USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 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 28 CYS SG : rot 130:sc= -0.0884 USER MOD Set 1.2: A 31 CYS SG : rot -48:sc= -2.77! USER MOD Set 1.3: A 60 HIS : no HE2:sc= -0.272 X(o=-4.2,f=-4.7) USER MOD Set 1.4: A 63 CYS SG : rot -177:sc= -1.11 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -127:sc= 0.0239 (180deg=0) USER MOD Set 2.2: A 57 HIS : no HE2:sc= -4.25! C(o=-4.2!,f=-5.5!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -31:sc= 0.66 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 25:sc= 0.0435 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 23:sc= 0.54 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -68:sc= 0.679 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 150:sc= -1.82! (180deg=-3.82!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.32) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.323 K(o=-0.32,f=-2.3!) USER MOD Single : A 90 GLN : amide:sc=-0.00224 X(o=-0.0022,f=-0.33) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 161:sc= -0.0663 (180deg=-0.253) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 79:sc= 0.822 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 15 2.611 10.292 -2.881 1.00 0.00 N ATOM 165 CA LEU A 15 1.237 10.536 -2.454 1.00 0.00 C ATOM 166 C LEU A 15 0.624 9.279 -1.846 1.00 0.00 C ATOM 167 O LEU A 15 -0.052 9.340 -0.819 1.00 0.00 O ATOM 168 CB LEU A 15 0.391 11.009 -3.637 1.00 0.00 C ATOM 169 CG LEU A 15 0.415 12.512 -3.922 1.00 0.00 C ATOM 170 CD1 LEU A 15 -0.055 12.794 -5.340 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.447 13.259 -2.914 1.00 0.00 C ATOM 0 HA LEU A 15 1.253 11.315 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.728 10.485 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.642 10.709 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 15 1.442 12.865 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.031 13.868 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.602 12.290 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.074 12.427 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.419 14.327 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.475 12.903 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.066 13.083 -1.908 1.00 0.00 H new ATOM 183 N TYR A 16 0.866 8.140 -2.486 1.00 0.00 N ATOM 184 CA TYR A 16 0.338 6.868 -2.009 1.00 0.00 C ATOM 185 C TYR A 16 1.433 6.038 -1.345 1.00 0.00 C ATOM 186 O TYR A 16 2.620 6.244 -1.595 1.00 0.00 O ATOM 187 CB TYR A 16 -0.281 6.083 -3.166 1.00 0.00 C ATOM 188 CG TYR A 16 -1.173 6.918 -4.057 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.429 7.328 -3.627 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.758 7.299 -5.327 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.248 8.090 -4.438 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.569 8.063 -6.144 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.813 8.456 -5.695 1.00 0.00 C ATOM 194 OH TYR A 16 -3.625 9.217 -6.505 1.00 0.00 O ATOM 0 H TYR A 16 1.425 8.072 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.433 7.079 -1.268 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.518 5.651 -3.769 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.860 5.253 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.771 7.046 -2.642 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.215 6.993 -5.682 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.223 8.397 -4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.231 8.351 -7.129 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.170 9.389 -7.356 1.00 0.00 H new ATOM 204 N ARG A 17 1.023 5.100 -0.498 1.00 0.00 N ATOM 205 CA ARG A 17 1.967 4.239 0.204 1.00 0.00 C ATOM 206 C ARG A 17 1.379 2.847 0.418 1.00 0.00 C ATOM 207 O ARG A 17 0.485 2.660 1.242 1.00 0.00 O ATOM 208 CB ARG A 17 2.349 4.855 1.551 1.00 0.00 C ATOM 209 CG ARG A 17 3.566 4.210 2.193 1.00 0.00 C ATOM 210 CD ARG A 17 3.769 4.700 3.618 1.00 0.00 C ATOM 211 NE ARG A 17 5.122 4.435 4.100 1.00 0.00 N ATOM 212 CZ ARG A 17 5.437 4.328 5.386 1.00 0.00 C ATOM 213 NH1 ARG A 17 4.499 4.462 6.315 1.00 0.00 N ATOM 214 NH2 ARG A 17 6.691 4.086 5.746 1.00 0.00 N ATOM 0 H ARG A 17 0.043 4.917 -0.281 1.00 0.00 H new ATOM 0 HA ARG A 17 2.861 4.146 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.543 5.919 1.412 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.502 4.771 2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.447 3.126 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.453 4.434 1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.571 5.771 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.048 4.213 4.275 1.00 0.00 H new ATOM 0 HE ARG A 17 5.866 4.326 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.534 4.648 6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.743 4.379 7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.415 3.982 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.931 4.004 6.734 1.00 0.00 H new ATOM 228 N VAL A 18 1.887 1.874 -0.332 1.00 0.00 N ATOM 229 CA VAL A 18 1.413 0.500 -0.225 1.00 0.00 C ATOM 230 C VAL A 18 2.396 -0.361 0.561 1.00 0.00 C ATOM 231 O VAL A 18 3.571 -0.456 0.209 1.00 0.00 O ATOM 232 CB VAL A 18 1.194 -0.129 -1.614 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.456 -0.016 -2.456 1.00 0.00 C ATOM 234 CG2 VAL A 18 0.761 -1.581 -1.479 1.00 0.00 C ATOM 0 H VAL A 18 2.627 2.012 -1.020 1.00 0.00 H new ATOM 0 HA VAL A 18 0.461 0.535 0.304 1.00 0.00 H new ATOM 0 HB VAL A 18 0.398 0.418 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.283 -0.466 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.717 1.035 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.274 -0.536 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.611 -2.010 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.533 -2.143 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.171 -1.632 -0.917 1.00 0.00 H new ATOM 244 N GLU A 19 1.906 -0.987 1.627 1.00 0.00 N ATOM 245 CA GLU A 19 2.743 -1.840 2.463 1.00 0.00 C ATOM 246 C GLU A 19 1.900 -2.886 3.187 1.00 0.00 C ATOM 247 O GLU A 19 0.671 -2.819 3.185 1.00 0.00 O ATOM 248 CB GLU A 19 3.513 -0.996 3.481 1.00 0.00 C ATOM 249 CG GLU A 19 2.678 -0.575 4.678 1.00 0.00 C ATOM 250 CD GLU A 19 3.305 0.568 5.453 1.00 0.00 C ATOM 251 OE1 GLU A 19 4.546 0.578 5.594 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.555 1.451 5.919 1.00 0.00 O ATOM 0 H GLU A 19 0.935 -0.920 1.932 1.00 0.00 H new ATOM 0 HA GLU A 19 3.454 -2.355 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.376 -1.562 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.897 -0.105 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.686 -0.278 4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.545 -1.429 5.342 1.00 0.00 H new ATOM 259 N TYR A 20 2.571 -3.853 3.803 1.00 0.00 N ATOM 260 CA TYR A 20 1.885 -4.916 4.529 1.00 0.00 C ATOM 261 C TYR A 20 1.292 -4.391 5.833 1.00 0.00 C ATOM 262 O TYR A 20 1.929 -3.622 6.552 1.00 0.00 O ATOM 263 CB TYR A 20 2.849 -6.067 4.821 1.00 0.00 C ATOM 264 CG TYR A 20 2.939 -7.081 3.703 1.00 0.00 C ATOM 265 CD1 TYR A 20 3.263 -6.691 2.409 1.00 0.00 C ATOM 266 CD2 TYR A 20 2.700 -8.429 3.941 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.345 -7.614 1.385 1.00 0.00 C ATOM 268 CE2 TYR A 20 2.781 -9.359 2.923 1.00 0.00 C ATOM 269 CZ TYR A 20 3.103 -8.947 1.646 1.00 0.00 C ATOM 270 OH TYR A 20 3.185 -9.869 0.629 1.00 0.00 O ATOM 0 H TYR A 20 3.589 -3.923 3.814 1.00 0.00 H new ATOM 0 HA TYR A 20 1.071 -5.282 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.842 -5.659 5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.532 -6.572 5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.454 -5.649 2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.447 -8.755 4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.597 -7.294 0.385 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.593 -10.403 3.125 1.00 0.00 H new ATOM 0 HH TYR A 20 2.929 -9.446 -0.217 1.00 0.00 H new ATOM 280 N ALA A 21 0.068 -4.813 6.130 1.00 0.00 N ATOM 281 CA ALA A 21 -0.612 -4.389 7.348 1.00 0.00 C ATOM 282 C ALA A 21 0.218 -4.721 8.584 1.00 0.00 C ATOM 283 O ALA A 21 0.926 -5.727 8.617 1.00 0.00 O ATOM 284 CB ALA A 21 -1.984 -5.040 7.441 1.00 0.00 C ATOM 0 H ALA A 21 -0.474 -5.448 5.544 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.738 -3.307 7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.480 -4.714 8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.584 -4.749 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.872 -6.124 7.455 1.00 0.00 H new ATOM 290 N LYS A 22 0.127 -3.868 9.598 1.00 0.00 N ATOM 291 CA LYS A 22 0.869 -4.069 10.837 1.00 0.00 C ATOM 292 C LYS A 22 -0.004 -4.746 11.890 1.00 0.00 C ATOM 293 O LYS A 22 0.447 -5.646 12.598 1.00 0.00 O ATOM 294 CB LYS A 22 1.384 -2.731 11.371 1.00 0.00 C ATOM 295 CG LYS A 22 2.614 -2.861 12.253 1.00 0.00 C ATOM 296 CD LYS A 22 3.388 -1.555 12.327 1.00 0.00 C ATOM 297 CE LYS A 22 4.670 -1.712 13.130 1.00 0.00 C ATOM 298 NZ LYS A 22 5.105 -0.423 13.737 1.00 0.00 N ATOM 0 H LYS A 22 -0.454 -3.030 9.586 1.00 0.00 H new ATOM 0 HA LYS A 22 1.718 -4.718 10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.618 -2.079 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.590 -2.246 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.313 -3.164 13.256 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.261 -3.647 11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.628 -1.215 11.319 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.764 -0.786 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.518 -2.451 13.917 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.460 -2.094 12.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.982 -0.572 14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.275 0.275 12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.362 -0.071 14.374 1.00 0.00 H new ATOM 312 N SER A 23 -1.255 -4.308 11.985 1.00 0.00 N ATOM 313 CA SER A 23 -2.190 -4.870 12.953 1.00 0.00 C ATOM 314 C SER A 23 -3.604 -4.911 12.382 1.00 0.00 C ATOM 315 O SER A 23 -3.925 -4.190 11.437 1.00 0.00 O ATOM 316 CB SER A 23 -2.173 -4.052 14.245 1.00 0.00 C ATOM 317 OG SER A 23 -1.131 -4.479 15.105 1.00 0.00 O ATOM 0 H SER A 23 -1.645 -3.566 11.404 1.00 0.00 H new ATOM 0 HA SER A 23 -1.876 -5.890 13.174 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.044 -2.996 14.009 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.132 -4.150 14.754 1.00 0.00 H new ATOM 0 HG SER A 23 -0.424 -4.904 14.576 1.00 0.00 H new ATOM 323 N GLY A 24 -4.446 -5.760 12.962 1.00 0.00 N ATOM 324 CA GLY A 24 -5.816 -5.880 12.499 1.00 0.00 C ATOM 325 C GLY A 24 -6.714 -4.792 13.055 1.00 0.00 C ATOM 326 O GLY A 24 -7.806 -5.072 13.549 1.00 0.00 O ATOM 0 H GLY A 24 -4.204 -6.367 13.745 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.833 -5.839 11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.210 -6.855 12.788 1.00 0.00 H new ATOM 330 N ARG A 25 -6.252 -3.548 12.976 1.00 0.00 N ATOM 331 CA ARG A 25 -7.020 -2.415 13.478 1.00 0.00 C ATOM 332 C ARG A 25 -7.456 -1.504 12.335 1.00 0.00 C ATOM 333 O ARG A 25 -8.641 -1.216 12.174 1.00 0.00 O ATOM 334 CB ARG A 25 -6.193 -1.621 14.491 1.00 0.00 C ATOM 335 CG ARG A 25 -5.924 -2.375 15.783 1.00 0.00 C ATOM 336 CD ARG A 25 -5.078 -1.553 16.742 1.00 0.00 C ATOM 337 NE ARG A 25 -5.814 -0.412 17.281 1.00 0.00 N ATOM 338 CZ ARG A 25 -6.591 -0.481 18.356 1.00 0.00 C ATOM 339 NH1 ARG A 25 -6.733 -1.629 19.003 1.00 0.00 N ATOM 340 NH2 ARG A 25 -7.228 0.601 18.785 1.00 0.00 N ATOM 0 H ARG A 25 -5.350 -3.300 12.569 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.912 -2.802 13.971 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.241 -1.347 14.035 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.714 -0.692 14.724 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.870 -2.632 16.259 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.415 -3.313 15.559 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.740 -2.187 17.562 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.186 -1.198 16.226 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.726 0.486 16.806 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.245 -2.463 18.676 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.330 -1.679 19.828 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.121 1.486 18.289 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.825 0.548 19.611 1.00 0.00 H new ATOM 354 N ALA A 26 -6.488 -1.053 11.543 1.00 0.00 N ATOM 355 CA ALA A 26 -6.772 -0.176 10.414 1.00 0.00 C ATOM 356 C ALA A 26 -8.079 -0.565 9.731 1.00 0.00 C ATOM 357 O ALA A 26 -8.256 -1.711 9.316 1.00 0.00 O ATOM 358 CB ALA A 26 -5.623 -0.211 9.417 1.00 0.00 C ATOM 0 H ALA A 26 -5.501 -1.281 11.663 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.879 0.840 10.793 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.848 0.448 8.579 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.707 0.123 9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.489 -1.229 9.052 1.00 0.00 H new ATOM 364 N SER A 27 -8.991 0.395 9.618 1.00 0.00 N ATOM 365 CA SER A 27 -10.284 0.151 8.990 1.00 0.00 C ATOM 366 C SER A 27 -10.275 0.607 7.534 1.00 0.00 C ATOM 367 O SER A 27 -9.490 1.474 7.147 1.00 0.00 O ATOM 368 CB SER A 27 -11.392 0.875 9.756 1.00 0.00 C ATOM 369 OG SER A 27 -11.176 2.276 9.762 1.00 0.00 O ATOM 0 H SER A 27 -8.858 1.349 9.953 1.00 0.00 H new ATOM 0 HA SER A 27 -10.476 -0.922 9.016 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.357 0.655 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.431 0.505 10.781 1.00 0.00 H new ATOM 0 HG SER A 27 -11.899 2.716 10.256 1.00 0.00 H new ATOM 375 N CYS A 28 -11.153 0.017 6.730 1.00 0.00 N ATOM 376 CA CYS A 28 -11.248 0.360 5.317 1.00 0.00 C ATOM 377 C CYS A 28 -12.243 1.496 5.098 1.00 0.00 C ATOM 378 O CYS A 28 -13.328 1.508 5.681 1.00 0.00 O ATOM 379 CB CYS A 28 -11.668 -0.864 4.500 1.00 0.00 C ATOM 380 SG CYS A 28 -11.896 -0.530 2.724 1.00 0.00 S ATOM 0 H CYS A 28 -11.810 -0.702 7.034 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.265 0.692 4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.914 -1.643 4.619 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.599 -1.257 4.907 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.239 -1.410 2.029 1.00 0.00 H new ATOM 385 N LYS A 29 -11.866 2.451 4.255 1.00 0.00 N ATOM 386 CA LYS A 29 -12.724 3.592 3.957 1.00 0.00 C ATOM 387 C LYS A 29 -13.507 3.362 2.668 1.00 0.00 C ATOM 388 O LYS A 29 -13.858 4.310 1.965 1.00 0.00 O ATOM 389 CB LYS A 29 -11.887 4.868 3.837 1.00 0.00 C ATOM 390 CG LYS A 29 -11.127 5.218 5.105 1.00 0.00 C ATOM 391 CD LYS A 29 -11.997 5.993 6.081 1.00 0.00 C ATOM 392 CE LYS A 29 -11.156 6.776 7.076 1.00 0.00 C ATOM 393 NZ LYS A 29 -10.849 8.148 6.585 1.00 0.00 N ATOM 0 H LYS A 29 -10.971 2.458 3.766 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.433 3.706 4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.177 4.751 3.018 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.542 5.699 3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.770 4.304 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.247 5.810 4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.642 6.677 5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.648 5.303 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.685 6.841 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.225 6.241 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.822 8.309 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.178 8.247 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.332 8.847 7.184 1.00 0.00 H new ATOM 407 N LYS A 30 -13.779 2.098 2.364 1.00 0.00 N ATOM 408 CA LYS A 30 -14.523 1.743 1.162 1.00 0.00 C ATOM 409 C LYS A 30 -15.656 0.775 1.489 1.00 0.00 C ATOM 410 O LYS A 30 -16.814 1.019 1.148 1.00 0.00 O ATOM 411 CB LYS A 30 -13.588 1.118 0.124 1.00 0.00 C ATOM 412 CG LYS A 30 -14.295 0.680 -1.147 1.00 0.00 C ATOM 413 CD LYS A 30 -14.518 1.849 -2.092 1.00 0.00 C ATOM 414 CE LYS A 30 -15.743 1.632 -2.966 1.00 0.00 C ATOM 415 NZ LYS A 30 -16.999 2.025 -2.269 1.00 0.00 N ATOM 0 H LYS A 30 -13.495 1.301 2.934 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.955 2.655 0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.811 1.838 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.090 0.256 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.703 -0.086 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.254 0.228 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.639 2.766 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.639 1.982 -2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.641 2.211 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.801 0.583 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.811 1.862 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.110 1.455 -1.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.955 3.033 -2.015 1.00 0.00 H new ATOM 429 N CYS A 31 -15.315 -0.324 2.154 1.00 0.00 N ATOM 430 CA CYS A 31 -16.303 -1.329 2.528 1.00 0.00 C ATOM 431 C CYS A 31 -16.522 -1.341 4.038 1.00 0.00 C ATOM 432 O CYS A 31 -17.075 -2.292 4.589 1.00 0.00 O ATOM 433 CB CYS A 31 -15.857 -2.714 2.056 1.00 0.00 C ATOM 434 SG CYS A 31 -14.350 -3.329 2.874 1.00 0.00 S ATOM 0 H CYS A 31 -14.362 -0.541 2.445 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.245 -1.073 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.667 -3.423 2.229 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.686 -2.682 0.980 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.439 -2.401 2.860 1.00 0.00 H new ATOM 439 N SER A 32 -16.083 -0.276 4.702 1.00 0.00 N ATOM 440 CA SER A 32 -16.227 -0.164 6.149 1.00 0.00 C ATOM 441 C SER A 32 -15.931 -1.498 6.829 1.00 0.00 C ATOM 442 O SER A 32 -16.751 -2.015 7.586 1.00 0.00 O ATOM 443 CB SER A 32 -17.640 0.301 6.508 1.00 0.00 C ATOM 444 OG SER A 32 -18.618 -0.542 5.924 1.00 0.00 O ATOM 0 H SER A 32 -15.625 0.521 4.261 1.00 0.00 H new ATOM 0 HA SER A 32 -15.508 0.574 6.505 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.760 0.306 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.787 1.325 6.166 1.00 0.00 H new ATOM 0 HG SER A 32 -18.223 -1.418 5.733 1.00 0.00 H new ATOM 450 N GLU A 33 -14.752 -2.047 6.552 1.00 0.00 N ATOM 451 CA GLU A 33 -14.347 -3.320 7.136 1.00 0.00 C ATOM 452 C GLU A 33 -13.016 -3.184 7.869 1.00 0.00 C ATOM 453 O GLU A 33 -12.407 -2.114 7.879 1.00 0.00 O ATOM 454 CB GLU A 33 -14.236 -4.392 6.050 1.00 0.00 C ATOM 455 CG GLU A 33 -15.580 -4.858 5.515 1.00 0.00 C ATOM 456 CD GLU A 33 -15.519 -6.249 4.915 1.00 0.00 C ATOM 457 OE1 GLU A 33 -15.092 -7.183 5.627 1.00 0.00 O ATOM 458 OE2 GLU A 33 -15.898 -6.405 3.736 1.00 0.00 O ATOM 0 H GLU A 33 -14.062 -1.630 5.927 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.109 -3.619 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.642 -4.001 5.224 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.697 -5.250 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.312 -4.847 6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.929 -4.155 4.759 1.00 0.00 H new ATOM 465 N SER A 34 -12.571 -4.276 8.483 1.00 0.00 N ATOM 466 CA SER A 34 -11.314 -4.278 9.223 1.00 0.00 C ATOM 467 C SER A 34 -10.193 -4.888 8.387 1.00 0.00 C ATOM 468 O SER A 34 -10.321 -6.001 7.875 1.00 0.00 O ATOM 469 CB SER A 34 -11.470 -5.053 10.532 1.00 0.00 C ATOM 470 OG SER A 34 -10.473 -4.680 11.467 1.00 0.00 O ATOM 0 H SER A 34 -13.062 -5.170 8.483 1.00 0.00 H new ATOM 0 HA SER A 34 -11.053 -3.245 9.450 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.457 -4.865 10.954 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.406 -6.123 10.335 1.00 0.00 H new ATOM 0 HG SER A 34 -10.595 -5.188 12.296 1.00 0.00 H new ATOM 476 N ILE A 35 -9.094 -4.153 8.255 1.00 0.00 N ATOM 477 CA ILE A 35 -7.950 -4.621 7.483 1.00 0.00 C ATOM 478 C ILE A 35 -7.170 -5.685 8.248 1.00 0.00 C ATOM 479 O ILE A 35 -6.767 -5.490 9.395 1.00 0.00 O ATOM 480 CB ILE A 35 -7.000 -3.463 7.124 1.00 0.00 C ATOM 481 CG1 ILE A 35 -7.683 -2.498 6.153 1.00 0.00 C ATOM 482 CG2 ILE A 35 -5.710 -4.002 6.525 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.147 -1.085 6.229 1.00 0.00 C ATOM 0 H ILE A 35 -8.972 -3.231 8.673 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.345 -5.053 6.564 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.754 -2.918 8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.560 -2.871 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.753 -2.484 6.360 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.049 -3.171 6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.218 -4.654 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.937 -4.568 5.621 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.677 -0.456 5.514 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.295 -0.693 7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.083 -1.086 5.993 1.00 0.00 H new ATOM 495 N PRO A 36 -6.948 -6.838 7.599 1.00 0.00 N ATOM 496 CA PRO A 36 -6.212 -7.955 8.198 1.00 0.00 C ATOM 497 C PRO A 36 -4.727 -7.649 8.363 1.00 0.00 C ATOM 498 O PRO A 36 -4.117 -7.005 7.509 1.00 0.00 O ATOM 499 CB PRO A 36 -6.415 -9.092 7.194 1.00 0.00 C ATOM 500 CG PRO A 36 -6.669 -8.410 5.894 1.00 0.00 C ATOM 501 CD PRO A 36 -7.399 -7.139 6.230 1.00 0.00 C ATOM 0 HA PRO A 36 -6.568 -8.186 9.202 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.535 -9.733 7.139 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.254 -9.726 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.734 -8.198 5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.265 -9.039 5.233 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.146 -6.336 5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.480 -7.272 6.183 1.00 0.00 H new ATOM 509 N LYS A 37 -4.151 -8.114 9.465 1.00 0.00 N ATOM 510 CA LYS A 37 -2.737 -7.893 9.742 1.00 0.00 C ATOM 511 C LYS A 37 -1.862 -8.671 8.764 1.00 0.00 C ATOM 512 O LYS A 37 -2.243 -9.743 8.294 1.00 0.00 O ATOM 513 CB LYS A 37 -2.406 -8.305 11.178 1.00 0.00 C ATOM 514 CG LYS A 37 -0.936 -8.155 11.531 1.00 0.00 C ATOM 515 CD LYS A 37 -0.700 -8.333 13.022 1.00 0.00 C ATOM 516 CE LYS A 37 -0.718 -9.802 13.417 1.00 0.00 C ATOM 517 NZ LYS A 37 -0.203 -10.011 14.799 1.00 0.00 N ATOM 0 H LYS A 37 -4.642 -8.647 10.182 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.531 -6.830 9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.999 -7.703 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.702 -9.343 11.327 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.351 -8.891 10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.585 -7.171 11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.259 -7.893 13.295 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.467 -7.796 13.580 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.736 -10.184 13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.114 -10.375 12.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.231 -11.025 15.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.777 -9.669 14.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.795 -9.485 15.473 1.00 0.00 H new ATOM 531 N ASP A 38 -0.689 -8.125 8.464 1.00 0.00 N ATOM 532 CA ASP A 38 0.241 -8.770 7.543 1.00 0.00 C ATOM 533 C ASP A 38 -0.416 -9.012 6.188 1.00 0.00 C ATOM 534 O ASP A 38 -0.273 -10.085 5.601 1.00 0.00 O ATOM 535 CB ASP A 38 0.736 -10.093 8.129 1.00 0.00 C ATOM 536 CG ASP A 38 1.863 -9.901 9.124 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.815 -9.157 8.806 1.00 0.00 O ATOM 538 OD2 ASP A 38 1.794 -10.494 10.220 1.00 0.00 O ATOM 0 H ASP A 38 -0.359 -7.238 8.844 1.00 0.00 H new ATOM 0 HA ASP A 38 1.092 -8.105 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.094 -10.603 8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.076 -10.740 7.321 1.00 0.00 H new ATOM 543 N SER A 39 -1.138 -8.009 5.698 1.00 0.00 N ATOM 544 CA SER A 39 -1.821 -8.116 4.414 1.00 0.00 C ATOM 545 C SER A 39 -1.473 -6.934 3.514 1.00 0.00 C ATOM 546 O SER A 39 -1.281 -5.813 3.988 1.00 0.00 O ATOM 547 CB SER A 39 -3.335 -8.184 4.623 1.00 0.00 C ATOM 548 OG SER A 39 -3.845 -6.940 5.070 1.00 0.00 O ATOM 0 H SER A 39 -1.265 -7.114 6.170 1.00 0.00 H new ATOM 0 HA SER A 39 -1.487 -9.032 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.822 -8.466 3.689 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.570 -8.960 5.352 1.00 0.00 H new ATOM 0 HG SER A 39 -3.526 -6.763 5.980 1.00 0.00 H new ATOM 554 N LEU A 40 -1.394 -7.193 2.213 1.00 0.00 N ATOM 555 CA LEU A 40 -1.069 -6.151 1.245 1.00 0.00 C ATOM 556 C LEU A 40 -2.191 -5.122 1.155 1.00 0.00 C ATOM 557 O LEU A 40 -3.298 -5.433 0.716 1.00 0.00 O ATOM 558 CB LEU A 40 -0.817 -6.769 -0.132 1.00 0.00 C ATOM 559 CG LEU A 40 -0.342 -5.807 -1.222 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.944 -5.114 -0.799 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.144 -6.547 -2.537 1.00 0.00 C ATOM 0 H LEU A 40 -1.550 -8.115 1.805 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.164 -5.645 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.074 -7.559 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.739 -7.243 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.109 -5.046 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.267 -4.434 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.769 -4.551 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.719 -5.860 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.194 -5.847 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.604 -7.329 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.088 -6.996 -2.848 1.00 0.00 H new ATOM 573 N ARG A 41 -1.896 -3.895 1.572 1.00 0.00 N ATOM 574 CA ARG A 41 -2.880 -2.819 1.538 1.00 0.00 C ATOM 575 C ARG A 41 -2.282 -1.556 0.926 1.00 0.00 C ATOM 576 O ARG A 41 -1.064 -1.430 0.802 1.00 0.00 O ATOM 577 CB ARG A 41 -3.392 -2.523 2.949 1.00 0.00 C ATOM 578 CG ARG A 41 -2.424 -1.705 3.788 1.00 0.00 C ATOM 579 CD ARG A 41 -2.692 -1.879 5.275 1.00 0.00 C ATOM 580 NE ARG A 41 -1.802 -1.058 6.091 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.092 -0.664 7.327 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.242 -1.016 7.885 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.231 0.082 8.006 1.00 0.00 N ATOM 0 H ARG A 41 -0.984 -3.621 1.937 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.715 -3.143 0.917 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.339 -1.989 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.595 -3.465 3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.401 -2.007 3.564 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.511 -0.651 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.727 -1.615 5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.568 -2.928 5.546 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.909 -0.771 5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.906 -1.590 7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.463 -0.713 8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.345 0.354 7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.455 0.384 8.954 1.00 0.00 H new ATOM 597 N MET A 42 -3.149 -0.623 0.544 1.00 0.00 N ATOM 598 CA MET A 42 -2.706 0.631 -0.055 1.00 0.00 C ATOM 599 C MET A 42 -3.107 1.819 0.814 1.00 0.00 C ATOM 600 O MET A 42 -3.977 1.704 1.676 1.00 0.00 O ATOM 601 CB MET A 42 -3.297 0.787 -1.457 1.00 0.00 C ATOM 602 CG MET A 42 -2.742 -0.207 -2.464 1.00 0.00 C ATOM 603 SD MET A 42 -3.426 0.023 -4.117 1.00 0.00 S ATOM 604 CE MET A 42 -2.079 0.884 -4.924 1.00 0.00 C ATOM 0 H MET A 42 -4.161 -0.712 0.638 1.00 0.00 H new ATOM 0 HA MET A 42 -1.619 0.607 -0.128 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.379 0.670 -1.401 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.104 1.799 -1.813 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.657 -0.108 -2.507 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.956 -1.220 -2.124 1.00 0.00 H new ATOM 0 HE1 MET A 42 -2.351 1.097 -5.958 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.880 1.819 -4.401 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.185 0.260 -4.905 1.00 0.00 H new ATOM 614 N ALA A 43 -2.467 2.960 0.580 1.00 0.00 N ATOM 615 CA ALA A 43 -2.758 4.169 1.340 1.00 0.00 C ATOM 616 C ALA A 43 -2.875 5.380 0.421 1.00 0.00 C ATOM 617 O ALA A 43 -2.322 5.392 -0.679 1.00 0.00 O ATOM 618 CB ALA A 43 -1.683 4.404 2.391 1.00 0.00 C ATOM 0 H ALA A 43 -1.743 3.072 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.716 4.031 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.913 5.310 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.649 3.555 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.715 4.516 1.903 1.00 0.00 H new ATOM 624 N ILE A 44 -3.599 6.397 0.878 1.00 0.00 N ATOM 625 CA ILE A 44 -3.787 7.612 0.096 1.00 0.00 C ATOM 626 C ILE A 44 -3.658 8.854 0.971 1.00 0.00 C ATOM 627 O ILE A 44 -4.492 9.102 1.841 1.00 0.00 O ATOM 628 CB ILE A 44 -5.163 7.628 -0.598 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.261 6.484 -1.609 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.397 8.967 -1.280 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.683 6.086 -1.935 1.00 0.00 C ATOM 0 H ILE A 44 -4.065 6.403 1.786 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.005 7.622 -0.664 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.936 7.488 0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.755 6.778 -2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.730 5.617 -1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.373 8.962 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.365 9.764 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.621 9.135 -2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.676 5.270 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.187 5.761 -1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.212 6.940 -2.358 1.00 0.00 H new ATOM 643 N MET A 45 -2.608 9.633 0.733 1.00 0.00 N ATOM 644 CA MET A 45 -2.371 10.852 1.497 1.00 0.00 C ATOM 645 C MET A 45 -3.416 11.912 1.168 1.00 0.00 C ATOM 646 O MET A 45 -3.379 12.524 0.100 1.00 0.00 O ATOM 647 CB MET A 45 -0.969 11.394 1.211 1.00 0.00 C ATOM 648 CG MET A 45 0.138 10.605 1.890 1.00 0.00 C ATOM 649 SD MET A 45 0.498 11.202 3.553 1.00 0.00 S ATOM 650 CE MET A 45 -0.929 10.592 4.448 1.00 0.00 C ATOM 0 H MET A 45 -1.907 9.442 0.017 1.00 0.00 H new ATOM 0 HA MET A 45 -2.449 10.608 2.556 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.799 11.389 0.134 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.916 12.433 1.537 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.148 9.554 1.939 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.043 10.661 1.284 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.651 10.390 5.482 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.720 11.341 4.425 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.285 9.673 3.982 1.00 0.00 H new ATOM 660 N VAL A 46 -4.349 12.124 2.091 1.00 0.00 N ATOM 661 CA VAL A 46 -5.405 13.111 1.898 1.00 0.00 C ATOM 662 C VAL A 46 -5.516 14.039 3.103 1.00 0.00 C ATOM 663 O VAL A 46 -4.820 13.861 4.102 1.00 0.00 O ATOM 664 CB VAL A 46 -6.768 12.436 1.656 1.00 0.00 C ATOM 665 CG1 VAL A 46 -6.744 11.633 0.364 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.140 11.551 2.836 1.00 0.00 C ATOM 0 H VAL A 46 -4.395 11.626 2.980 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.136 13.694 1.017 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.527 13.212 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.715 11.163 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.525 12.296 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.975 10.863 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.106 11.082 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.381 10.780 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.200 12.157 3.740 1.00 0.00 H new ATOM 676 N GLN A 47 -6.398 15.028 3.002 1.00 0.00 N ATOM 677 CA GLN A 47 -6.601 15.984 4.084 1.00 0.00 C ATOM 678 C GLN A 47 -7.997 15.843 4.681 1.00 0.00 C ATOM 679 O GLN A 47 -8.985 15.739 3.954 1.00 0.00 O ATOM 680 CB GLN A 47 -6.391 17.412 3.577 1.00 0.00 C ATOM 681 CG GLN A 47 -5.867 18.364 4.640 1.00 0.00 C ATOM 682 CD GLN A 47 -6.325 19.793 4.421 1.00 0.00 C ATOM 683 OE1 GLN A 47 -6.200 20.335 3.322 1.00 0.00 O ATOM 684 NE2 GLN A 47 -6.859 20.411 5.468 1.00 0.00 N ATOM 0 H GLN A 47 -6.983 15.188 2.182 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.870 15.772 4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.691 17.393 2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.336 17.795 3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.200 18.026 5.621 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.777 18.332 4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.943 19.923 6.360 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.185 21.373 5.380 1.00 0.00 H new ATOM 693 N SER A 48 -8.070 15.840 6.008 1.00 0.00 N ATOM 694 CA SER A 48 -9.346 15.707 6.702 1.00 0.00 C ATOM 695 C SER A 48 -10.038 17.061 6.831 1.00 0.00 C ATOM 696 O SER A 48 -9.423 18.071 7.175 1.00 0.00 O ATOM 697 CB SER A 48 -9.134 15.096 8.089 1.00 0.00 C ATOM 698 OG SER A 48 -10.323 14.490 8.566 1.00 0.00 O ATOM 0 H SER A 48 -7.262 15.928 6.624 1.00 0.00 H new ATOM 0 HA SER A 48 -9.984 15.047 6.115 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.336 14.354 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.812 15.870 8.786 1.00 0.00 H new ATOM 0 HG SER A 48 -10.161 14.106 9.453 1.00 0.00 H new ATOM 774 N LYS A 54 -3.217 16.263 7.484 1.00 0.00 N ATOM 775 CA LYS A 54 -3.411 15.145 6.568 1.00 0.00 C ATOM 776 C LYS A 54 -3.504 13.827 7.331 1.00 0.00 C ATOM 777 O LYS A 54 -2.869 13.654 8.371 1.00 0.00 O ATOM 778 CB LYS A 54 -2.264 15.081 5.557 1.00 0.00 C ATOM 779 CG LYS A 54 -2.498 15.928 4.318 1.00 0.00 C ATOM 780 CD LYS A 54 -1.517 15.579 3.211 1.00 0.00 C ATOM 781 CE LYS A 54 -1.669 16.510 2.018 1.00 0.00 C ATOM 782 NZ LYS A 54 -0.544 16.364 1.054 1.00 0.00 N ATOM 0 HA LYS A 54 -4.348 15.304 6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.344 15.408 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.114 14.044 5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.518 15.780 3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.400 16.983 4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.498 15.640 3.594 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.677 14.549 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.611 16.300 1.511 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.717 17.542 2.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.684 17.015 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.353 16.589 1.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.513 15.386 0.702 1.00 0.00 H new ATOM 796 N VAL A 55 -4.299 12.899 6.806 1.00 0.00 N ATOM 797 CA VAL A 55 -4.473 11.596 7.436 1.00 0.00 C ATOM 798 C VAL A 55 -4.369 10.472 6.411 1.00 0.00 C ATOM 799 O VAL A 55 -4.944 10.533 5.325 1.00 0.00 O ATOM 800 CB VAL A 55 -5.832 11.497 8.154 1.00 0.00 C ATOM 801 CG1 VAL A 55 -5.900 12.485 9.308 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.971 11.731 7.173 1.00 0.00 C ATOM 0 H VAL A 55 -4.832 13.026 5.946 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.674 11.490 8.170 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.935 10.492 8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.867 12.400 9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.106 12.265 10.022 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.775 13.499 8.927 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.924 11.657 7.697 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.874 12.724 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.932 10.980 6.384 1.00 0.00 H new ATOM 812 N PRO A 56 -3.617 9.419 6.763 1.00 0.00 N ATOM 813 CA PRO A 56 -3.420 8.259 5.888 1.00 0.00 C ATOM 814 C PRO A 56 -4.688 7.427 5.734 1.00 0.00 C ATOM 815 O PRO A 56 -5.230 6.916 6.715 1.00 0.00 O ATOM 816 CB PRO A 56 -2.335 7.453 6.607 1.00 0.00 C ATOM 817 CG PRO A 56 -2.462 7.840 8.040 1.00 0.00 C ATOM 818 CD PRO A 56 -2.902 9.278 8.043 1.00 0.00 C ATOM 0 HA PRO A 56 -3.150 8.554 4.874 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.483 6.382 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.344 7.689 6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.188 7.209 8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.512 7.721 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.550 9.498 8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.052 9.958 8.106 1.00 0.00 H new ATOM 826 N HIS A 57 -5.157 7.294 4.497 1.00 0.00 N ATOM 827 CA HIS A 57 -6.362 6.522 4.216 1.00 0.00 C ATOM 828 C HIS A 57 -6.009 5.163 3.618 1.00 0.00 C ATOM 829 O HIS A 57 -5.514 5.078 2.494 1.00 0.00 O ATOM 830 CB HIS A 57 -7.274 7.291 3.259 1.00 0.00 C ATOM 831 CG HIS A 57 -8.014 8.417 3.914 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.150 8.983 3.376 1.00 0.00 N ATOM 833 CD2 HIS A 57 -7.775 9.080 5.069 1.00 0.00 C ATOM 834 CE1 HIS A 57 -9.577 9.948 4.171 1.00 0.00 C ATOM 835 NE2 HIS A 57 -8.761 10.027 5.206 1.00 0.00 N ATOM 0 H HIS A 57 -4.721 7.711 3.674 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.888 6.360 5.157 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.675 7.688 2.440 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.994 6.599 2.821 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -9.592 8.701 2.501 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.961 8.899 5.755 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.446 10.567 4.003 1.00 0.00 H new ATOM 843 N TRP A 58 -6.266 4.104 4.377 1.00 0.00 N ATOM 844 CA TRP A 58 -5.975 2.749 3.922 1.00 0.00 C ATOM 845 C TRP A 58 -7.135 2.187 3.108 1.00 0.00 C ATOM 846 O TRP A 58 -8.299 2.478 3.385 1.00 0.00 O ATOM 847 CB TRP A 58 -5.686 1.839 5.117 1.00 0.00 C ATOM 848 CG TRP A 58 -4.603 2.360 6.012 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.760 2.935 7.241 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.196 2.355 5.747 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.536 3.288 7.755 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.560 2.942 6.859 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.411 1.911 4.679 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.178 3.096 6.930 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.039 2.064 4.752 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.434 2.652 5.871 1.00 0.00 C ATOM 0 H TRP A 58 -6.675 4.157 5.310 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.093 2.789 3.283 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.599 1.714 5.699 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.403 0.852 4.752 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.707 3.089 7.736 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.379 3.736 8.658 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.868 1.457 3.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.710 3.550 7.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.423 1.725 3.933 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.641 2.757 5.898 1.00 0.00 H new ATOM 867 N TYR A 59 -6.811 1.380 2.104 1.00 0.00 N ATOM 868 CA TYR A 59 -7.827 0.779 1.248 1.00 0.00 C ATOM 869 C TYR A 59 -7.413 -0.624 0.813 1.00 0.00 C ATOM 870 O TYR A 59 -6.292 -0.837 0.349 1.00 0.00 O ATOM 871 CB TYR A 59 -8.072 1.655 0.018 1.00 0.00 C ATOM 872 CG TYR A 59 -8.869 2.905 0.314 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.255 2.867 0.394 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.235 4.125 0.515 1.00 0.00 C ATOM 875 CE1 TYR A 59 -10.987 4.007 0.664 1.00 0.00 C ATOM 876 CE2 TYR A 59 -8.958 5.270 0.786 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.334 5.206 0.859 1.00 0.00 C ATOM 878 OH TYR A 59 -11.060 6.344 1.129 1.00 0.00 O ATOM 0 H TYR A 59 -5.853 1.127 1.863 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.751 0.704 1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.112 1.940 -0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.598 1.069 -0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.770 1.930 0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.158 4.179 0.458 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.064 3.960 0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.449 6.210 0.940 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.450 7.102 1.241 1.00 0.00 H new ATOM 888 N HIS A 60 -8.326 -1.578 0.966 1.00 0.00 N ATOM 889 CA HIS A 60 -8.057 -2.961 0.588 1.00 0.00 C ATOM 890 C HIS A 60 -7.478 -3.036 -0.821 1.00 0.00 C ATOM 891 O HIS A 60 -7.952 -2.360 -1.735 1.00 0.00 O ATOM 892 CB HIS A 60 -9.337 -3.792 0.672 1.00 0.00 C ATOM 893 CG HIS A 60 -9.704 -4.188 2.069 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.920 -3.883 2.643 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.007 -4.871 3.007 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.955 -4.359 3.875 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.806 -4.963 4.120 1.00 0.00 N ATOM 0 H HIS A 60 -9.258 -1.419 1.349 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.323 -3.367 1.285 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.159 -3.223 0.237 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.217 -4.691 0.068 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.675 -3.370 2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.009 -5.269 2.900 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.782 -4.270 4.564 1.00 0.00 H new ATOM 905 N PHE A 61 -6.452 -3.863 -0.991 1.00 0.00 N ATOM 906 CA PHE A 61 -5.807 -4.025 -2.289 1.00 0.00 C ATOM 907 C PHE A 61 -6.830 -3.941 -3.418 1.00 0.00 C ATOM 908 O PHE A 61 -6.516 -3.497 -4.523 1.00 0.00 O ATOM 909 CB PHE A 61 -5.070 -5.364 -2.352 1.00 0.00 C ATOM 910 CG PHE A 61 -4.329 -5.581 -3.641 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.416 -4.644 -4.096 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.547 -6.721 -4.397 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.732 -4.840 -5.281 1.00 0.00 C ATOM 914 CE2 PHE A 61 -3.866 -6.923 -5.583 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.958 -5.981 -6.026 1.00 0.00 C ATOM 0 H PHE A 61 -6.049 -4.432 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.087 -3.216 -2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.365 -5.421 -1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.789 -6.172 -2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.236 -3.750 -3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.257 -7.460 -4.056 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.022 -4.102 -5.624 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.044 -7.817 -6.163 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.426 -6.136 -6.953 1.00 0.00 H new ATOM 925 N SER A 62 -8.055 -4.370 -3.132 1.00 0.00 N ATOM 926 CA SER A 62 -9.123 -4.348 -4.124 1.00 0.00 C ATOM 927 C SER A 62 -9.931 -3.057 -4.024 1.00 0.00 C ATOM 928 O SER A 62 -10.079 -2.326 -5.004 1.00 0.00 O ATOM 929 CB SER A 62 -10.045 -5.555 -3.940 1.00 0.00 C ATOM 930 OG SER A 62 -10.471 -5.669 -2.593 1.00 0.00 O ATOM 0 H SER A 62 -8.332 -4.737 -2.222 1.00 0.00 H new ATOM 0 HA SER A 62 -8.667 -4.396 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.913 -5.457 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.523 -6.464 -4.238 1.00 0.00 H new ATOM 0 HG SER A 62 -11.060 -6.447 -2.501 1.00 0.00 H new ATOM 936 N CYS A 63 -10.451 -2.783 -2.832 1.00 0.00 N ATOM 937 CA CYS A 63 -11.245 -1.582 -2.601 1.00 0.00 C ATOM 938 C CYS A 63 -10.564 -0.357 -3.205 1.00 0.00 C ATOM 939 O CYS A 63 -11.220 0.507 -3.786 1.00 0.00 O ATOM 940 CB CYS A 63 -11.464 -1.371 -1.102 1.00 0.00 C ATOM 941 SG CYS A 63 -12.610 -2.567 -0.342 1.00 0.00 S ATOM 0 H CYS A 63 -10.337 -3.377 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.212 -1.715 -3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.502 -1.432 -0.593 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.847 -0.364 -0.940 1.00 0.00 H new ATOM 0 HG CYS A 63 -12.775 -2.272 0.913 1.00 0.00 H new ATOM 946 N PHE A 64 -9.245 -0.289 -3.062 1.00 0.00 N ATOM 947 CA PHE A 64 -8.475 0.830 -3.591 1.00 0.00 C ATOM 948 C PHE A 64 -8.762 1.034 -5.076 1.00 0.00 C ATOM 949 O PHE A 64 -8.767 2.162 -5.569 1.00 0.00 O ATOM 950 CB PHE A 64 -6.979 0.594 -3.377 1.00 0.00 C ATOM 951 CG PHE A 64 -6.120 1.737 -3.837 1.00 0.00 C ATOM 952 CD1 PHE A 64 -6.037 2.062 -5.182 1.00 0.00 C ATOM 953 CD2 PHE A 64 -5.395 2.488 -2.925 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.247 3.113 -5.608 1.00 0.00 C ATOM 955 CE2 PHE A 64 -4.604 3.540 -3.345 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.530 3.854 -4.688 1.00 0.00 C ATOM 0 H PHE A 64 -8.687 -0.996 -2.584 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.774 1.730 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.795 0.415 -2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.682 -0.310 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.596 1.487 -5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.449 2.248 -1.873 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.190 3.355 -6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.044 4.116 -2.624 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.913 4.677 -5.018 1.00 0.00 H new ATOM 966 N TRP A 65 -9.000 -0.066 -5.782 1.00 0.00 N ATOM 967 CA TRP A 65 -9.288 -0.009 -7.211 1.00 0.00 C ATOM 968 C TRP A 65 -10.781 0.172 -7.459 1.00 0.00 C ATOM 969 O TRP A 65 -11.269 -0.053 -8.567 1.00 0.00 O ATOM 970 CB TRP A 65 -8.794 -1.281 -7.902 1.00 0.00 C ATOM 971 CG TRP A 65 -7.333 -1.542 -7.692 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.777 -2.593 -7.019 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.243 -0.738 -8.155 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.407 -2.490 -7.037 1.00 0.00 N ATOM 975 CE2 TRP A 65 -5.054 -1.361 -7.728 1.00 0.00 C ATOM 976 CE3 TRP A 65 -6.155 0.447 -8.891 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.796 -0.838 -8.012 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.906 0.965 -9.172 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.740 0.323 -8.734 1.00 0.00 C ATOM 0 H TRP A 65 -8.999 -1.007 -5.389 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.763 0.850 -7.628 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.365 -2.132 -7.531 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.992 -1.206 -8.971 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.332 -3.388 -6.543 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.758 -3.148 -6.606 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -7.048 0.949 -9.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.896 -1.331 -7.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.827 1.881 -9.739 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.778 0.753 -8.971 1.00 0.00 H new ATOM 990 N LYS A 66 -11.503 0.581 -6.422 1.00 0.00 N ATOM 991 CA LYS A 66 -12.942 0.794 -6.527 1.00 0.00 C ATOM 992 C LYS A 66 -13.269 2.284 -6.574 1.00 0.00 C ATOM 993 O LYS A 66 -14.044 2.732 -7.419 1.00 0.00 O ATOM 994 CB LYS A 66 -13.663 0.141 -5.346 1.00 0.00 C ATOM 995 CG LYS A 66 -13.411 -1.353 -5.231 1.00 0.00 C ATOM 996 CD LYS A 66 -14.088 -2.121 -6.354 1.00 0.00 C ATOM 997 CE LYS A 66 -13.364 -3.424 -6.654 1.00 0.00 C ATOM 998 NZ LYS A 66 -12.308 -3.246 -7.690 1.00 0.00 N ATOM 0 H LYS A 66 -11.115 0.772 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.285 0.334 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.345 0.627 -4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.735 0.314 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.338 -1.545 -5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.779 -1.712 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.121 -2.333 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.116 -1.504 -7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.914 -3.808 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.083 -4.170 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.838 -4.157 -7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.741 -2.903 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.607 -2.554 -7.356 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.672 3.046 -5.663 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.898 4.485 -5.603 1.00 0.00 C ATOM 1014 C VAL A 67 -12.639 5.138 -6.956 1.00 0.00 C ATOM 1015 O VAL A 67 -13.213 6.179 -7.275 1.00 0.00 O ATOM 1016 CB VAL A 67 -12.001 5.150 -4.543 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.532 4.875 -3.145 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.565 4.667 -4.682 1.00 0.00 C ATOM 0 H VAL A 67 -12.028 2.691 -4.956 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.942 4.631 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.015 6.228 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.885 5.353 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.542 5.275 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.550 3.800 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.945 5.147 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.530 3.586 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.190 4.922 -5.673 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.770 4.520 -7.749 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.449 5.056 -9.059 1.00 0.00 C ATOM 1030 C GLY A 68 -10.163 5.859 -9.059 1.00 0.00 C ATOM 1031 O GLY A 68 -10.081 6.914 -9.688 1.00 0.00 O ATOM 0 H GLY A 68 -11.282 3.657 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.361 4.236 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.269 5.689 -9.400 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.156 5.359 -8.349 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.868 6.038 -8.268 1.00 0.00 C ATOM 1037 C HIS A 69 -6.887 5.466 -9.288 1.00 0.00 C ATOM 1038 O HIS A 69 -6.091 4.583 -8.970 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.288 5.911 -6.859 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.777 6.965 -5.913 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -6.948 7.633 -5.037 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -9.018 7.466 -5.711 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -7.658 8.498 -4.336 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -8.918 8.417 -4.725 1.00 0.00 N ATOM 0 H HIS A 69 -9.207 4.487 -7.822 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.026 7.093 -8.494 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.540 4.929 -6.458 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.201 5.962 -6.916 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.919 7.173 -6.229 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.274 9.160 -3.574 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -9.690 8.970 -4.354 1.00 0.00 H new ATOM 1052 N SER A 70 -6.952 5.975 -10.514 1.00 0.00 N ATOM 1053 CA SER A 70 -6.073 5.512 -11.581 1.00 0.00 C ATOM 1054 C SER A 70 -4.608 5.667 -11.185 1.00 0.00 C ATOM 1055 O SER A 70 -4.248 6.582 -10.444 1.00 0.00 O ATOM 1056 CB SER A 70 -6.349 6.287 -12.871 1.00 0.00 C ATOM 1057 OG SER A 70 -5.932 5.551 -14.008 1.00 0.00 O ATOM 0 H SER A 70 -7.604 6.708 -10.793 1.00 0.00 H new ATOM 0 HA SER A 70 -6.275 4.454 -11.750 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.414 6.506 -12.946 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.828 7.244 -12.842 1.00 0.00 H new ATOM 0 HG SER A 70 -6.121 6.067 -14.819 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.768 4.766 -11.683 1.00 0.00 N ATOM 1064 CA ILE A 71 -2.342 4.803 -11.382 1.00 0.00 C ATOM 1065 C ILE A 71 -1.521 4.246 -12.540 1.00 0.00 C ATOM 1066 O ILE A 71 -1.662 3.080 -12.910 1.00 0.00 O ATOM 1067 CB ILE A 71 -2.015 4.006 -10.106 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -2.697 4.642 -8.892 1.00 0.00 C ATOM 1069 CG2 ILE A 71 -0.510 3.934 -9.897 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -2.703 3.754 -7.668 1.00 0.00 C ATOM 0 H ILE A 71 -4.050 4.002 -12.297 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.080 5.849 -11.224 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.395 2.991 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.192 5.577 -8.650 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.725 4.894 -9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.295 3.367 -8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.047 3.441 -10.752 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.108 4.942 -9.798 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.202 4.269 -6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.234 2.829 -7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.677 3.523 -7.381 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.662 5.086 -13.107 1.00 0.00 N ATOM 1083 CA ARG A 72 0.183 4.678 -14.223 1.00 0.00 C ATOM 1084 C ARG A 72 1.286 3.734 -13.753 1.00 0.00 C ATOM 1085 O ARG A 72 1.318 2.562 -14.131 1.00 0.00 O ATOM 1086 CB ARG A 72 0.800 5.903 -14.899 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.142 6.606 -15.864 1.00 0.00 C ATOM 1088 CD ARG A 72 -1.056 7.581 -15.139 1.00 0.00 C ATOM 1089 NE ARG A 72 -1.492 8.672 -16.007 1.00 0.00 N ATOM 1090 CZ ARG A 72 -2.514 8.576 -16.850 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -3.203 7.446 -16.937 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -2.850 9.612 -17.607 1.00 0.00 N ATOM 0 H ARG A 72 -0.533 6.054 -12.812 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.441 4.150 -14.944 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.115 6.610 -14.132 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.697 5.597 -15.438 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.438 7.140 -16.616 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.743 5.866 -16.392 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.928 7.048 -14.761 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.535 7.992 -14.274 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.984 9.555 -15.963 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.949 6.648 -16.356 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.987 7.376 -17.585 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.323 10.483 -17.542 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.635 9.538 -18.254 1.00 0.00 H new ATOM 1106 N HIS A 73 2.189 4.252 -12.927 1.00 0.00 N ATOM 1107 CA HIS A 73 3.294 3.456 -12.405 1.00 0.00 C ATOM 1108 C HIS A 73 3.411 3.616 -10.892 1.00 0.00 C ATOM 1109 O HIS A 73 3.982 4.584 -10.388 1.00 0.00 O ATOM 1110 CB HIS A 73 4.605 3.864 -13.076 1.00 0.00 C ATOM 1111 CG HIS A 73 4.594 3.697 -14.564 1.00 0.00 C ATOM 1112 ND1 HIS A 73 4.623 2.466 -15.184 1.00 0.00 N ATOM 1113 CD2 HIS A 73 4.553 4.616 -15.558 1.00 0.00 C ATOM 1114 CE1 HIS A 73 4.603 2.634 -16.494 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.561 3.930 -16.747 1.00 0.00 N ATOM 0 H HIS A 73 2.177 5.220 -12.605 1.00 0.00 H new ATOM 0 HA HIS A 73 3.092 2.408 -12.627 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.817 4.906 -12.837 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.418 3.270 -12.658 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.520 5.689 -15.438 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.618 1.846 -17.232 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.538 4.352 -17.675 1.00 0.00 H new ATOM 1123 N PRO A 74 2.858 2.646 -10.149 1.00 0.00 N ATOM 1124 CA PRO A 74 2.888 2.657 -8.683 1.00 0.00 C ATOM 1125 C PRO A 74 4.289 2.418 -8.130 1.00 0.00 C ATOM 1126 O PRO A 74 4.578 2.751 -6.981 1.00 0.00 O ATOM 1127 CB PRO A 74 1.958 1.504 -8.300 1.00 0.00 C ATOM 1128 CG PRO A 74 1.991 0.585 -9.473 1.00 0.00 C ATOM 1129 CD PRO A 74 2.162 1.463 -10.682 1.00 0.00 C ATOM 0 HA PRO A 74 2.583 3.621 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.301 1.003 -7.395 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.946 1.860 -8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.812 -0.127 -9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.071 0.004 -9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.746 0.969 -11.458 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.202 1.727 -11.126 1.00 0.00 H new ATOM 1137 N ASP A 75 5.155 1.839 -8.955 1.00 0.00 N ATOM 1138 CA ASP A 75 6.526 1.556 -8.548 1.00 0.00 C ATOM 1139 C ASP A 75 7.226 2.827 -8.077 1.00 0.00 C ATOM 1140 O ASP A 75 7.968 2.811 -7.095 1.00 0.00 O ATOM 1141 CB ASP A 75 7.305 0.929 -9.706 1.00 0.00 C ATOM 1142 CG ASP A 75 8.806 1.031 -9.517 1.00 0.00 C ATOM 1143 OD1 ASP A 75 9.389 0.116 -8.899 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.397 2.027 -9.986 1.00 0.00 O ATOM 0 H ASP A 75 4.932 1.557 -9.909 1.00 0.00 H new ATOM 0 HA ASP A 75 6.494 0.851 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.024 -0.120 -9.803 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.025 1.421 -10.637 1.00 0.00 H new ATOM 1149 N VAL A 76 6.987 3.926 -8.785 1.00 0.00 N ATOM 1150 CA VAL A 76 7.594 5.205 -8.440 1.00 0.00 C ATOM 1151 C VAL A 76 6.564 6.161 -7.848 1.00 0.00 C ATOM 1152 O VAL A 76 6.887 6.985 -6.993 1.00 0.00 O ATOM 1153 CB VAL A 76 8.246 5.867 -9.668 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.400 5.020 -10.182 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.212 6.094 -10.762 1.00 0.00 C ATOM 0 H VAL A 76 6.377 3.956 -9.602 1.00 0.00 H new ATOM 0 HA VAL A 76 8.364 4.999 -7.696 1.00 0.00 H new ATOM 0 HB VAL A 76 8.644 6.836 -9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.848 5.504 -11.050 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.150 4.913 -9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.030 4.035 -10.467 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.690 6.563 -11.622 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.783 5.138 -11.061 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.422 6.745 -10.387 1.00 0.00 H new ATOM 1165 N GLU A 77 5.322 6.043 -8.309 1.00 0.00 N ATOM 1166 CA GLU A 77 4.244 6.897 -7.825 1.00 0.00 C ATOM 1167 C GLU A 77 3.826 6.498 -6.413 1.00 0.00 C ATOM 1168 O GLU A 77 3.718 7.341 -5.523 1.00 0.00 O ATOM 1169 CB GLU A 77 3.041 6.820 -8.766 1.00 0.00 C ATOM 1170 CG GLU A 77 3.286 7.461 -10.122 1.00 0.00 C ATOM 1171 CD GLU A 77 2.000 7.782 -10.857 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.284 6.835 -11.244 1.00 0.00 O ATOM 1173 OE2 GLU A 77 1.709 8.982 -11.045 1.00 0.00 O ATOM 0 H GLU A 77 5.038 5.365 -9.016 1.00 0.00 H new ATOM 0 HA GLU A 77 4.611 7.923 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.771 5.774 -8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.188 7.307 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.862 8.377 -9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.891 6.791 -10.732 1.00 0.00 H new ATOM 1180 N VAL A 78 3.590 5.204 -6.215 1.00 0.00 N ATOM 1181 CA VAL A 78 3.184 4.691 -4.913 1.00 0.00 C ATOM 1182 C VAL A 78 4.387 4.195 -4.118 1.00 0.00 C ATOM 1183 O VAL A 78 5.191 3.408 -4.617 1.00 0.00 O ATOM 1184 CB VAL A 78 2.167 3.543 -5.054 1.00 0.00 C ATOM 1185 CG1 VAL A 78 1.741 3.036 -3.685 1.00 0.00 C ATOM 1186 CG2 VAL A 78 0.961 3.997 -5.862 1.00 0.00 C ATOM 0 H VAL A 78 3.673 4.492 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 78 2.715 5.518 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 78 2.645 2.721 -5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.022 2.225 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.614 2.670 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.281 3.849 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.252 3.174 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.481 4.836 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.285 4.307 -6.856 1.00 0.00 H new ATOM 1196 N ASP A 79 4.502 4.659 -2.879 1.00 0.00 N ATOM 1197 CA ASP A 79 5.607 4.262 -2.013 1.00 0.00 C ATOM 1198 C ASP A 79 5.394 2.850 -1.476 1.00 0.00 C ATOM 1199 O ASP A 79 4.303 2.291 -1.583 1.00 0.00 O ATOM 1200 CB ASP A 79 5.753 5.246 -0.852 1.00 0.00 C ATOM 1201 CG ASP A 79 6.995 4.985 -0.024 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.100 5.352 -0.479 1.00 0.00 O ATOM 1203 OD2 ASP A 79 6.864 4.414 1.079 1.00 0.00 O ATOM 0 H ASP A 79 3.844 5.310 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 79 6.523 4.273 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.788 6.263 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.873 5.181 -0.212 1.00 0.00 H new ATOM 1208 N GLY A 80 6.446 2.278 -0.897 1.00 0.00 N ATOM 1209 CA GLY A 80 6.354 0.936 -0.353 1.00 0.00 C ATOM 1210 C GLY A 80 6.516 -0.133 -1.415 1.00 0.00 C ATOM 1211 O GLY A 80 7.084 -1.195 -1.156 1.00 0.00 O ATOM 0 H GLY A 80 7.360 2.720 -0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.120 0.804 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.389 0.812 0.139 1.00 0.00 H new ATOM 1215 N PHE A 81 6.015 0.145 -2.614 1.00 0.00 N ATOM 1216 CA PHE A 81 6.105 -0.802 -3.719 1.00 0.00 C ATOM 1217 C PHE A 81 7.455 -1.514 -3.717 1.00 0.00 C ATOM 1218 O PHE A 81 7.527 -2.730 -3.893 1.00 0.00 O ATOM 1219 CB PHE A 81 5.897 -0.083 -5.053 1.00 0.00 C ATOM 1220 CG PHE A 81 6.053 -0.980 -6.248 1.00 0.00 C ATOM 1221 CD1 PHE A 81 7.312 -1.292 -6.737 1.00 0.00 C ATOM 1222 CD2 PHE A 81 4.941 -1.510 -6.882 1.00 0.00 C ATOM 1223 CE1 PHE A 81 7.459 -2.117 -7.836 1.00 0.00 C ATOM 1224 CE2 PHE A 81 5.082 -2.336 -7.982 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.342 -2.638 -8.460 1.00 0.00 C ATOM 0 H PHE A 81 5.542 1.019 -2.845 1.00 0.00 H new ATOM 0 HA PHE A 81 5.321 -1.548 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.900 0.358 -5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.610 0.738 -5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.188 -0.886 -6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.953 -1.276 -6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.445 -2.354 -8.206 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.208 -2.745 -8.467 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.454 -3.281 -9.321 1.00 0.00 H new ATOM 1235 N SER A 82 8.521 -0.747 -3.516 1.00 0.00 N ATOM 1236 CA SER A 82 9.869 -1.303 -3.495 1.00 0.00 C ATOM 1237 C SER A 82 10.023 -2.312 -2.362 1.00 0.00 C ATOM 1238 O SER A 82 10.695 -3.332 -2.513 1.00 0.00 O ATOM 1239 CB SER A 82 10.902 -0.184 -3.341 1.00 0.00 C ATOM 1240 OG SER A 82 12.180 -0.710 -3.029 1.00 0.00 O ATOM 0 H SER A 82 8.478 0.261 -3.365 1.00 0.00 H new ATOM 0 HA SER A 82 10.038 -1.817 -4.441 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.958 0.393 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.586 0.502 -2.555 1.00 0.00 H new ATOM 0 HG SER A 82 12.822 0.024 -2.937 1.00 0.00 H new ATOM 1246 N GLU A 83 9.396 -2.019 -1.227 1.00 0.00 N ATOM 1247 CA GLU A 83 9.464 -2.900 -0.067 1.00 0.00 C ATOM 1248 C GLU A 83 8.757 -4.223 -0.347 1.00 0.00 C ATOM 1249 O GLU A 83 9.243 -5.291 0.027 1.00 0.00 O ATOM 1250 CB GLU A 83 8.837 -2.223 1.153 1.00 0.00 C ATOM 1251 CG GLU A 83 9.758 -1.225 1.835 1.00 0.00 C ATOM 1252 CD GLU A 83 9.446 -1.056 3.309 1.00 0.00 C ATOM 1253 OE1 GLU A 83 8.383 -0.482 3.628 1.00 0.00 O ATOM 1254 OE2 GLU A 83 10.263 -1.497 4.144 1.00 0.00 O ATOM 0 H GLU A 83 8.835 -1.179 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 83 10.514 -3.105 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.925 -1.712 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.546 -2.988 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.791 -1.553 1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.674 -0.259 1.337 1.00 0.00 H new ATOM 1261 N LEU A 84 7.607 -4.144 -1.008 1.00 0.00 N ATOM 1262 CA LEU A 84 6.832 -5.335 -1.339 1.00 0.00 C ATOM 1263 C LEU A 84 7.704 -6.379 -2.027 1.00 0.00 C ATOM 1264 O LEU A 84 8.641 -6.040 -2.751 1.00 0.00 O ATOM 1265 CB LEU A 84 5.652 -4.965 -2.239 1.00 0.00 C ATOM 1266 CG LEU A 84 4.736 -3.855 -1.723 1.00 0.00 C ATOM 1267 CD1 LEU A 84 3.588 -3.616 -2.693 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.204 -4.202 -0.340 1.00 0.00 C ATOM 0 H LEU A 84 7.191 -3.268 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 84 6.453 -5.762 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.043 -4.664 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.050 -5.859 -2.401 1.00 0.00 H new ATOM 0 HG LEU A 84 5.318 -2.936 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.947 -2.823 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.987 -3.322 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.007 -4.532 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.554 -3.401 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.638 -5.132 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.038 -4.322 0.351 1.00 0.00 H new ATOM 1280 N ARG A 85 7.389 -7.650 -1.799 1.00 0.00 N ATOM 1281 CA ARG A 85 8.144 -8.744 -2.398 1.00 0.00 C ATOM 1282 C ARG A 85 8.099 -8.665 -3.921 1.00 0.00 C ATOM 1283 O ARG A 85 7.247 -7.985 -4.492 1.00 0.00 O ATOM 1284 CB ARG A 85 7.590 -10.091 -1.929 1.00 0.00 C ATOM 1285 CG ARG A 85 7.885 -10.397 -0.470 1.00 0.00 C ATOM 1286 CD ARG A 85 9.338 -10.797 -0.268 1.00 0.00 C ATOM 1287 NE ARG A 85 9.647 -12.075 -0.905 1.00 0.00 N ATOM 1288 CZ ARG A 85 10.822 -12.356 -1.456 1.00 0.00 C ATOM 1289 NH1 ARG A 85 11.794 -11.455 -1.450 1.00 0.00 N ATOM 1290 NH2 ARG A 85 11.027 -13.542 -2.016 1.00 0.00 N ATOM 0 H ARG A 85 6.616 -7.947 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 85 9.182 -8.655 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.511 -10.104 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.010 -10.883 -2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.659 -9.522 0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.234 -11.201 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.987 -10.022 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.551 -10.863 0.799 1.00 0.00 H new ATOM 0 HE ARG A 85 8.920 -12.791 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.641 -10.542 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.695 -11.674 -1.874 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.282 -14.238 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.930 -13.757 -2.439 1.00 0.00 H new ATOM 1304 N TRP A 86 9.021 -9.365 -4.572 1.00 0.00 N ATOM 1305 CA TRP A 86 9.086 -9.374 -6.029 1.00 0.00 C ATOM 1306 C TRP A 86 7.711 -9.633 -6.634 1.00 0.00 C ATOM 1307 O TRP A 86 7.230 -8.857 -7.460 1.00 0.00 O ATOM 1308 CB TRP A 86 10.077 -10.436 -6.509 1.00 0.00 C ATOM 1309 CG TRP A 86 10.325 -10.393 -7.986 1.00 0.00 C ATOM 1310 CD1 TRP A 86 11.318 -9.713 -8.631 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.564 -11.055 -9.003 1.00 0.00 C ATOM 1312 NE1 TRP A 86 11.221 -9.913 -9.987 1.00 0.00 N ATOM 1313 CE2 TRP A 86 10.154 -10.733 -10.241 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.443 -11.890 -8.987 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.659 -11.217 -11.449 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.953 -12.369 -10.187 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.561 -12.032 -11.404 1.00 0.00 C ATOM 0 H TRP A 86 9.734 -9.933 -4.114 1.00 0.00 H new ATOM 0 HA TRP A 86 9.428 -8.393 -6.359 1.00 0.00 H new ATOM 0 HB2 TRP A 86 11.023 -10.303 -5.985 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.700 -11.423 -6.240 1.00 0.00 H new ATOM 0 HD1 TRP A 86 12.069 -9.107 -8.147 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.843 -9.515 -10.691 1.00 0.00 H new ATOM 0 HE3 TRP A 86 7.969 -12.156 -8.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 10.125 -10.958 -12.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 7.087 -13.014 -10.187 1.00 0.00 H new ATOM 0 HH2 TRP A 86 8.155 -12.424 -12.325 1.00 0.00 H new ATOM 1328 N ASP A 87 7.083 -10.727 -6.218 1.00 0.00 N ATOM 1329 CA ASP A 87 5.762 -11.087 -6.719 1.00 0.00 C ATOM 1330 C ASP A 87 4.802 -9.905 -6.619 1.00 0.00 C ATOM 1331 O ASP A 87 4.267 -9.441 -7.626 1.00 0.00 O ATOM 1332 CB ASP A 87 5.205 -12.279 -5.939 1.00 0.00 C ATOM 1333 CG ASP A 87 5.748 -13.603 -6.439 1.00 0.00 C ATOM 1334 OD1 ASP A 87 5.887 -13.760 -7.670 1.00 0.00 O ATOM 1335 OD2 ASP A 87 6.034 -14.481 -5.600 1.00 0.00 O ATOM 0 H ASP A 87 7.467 -11.380 -5.535 1.00 0.00 H new ATOM 0 HA ASP A 87 5.862 -11.364 -7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.450 -12.165 -4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.118 -12.283 -6.015 1.00 0.00 H new ATOM 1340 N ASP A 88 4.589 -9.424 -5.400 1.00 0.00 N ATOM 1341 CA ASP A 88 3.694 -8.296 -5.168 1.00 0.00 C ATOM 1342 C ASP A 88 4.026 -7.138 -6.104 1.00 0.00 C ATOM 1343 O ASP A 88 3.140 -6.573 -6.745 1.00 0.00 O ATOM 1344 CB ASP A 88 3.786 -7.834 -3.713 1.00 0.00 C ATOM 1345 CG ASP A 88 3.457 -8.942 -2.732 1.00 0.00 C ATOM 1346 OD1 ASP A 88 4.202 -9.943 -2.697 1.00 0.00 O ATOM 1347 OD2 ASP A 88 2.453 -8.808 -2.001 1.00 0.00 O ATOM 0 H ASP A 88 5.024 -9.797 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 88 2.675 -8.625 -5.372 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.792 -7.464 -3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.103 -6.999 -3.556 1.00 0.00 H new ATOM 1352 N GLN A 89 5.307 -6.790 -6.176 1.00 0.00 N ATOM 1353 CA GLN A 89 5.755 -5.698 -7.033 1.00 0.00 C ATOM 1354 C GLN A 89 5.160 -5.824 -8.431 1.00 0.00 C ATOM 1355 O GLN A 89 4.632 -4.858 -8.980 1.00 0.00 O ATOM 1356 CB GLN A 89 7.282 -5.680 -7.115 1.00 0.00 C ATOM 1357 CG GLN A 89 7.947 -5.006 -5.925 1.00 0.00 C ATOM 1358 CD GLN A 89 9.351 -4.525 -6.236 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.651 -4.140 -7.367 1.00 0.00 O ATOM 1360 NE2 GLN A 89 10.220 -4.544 -5.233 1.00 0.00 N ATOM 0 H GLN A 89 6.052 -7.248 -5.652 1.00 0.00 H new ATOM 0 HA GLN A 89 5.411 -4.761 -6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.646 -6.705 -7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.583 -5.166 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.339 -4.159 -5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.983 -5.705 -5.090 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.929 -4.871 -4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 89 11.179 -4.232 -5.383 1.00 0.00 H new ATOM 1369 N GLN A 90 5.251 -7.021 -9.002 1.00 0.00 N ATOM 1370 CA GLN A 90 4.722 -7.273 -10.337 1.00 0.00 C ATOM 1371 C GLN A 90 3.197 -7.271 -10.328 1.00 0.00 C ATOM 1372 O GLN A 90 2.561 -6.695 -11.211 1.00 0.00 O ATOM 1373 CB GLN A 90 5.240 -8.610 -10.870 1.00 0.00 C ATOM 1374 CG GLN A 90 6.756 -8.687 -10.950 1.00 0.00 C ATOM 1375 CD GLN A 90 7.313 -7.986 -12.174 1.00 0.00 C ATOM 1376 OE1 GLN A 90 6.818 -8.168 -13.286 1.00 0.00 O ATOM 1377 NE2 GLN A 90 8.347 -7.178 -11.974 1.00 0.00 N ATOM 0 H GLN A 90 5.686 -7.831 -8.561 1.00 0.00 H new ATOM 0 HA GLN A 90 5.064 -6.472 -10.993 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.877 -9.413 -10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.823 -8.782 -11.862 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.186 -8.241 -10.053 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.063 -9.733 -10.964 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.725 -7.057 -11.035 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.763 -6.678 -12.760 1.00 0.00 H new ATOM 1386 N LYS A 91 2.616 -7.921 -9.325 1.00 0.00 N ATOM 1387 CA LYS A 91 1.165 -7.995 -9.200 1.00 0.00 C ATOM 1388 C LYS A 91 0.539 -6.608 -9.302 1.00 0.00 C ATOM 1389 O LYS A 91 -0.343 -6.373 -10.129 1.00 0.00 O ATOM 1390 CB LYS A 91 0.780 -8.643 -7.868 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.719 -8.700 -7.630 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.044 -8.850 -6.153 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.026 -10.309 -5.724 1.00 0.00 C ATOM 1394 NZ LYS A 91 -1.028 -10.450 -4.241 1.00 0.00 N ATOM 0 H LYS A 91 3.128 -8.404 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 91 0.785 -8.607 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.183 -9.655 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.248 -8.088 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.184 -7.793 -8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.145 -9.537 -8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.322 -8.287 -5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.026 -8.422 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.895 -10.821 -6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.142 -10.798 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.015 -11.459 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.186 -9.984 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.884 -10.006 -3.851 1.00 0.00 H new ATOM 1408 N VAL A 92 1.000 -5.691 -8.457 1.00 0.00 N ATOM 1409 CA VAL A 92 0.487 -4.327 -8.454 1.00 0.00 C ATOM 1410 C VAL A 92 0.708 -3.653 -9.804 1.00 0.00 C ATOM 1411 O VAL A 92 -0.177 -2.974 -10.324 1.00 0.00 O ATOM 1412 CB VAL A 92 1.153 -3.479 -7.354 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.589 -2.066 -7.353 1.00 0.00 C ATOM 1414 CG2 VAL A 92 0.972 -4.135 -5.993 1.00 0.00 C ATOM 0 H VAL A 92 1.728 -5.869 -7.765 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.583 -4.392 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 92 2.221 -3.418 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.072 -1.482 -6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.775 -1.599 -8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.485 -2.103 -7.169 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.449 -3.523 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.091 -4.229 -5.773 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.429 -5.125 -6.002 1.00 0.00 H new ATOM 1424 N LYS A 93 1.896 -3.847 -10.367 1.00 0.00 N ATOM 1425 CA LYS A 93 2.235 -3.260 -11.658 1.00 0.00 C ATOM 1426 C LYS A 93 1.125 -3.503 -12.675 1.00 0.00 C ATOM 1427 O LYS A 93 0.593 -2.562 -13.265 1.00 0.00 O ATOM 1428 CB LYS A 93 3.552 -3.844 -12.176 1.00 0.00 C ATOM 1429 CG LYS A 93 4.778 -3.064 -11.734 1.00 0.00 C ATOM 1430 CD LYS A 93 5.921 -3.214 -12.725 1.00 0.00 C ATOM 1431 CE LYS A 93 7.235 -2.720 -12.139 1.00 0.00 C ATOM 1432 NZ LYS A 93 7.334 -1.235 -12.172 1.00 0.00 N ATOM 0 H LYS A 93 2.640 -4.406 -9.950 1.00 0.00 H new ATOM 0 HA LYS A 93 2.349 -2.185 -11.521 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.643 -4.874 -11.832 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.523 -3.873 -13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.522 -2.010 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.098 -3.413 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.020 -4.261 -13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.693 -2.655 -13.632 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.327 -3.067 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.066 -3.152 -12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.061 -0.920 -11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.594 -0.926 -13.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.417 -0.820 -11.911 1.00 0.00 H new ATOM 1446 N LYS A 94 0.778 -4.770 -12.874 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.272 -5.137 -13.817 1.00 0.00 C ATOM 1448 C LYS A 94 -1.615 -4.554 -13.391 1.00 0.00 C ATOM 1449 O LYS A 94 -2.231 -3.782 -14.127 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.377 -6.660 -13.928 1.00 0.00 C ATOM 1451 CG LYS A 94 0.621 -7.270 -14.897 1.00 0.00 C ATOM 1452 CD LYS A 94 2.023 -7.293 -14.312 1.00 0.00 C ATOM 1453 CE LYS A 94 3.074 -7.501 -15.392 1.00 0.00 C ATOM 1454 NZ LYS A 94 3.087 -8.904 -15.890 1.00 0.00 N ATOM 0 H LYS A 94 1.209 -5.560 -12.395 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.010 -4.725 -14.792 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.227 -7.099 -12.942 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.386 -6.924 -14.245 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.313 -8.285 -15.147 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.623 -6.700 -15.826 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.216 -6.356 -13.790 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.097 -8.090 -13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.880 -6.823 -16.223 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.057 -7.247 -14.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.816 -9.005 -16.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.297 -9.550 -15.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.157 -9.139 -16.291 1.00 0.00 H new ATOM 1468 N THR A 95 -2.065 -4.926 -12.196 1.00 0.00 N ATOM 1469 CA THR A 95 -3.334 -4.439 -11.671 1.00 0.00 C ATOM 1470 C THR A 95 -3.533 -2.963 -11.995 1.00 0.00 C ATOM 1471 O THR A 95 -4.558 -2.573 -12.553 1.00 0.00 O ATOM 1472 CB THR A 95 -3.424 -4.635 -10.146 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.172 -6.005 -9.813 1.00 0.00 O ATOM 1474 CG2 THR A 95 -4.794 -4.226 -9.628 1.00 0.00 C ATOM 0 H THR A 95 -1.568 -5.564 -11.574 1.00 0.00 H new ATOM 0 HA THR A 95 -4.119 -5.023 -12.151 1.00 0.00 H new ATOM 0 HB THR A 95 -2.672 -4.002 -9.675 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.207 -6.173 -9.827 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.834 -4.373 -8.549 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.971 -3.175 -9.858 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.561 -4.836 -10.106 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.546 -2.146 -11.642 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.612 -0.713 -11.898 1.00 0.00 C ATOM 1484 C ALA A 96 -3.142 -0.429 -13.299 1.00 0.00 C ATOM 1485 O ALA A 96 -4.025 0.409 -13.481 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.242 -0.079 -11.711 1.00 0.00 C ATOM 0 H ALA A 96 -1.691 -2.453 -11.178 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.304 -0.273 -11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.307 0.992 -11.906 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.902 -0.242 -10.688 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.534 -0.532 -12.405 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.595 -1.131 -14.287 1.00 0.00 N ATOM 1493 CA GLU A 97 -3.013 -0.953 -15.672 1.00 0.00 C ATOM 1494 C GLU A 97 -4.491 -1.289 -15.843 1.00 0.00 C ATOM 1495 O GLU A 97 -5.242 -0.539 -16.465 1.00 0.00 O ATOM 1496 CB GLU A 97 -2.169 -1.829 -16.600 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.757 -1.308 -16.812 1.00 0.00 C ATOM 1498 CD GLU A 97 -0.730 0.156 -17.207 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -0.913 0.450 -18.407 1.00 0.00 O ATOM 1500 OE2 GLU A 97 -0.524 1.007 -16.317 1.00 0.00 O ATOM 0 H GLU A 97 -1.862 -1.828 -14.154 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.864 0.094 -15.937 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.117 -2.836 -16.187 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.668 -1.906 -17.566 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.182 -1.444 -15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.268 -1.899 -17.586 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.902 -2.424 -15.286 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.290 -2.860 -15.375 1.00 0.00 C ATOM 1509 C ALA A 98 -7.242 -1.756 -14.927 1.00 0.00 C ATOM 1510 O ALA A 98 -8.268 -1.513 -15.561 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.503 -4.115 -14.540 1.00 0.00 C ATOM 0 H ALA A 98 -4.293 -3.058 -14.768 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.507 -3.089 -16.418 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.544 -4.430 -14.615 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.856 -4.911 -14.908 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.262 -3.904 -13.498 1.00 0.00 H new