340 -2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -17.038 -0.581 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.780 -1.794 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.328 -1.850 -3.026 1.00 0.00 H new ATOM 1322 N GLU A 88 -17.995 0.023 -1.044 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.085 0.778 -0.437 1.00 0.00 C ATOM 1324 C GLU A 88 -18.570 1.656 0.701 1.00 0.00 C ATOM 1325 O GLU A 88 -19.034 2.781 0.892 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.164 -0.172 0.084 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.700 -1.123 -0.972 1.00 0.00 C ATOM 1328 CD GLU A 88 -22.076 -1.660 -0.632 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -22.787 -1.007 0.162 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.443 -2.732 -1.156 1.00 0.00 O ATOM 0 H GLU A 88 -18.002 -0.974 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.518 1.422 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.756 -0.753 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.990 0.415 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.743 -0.607 -1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -20.008 -1.957 -1.089 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.610 1.132 1.456 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.031 1.865 2.577 1.00 0.00 C ATOM 1340 C LEU A 89 -16.446 3.195 2.113 1.00 0.00 C ATOM 1341 O LEU A 89 -16.693 4.239 2.717 1.00 0.00 O ATOM 1342 CB LEU A 89 -15.949 1.027 3.257 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.191 1.706 4.398 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.498 0.672 5.269 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.180 2.704 3.846 1.00 0.00 C ATOM 0 H LEU A 89 -17.216 0.202 1.312 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.826 2.069 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.411 0.119 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.227 0.719 2.501 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.909 2.247 5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.964 1.175 6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.241 -0.004 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.791 0.103 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.649 3.178 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.467 2.184 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.700 3.465 3.264 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.669 3.149 1.034 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.051 4.350 0.487 1.00 0.00 C ATOM 1359 C VAL A 90 -16.033 5.128 -0.382 1.00 0.00 C ATOM 1360 O VAL A 90 -16.030 6.360 -0.391 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.802 4.007 -0.349 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.185 5.271 -0.930 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.790 3.247 0.494 1.00 0.00 C ATOM 0 H VAL A 90 -15.453 2.293 0.523 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.754 4.967 1.335 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.104 3.366 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.305 5.009 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.913 5.770 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.895 5.940 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.915 3.013 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.490 3.861 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.239 2.322 0.855 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.872 4.401 -1.111 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.863 5.022 -1.984 1.00 0.00 C ATOM 1375 C HIS A 91 -18.933 5.741 -1.167 1.00 0.00 C ATOM 1376 O HIS A 91 -19.030 6.968 -1.197 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.513 3.970 -2.884 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.444 4.548 -3.905 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -20.558 5.291 -3.573 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -19.420 4.491 -5.257 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -21.179 5.663 -4.678 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -20.509 5.191 -5.713 1.00 0.00 N ATOM 0 H HIS A 91 -16.886 3.381 -1.115 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.352 5.756 -2.607 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.731 3.407 -3.394 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.062 3.262 -2.263 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -18.682 3.988 -5.864 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -22.082 6.253 -4.727 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -20.760 5.325 -6.693 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.732 4.969 -0.439 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.795 5.531 0.386 1.00 0.00 C ATOM 1393 C HIS A 92 -20.313 6.785 1.110 1.00 0.00 C ATOM 1394 O HIS A 92 -20.967 7.828 1.069 1.00 0.00 O ATOM 1395 CB HIS A 92 -21.283 4.496 1.402 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.337 5.019 2.328 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.663 4.645 2.248 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.257 5.892 3.361 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.351 5.265 3.190 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -23.522 6.027 3.879 1.00 0.00 N ATOM 0 H HIS A 92 -19.664 3.952 -0.403 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.623 5.805 -0.267 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.677 3.631 0.868 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.434 4.148 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.365 6.389 3.712 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.412 5.165 3.367 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -23.779 6.620 4.668 1.00 0.00 H new ATOM 1409 N HIS A 93 -19.167 6.676 1.776 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.599 7.801 2.509 1.00 0.00 C ATOM 1411 C HIS A 93 -18.355 8.988 1.580 1.00 0.00 C ATOM 1412 O HIS A 93 -18.666 10.129 1.921 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.290 7.389 3.183 1.00 0.00 C ATOM 1414 CG HIS A 93 -17.486 6.573 4.423 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -18.551 6.751 5.282 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.747 5.567 4.947 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -18.458 5.893 6.280 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -17.372 5.162 6.101 1.00 0.00 N ATOM 0 H HIS A 93 -18.614 5.820 1.823 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.314 8.102 3.274 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.690 6.819 2.474 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.722 8.285 3.434 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.836 5.159 4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -19.151 5.803 7.103 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -17.050 4.418 6.720 1.00 0.00 H new ATOM 1427 N SER A 94 -17.797 8.709 0.407 1.00 0.00 N ATOM 1428 CA SER A 94 -17.507 9.754 -0.568 1.00 0.00 C ATOM 1429 C SER A 94 -18.551 10.865 -0.501 1.00 0.00 C ATOM 1430 O SER A 94 -18.231 12.044 -0.651 1.00 0.00 O ATOM 1431 CB SER A 94 -17.463 9.165 -1.980 1.00 0.00 C ATOM 1432 OG SER A 94 -17.025 10.129 -2.921 1.00 0.00 O ATOM 0 H SER A 94 -17.537 7.769 0.108 1.00 0.00 H new ATOM 0 HA SER A 94 -16.533 10.180 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.794 8.305 -1.998 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.453 8.805 -2.258 1.00 0.00 H new ATOM 0 HG SER A 94 -16.328 10.688 -2.517 1.00 0.00 H new ATOM 1438 N THR A 95 -19.803 10.479 -0.274 1.00 0.00 N ATOM 1439 CA THR A 95 -20.894 11.441 -0.187 1.00 0.00 C ATOM 1440 C THR A 95 -20.874 12.177 1.149 1.00 0.00 C ATOM 1441 O THR A 95 -20.893 13.407 1.191 1.00 0.00 O ATOM 1442 CB THR A 95 -22.262 10.754 -0.361 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.289 10.017 -1.588 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.386 11.779 -0.355 1.00 0.00 C ATOM 0 H THR A 95 -20.086 9.507 -0.147 1.00 0.00 H new ATOM 0 HA THR A 95 -20.749 12.158 -0.995 1.00 0.00 H new ATOM 0 HB THR A 95 -22.409 10.071 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 95 -23.161 9.582 -1.689 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.342 11.271 -0.479 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.382 12.318 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 95 -23.240 12.484 -1.174 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.835 11.416 2.238 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.810 11.997 3.576 1.00 0.00 C ATOM 1454 C VAL A 96 -19.731 11.349 4.435 1.00 0.00 C ATOM 1455 O VAL A 96 -19.542 10.134 4.401 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.172 11.847 4.278 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.568 10.380 4.365 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.130 12.478 5.662 1.00 0.00 C ATOM 0 H VAL A 96 -20.820 10.396 2.221 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.587 13.057 3.458 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.925 12.369 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.533 10.293 4.864 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.640 9.962 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.815 9.833 4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.101 12.363 6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.366 11.986 6.263 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -21.893 13.538 5.572 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.026 12.169 5.208 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.968 11.676 6.080 1.00 0.00 C ATOM 1470 C ALA A 97 -18.451 10.496 6.917 1.00 0.00 C ATOM 1471 O ALA A 97 -17.732 9.513 7.095 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.463 12.793 6.982 1.00 0.00 C ATOM 0 H ALA A 97 -19.169 13.178 5.248 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.146 11.331 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.673 12.410 7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.070 13.605 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.284 13.165 7.595 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.673 10.600 7.428 1.00 0.00 N ATOM 1479 CA ASP A 98 -20.253 9.541 8.246 1.00 0.00 C ATOM 1480 C ASP A 98 -19.307 9.148 9.377 1.00 0.00 C ATOM 1481 O ASP A 98 -19.176 7.971 9.710 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.572 8.318 7.383 1.00 0.00 C ATOM 1483 CG ASP A 98 -21.552 7.376 8.055 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -22.641 7.151 7.487 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -21.228 6.864 9.146 1.00 0.00 O ATOM 0 H ASP A 98 -20.281 11.407 7.290 1.00 0.00 H new ATOM 0 HA ASP A 98 -21.177 9.918 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.985 8.647 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -19.649 7.781 7.163 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.649 10.144 9.963 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.722 9.881 11.050 1.00 0.00 C ATOM 1493 C GLY A 99 -16.290 9.753 10.572 1.00 0.00 C ATOM 1494 O GLY A 99 -15.534 8.919 11.071 1.00 0.00 O ATOM 0 H GLY A 99 -18.741 11.127 9.705 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.787 10.686 11.782 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -18.015 8.963 11.559 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.913 10.579 9.601 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.563 10.554 9.054 1.00 0.00 C ATOM 1500 C LEU A 100 -13.975 11.959 8.989 1.00 0.00 C ATOM 1501 O LEU A 100 -14.695 12.936 8.782 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.567 9.925 7.659 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.583 8.398 7.611 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.869 7.910 6.199 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.262 7.834 8.114 1.00 0.00 C ATOM 0 H LEU A 100 -16.526 11.275 9.177 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.942 9.951 9.716 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.438 10.295 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.686 10.276 7.122 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.380 8.043 8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.876 6.820 6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -15.840 8.284 5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.096 8.276 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.292 6.745 8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.448 8.199 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.098 8.154 9.143 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.661 12.054 9.163 1.00 0.00 N ATOM 1518 CA VAL A 101 -11.974 13.341 9.121 1.00 0.00 C ATOM 1519 C VAL A 101 -12.552 14.236 8.032 1.00 0.00 C ATOM 1520 O VAL A 101 -12.615 15.455 8.184 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.464 13.162 8.878 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.208 12.639 7.474 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -9.730 14.474 9.109 1.00 0.00 C ATOM 0 H VAL A 101 -12.050 11.255 9.334 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.124 13.813 10.092 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.083 12.428 9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.136 12.519 7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.703 11.676 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.602 13.347 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.664 14.330 8.933 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.112 15.230 8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.887 14.803 10.136 1.00 0.00 H new ATOM 1533 N THR A 102 -12.973 13.622 6.930 1.00 0.00 N ATOM 1534 CA THR A 102 -13.547 14.363 5.813 1.00 0.00 C ATOM 1535 C THR A 102 -14.048 13.419 4.727 1.00 0.00 C ATOM 1536 O THR A 102 -13.557 12.298 4.588 1.00 0.00 O ATOM 1537 CB THR A 102 -12.520 15.334 5.200 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.188 16.288 4.364 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.479 14.581 4.386 1.00 0.00 C ATOM 0 H THR A 102 -12.927 12.613 6.787 1.00 0.00 H new ATOM 0 HA THR A 102 -14.387 14.934 6.209 1.00 0.00 H new ATOM 0 HB THR A 102 -12.014 15.853 6.014 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.530 16.903 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.766 15.289 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.953 13.876 5.030 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.971 14.037 3.580 1.00 0.00 H new ATOM 1547 N THR A 103 -15.028 13.879 3.956 1.00 0.00 N ATOM 1548 CA THR A 103 -15.597 13.075 2.881 1.00 0.00 C ATOM 1549 C THR A 103 -14.548 12.749 1.825 1.00 0.00 C ATOM 1550 O THR A 103 -13.700 13.581 1.500 1.00 0.00 O ATOM 1551 CB THR A 103 -16.781 13.796 2.208 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.485 15.188 2.055 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.051 13.629 3.028 1.00 0.00 C ATOM 0 H THR A 103 -15.445 14.805 4.056 1.00 0.00 H new ATOM 0 HA THR A 103 -15.954 12.149 3.332 1.00 0.00 H new ATOM 0 HB THR A 103 -16.939 13.350 1.226 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.242 15.638 1.625 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.874 14.146 2.534 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.290 12.569 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.901 14.052 4.021 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.612 11.535 1.291 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.666 11.098 0.269 1.00 0.00 C ATOM 1563 C LEU A 104 -14.152 11.489 -1.124 1.00 0.00 C ATOM 1564 O LEU A 104 -14.960 10.785 -1.732 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.467 9.583 0.345 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.264 9.002 1.745 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.295 7.482 1.702 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -11.954 9.495 2.342 1.00 0.00 C ATOM 0 H LEU A 104 -15.308 10.835 1.548 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.713 11.593 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.334 9.100 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.603 9.319 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.081 9.343 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.149 7.087 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.259 7.148 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.500 7.120 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.826 9.072 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.125 9.184 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.972 10.583 2.410 1.00 0.00 H new ATOM 1580 N HIS A 105 -13.652 12.613 -1.625 1.00 0.00 N ATOM 1581 CA HIS A 105 -14.032 13.097 -2.947 1.00 0.00 C ATOM 1582 C HIS A 105 -12.821 13.155 -3.874 1.00 0.00 C ATOM 1583 O HIS A 105 -12.959 13.107 -5.096 1.00 0.00 O ATOM 1584 CB HIS A 105 -14.677 14.479 -2.843 1.00 0.00 C ATOM 1585 CG HIS A 105 -15.690 14.751 -3.912 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -16.637 13.828 -4.303 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -15.901 15.849 -4.672 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -17.386 14.348 -5.259 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -16.960 15.574 -5.502 1.00 0.00 N ATOM 0 H HIS A 105 -12.982 13.206 -1.135 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.756 12.399 -3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -15.155 14.575 -1.868 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -13.897 15.239 -2.891 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -15.341 16.771 -4.634 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -18.207 13.854 -5.757 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -17.353 16.213 -6.193 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.635 13.262 -3.284 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.401 13.330 -4.056 1.00 0.00 C ATOM 1600 C TYR A 106 -9.555 12.079 -3.842 1.00 0.00 C ATOM 1601 O TYR A 106 -8.605 12.067 -3.057 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.601 14.574 -3.666 1.00 0.00 C ATOM 1603 CG TYR A 106 -9.937 15.794 -4.495 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.204 15.961 -5.038 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -8.985 16.778 -4.733 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -11.515 17.074 -5.796 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -9.287 17.894 -5.489 1.00 0.00 C ATOM 1608 CZ TYR A 106 -10.553 18.038 -6.018 1.00 0.00 C ATOM 1609 OH TYR A 106 -10.859 19.148 -6.771 1.00 0.00 O ATOM 0 H TYR A 106 -11.503 13.303 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.664 13.391 -5.112 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.783 14.798 -2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.537 14.358 -3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.959 15.208 -4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.993 16.668 -4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.505 17.189 -6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.536 18.650 -5.665 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.072 19.730 -6.831 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.906 10.999 -4.556 1.00 0.00 N ATOM 1620 CA PRO A 107 -9.190 9.722 -4.464 1.00 0.00 C ATOM 1621 C PRO A 107 -7.795 9.793 -5.073 1.00 0.00 C ATOM 1622 O PRO A 107 -7.570 10.511 -6.047 1.00 0.00 O ATOM 1623 CB PRO A 107 -10.077 8.762 -5.262 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.813 9.633 -6.220 1.00 0.00 C ATOM 1625 CD PRO A 107 -11.027 10.941 -5.509 1.00 0.00 C ATOM 0 HA PRO A 107 -9.030 9.417 -3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.481 8.014 -5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.764 8.223 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.241 9.776 -7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.764 9.183 -6.505 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -11.009 11.782 -6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.990 10.968 -4.999 1.00 0.00 H new ATOM 1633 N ALA A 108 -6.863 9.045 -4.494 1.00 0.00 N ATOM 1634 CA ALA A 108 -5.490 9.021 -4.983 1.00 0.00 C ATOM 1635 C ALA A 108 -5.449 9.064 -6.507 1.00 0.00 C ATOM 1636 O ALA A 108 -6.186 8.356 -7.192 1.00 0.00 O ATOM 1637 CB ALA A 108 -4.767 7.785 -4.468 1.00 0.00 C ATOM 0 H ALA A 108 -7.033 8.447 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.981 9.909 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.743 7.781 -4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.756 7.798 -3.378 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.284 6.890 -4.815 1.00 0.00 H new