USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 415 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 CYS SG : rot 58:sc= -0.574 USER MOD Single : A 14 THR OG1 : rot -38:sc= 0.74 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.26) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0.403 (180deg=0.381) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -178:sc= 0.427 USER MOD Single : A 31 GLN : amide:sc= -0.0734! C(o=-0.073!,f=-5.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -176:sc= 0 (180deg=-0.0372) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 101:sc= 1.34 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 10 -6.182 4.734 -4.715 1.00 0.00 N ATOM 169 CA VAL A 10 -7.121 4.651 -3.607 1.00 0.00 C ATOM 170 C VAL A 10 -7.708 3.249 -3.501 1.00 0.00 C ATOM 171 O VAL A 10 -7.717 2.496 -4.474 1.00 0.00 O ATOM 172 CB VAL A 10 -8.273 5.676 -3.742 1.00 0.00 C ATOM 173 CG1 VAL A 10 -7.749 7.098 -3.625 1.00 0.00 C ATOM 174 CG2 VAL A 10 -9.015 5.492 -5.056 1.00 0.00 C ATOM 0 HA VAL A 10 -6.559 4.884 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.973 5.498 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.577 7.800 -3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.273 7.232 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.021 7.283 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.819 6.225 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.324 5.632 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.435 4.487 -5.099 1.00 0.00 H new ATOM 184 N CYS A 11 -8.178 2.900 -2.314 1.00 0.00 N ATOM 185 CA CYS A 11 -8.799 1.605 -2.090 1.00 0.00 C ATOM 186 C CYS A 11 -10.234 1.619 -2.602 1.00 0.00 C ATOM 187 O CYS A 11 -10.938 2.613 -2.442 1.00 0.00 O ATOM 188 CB CYS A 11 -8.814 1.277 -0.596 1.00 0.00 C ATOM 189 SG CYS A 11 -7.241 1.534 0.247 1.00 0.00 S ATOM 0 H CYS A 11 -8.141 3.498 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.222 0.851 -2.625 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.575 1.889 -0.111 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.113 0.237 -0.469 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.871 2.772 0.108 1.00 0.00 H new ATOM 195 N PRO A 12 -10.706 0.505 -3.179 1.00 0.00 N ATOM 196 CA PRO A 12 -12.097 0.384 -3.628 1.00 0.00 C ATOM 197 C PRO A 12 -13.053 0.162 -2.455 1.00 0.00 C ATOM 198 O PRO A 12 -14.270 0.111 -2.625 1.00 0.00 O ATOM 199 CB PRO A 12 -12.066 -0.846 -4.533 1.00 0.00 C ATOM 200 CG PRO A 12 -10.948 -1.678 -4.006 1.00 0.00 C ATOM 201 CD PRO A 12 -9.923 -0.714 -3.467 1.00 0.00 C ATOM 0 HA PRO A 12 -12.454 1.285 -4.127 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.012 -1.387 -4.498 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.896 -0.568 -5.573 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.299 -2.351 -3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.521 -2.300 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.442 -1.102 -2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.134 -0.521 -4.194 1.00 0.00 H new ATOM 209 N VAL A 13 -12.481 0.038 -1.261 1.00 0.00 N ATOM 210 CA VAL A 13 -13.255 -0.236 -0.055 1.00 0.00 C ATOM 211 C VAL A 13 -13.764 1.053 0.591 1.00 0.00 C ATOM 212 O VAL A 13 -14.915 1.128 1.018 1.00 0.00 O ATOM 213 CB VAL A 13 -12.412 -1.020 0.978 1.00 0.00 C ATOM 214 CG1 VAL A 13 -13.240 -1.363 2.211 1.00 0.00 C ATOM 215 CG2 VAL A 13 -11.837 -2.282 0.350 1.00 0.00 C ATOM 0 H VAL A 13 -11.477 0.124 -1.103 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.110 -0.839 -0.359 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.585 -0.384 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.624 -1.914 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.597 -0.444 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.092 -1.976 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.247 -2.821 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.651 -2.918 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.201 -2.012 -0.493 1.00 0.00 H new ATOM 225 N THR A 14 -12.910 2.069 0.655 1.00 0.00 N ATOM 226 CA THR A 14 -13.266 3.310 1.336 1.00 0.00 C ATOM 227 C THR A 14 -12.581 4.521 0.687 1.00 0.00 C ATOM 228 O THR A 14 -12.576 5.621 1.240 1.00 0.00 O ATOM 229 CB THR A 14 -12.908 3.227 2.843 1.00 0.00 C ATOM 230 OG1 THR A 14 -13.380 4.387 3.541 1.00 0.00 O ATOM 231 CG2 THR A 14 -11.403 3.081 3.047 1.00 0.00 C ATOM 0 H THR A 14 -11.975 2.059 0.248 1.00 0.00 H new ATOM 0 HA THR A 14 -14.343 3.444 1.240 1.00 0.00 H new ATOM 0 HB THR A 14 -13.400 2.342 3.248 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.270 5.178 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.184 3.025 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.056 2.171 2.557 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.892 3.942 2.616 1.00 0.00 H new ATOM 239 N LYS A 15 -12.018 4.309 -0.502 1.00 0.00 N ATOM 240 CA LYS A 15 -11.342 5.370 -1.260 1.00 0.00 C ATOM 241 C LYS A 15 -10.149 5.958 -0.502 1.00 0.00 C ATOM 242 O LYS A 15 -9.725 7.079 -0.777 1.00 0.00 O ATOM 243 CB LYS A 15 -12.327 6.483 -1.638 1.00 0.00 C ATOM 244 CG LYS A 15 -13.412 6.037 -2.606 1.00 0.00 C ATOM 245 CD LYS A 15 -14.337 7.185 -2.971 1.00 0.00 C ATOM 246 CE LYS A 15 -15.137 7.672 -1.769 1.00 0.00 C ATOM 247 NZ LYS A 15 -15.909 8.902 -2.081 1.00 0.00 N ATOM 0 H LYS A 15 -12.016 3.402 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.957 4.909 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.796 6.864 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.774 7.310 -2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.953 5.637 -3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.991 5.230 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.750 8.010 -3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.021 6.865 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.820 6.887 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.460 7.869 -0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.440 9.202 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.255 9.659 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.573 8.707 -2.857 1.00 0.00 H new ATOM 261 N GLY A 16 -9.598 5.192 0.433 1.00 0.00 N ATOM 262 CA GLY A 16 -8.411 5.633 1.143 1.00 0.00 C ATOM 263 C GLY A 16 -7.176 5.505 0.281 1.00 0.00 C ATOM 264 O GLY A 16 -7.085 4.583 -0.529 1.00 0.00 O ATOM 0 H GLY A 16 -9.950 4.276 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.535 6.671 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.287 5.042 2.050 1.00 0.00 H new ATOM 268 N ARG A 17 -6.229 6.416 0.454 1.00 0.00 N ATOM 269 CA ARG A 17 -5.049 6.466 -0.382 1.00 0.00 C ATOM 270 C ARG A 17 -4.180 5.221 -0.217 1.00 0.00 C ATOM 271 O ARG A 17 -4.077 4.657 0.876 1.00 0.00 O ATOM 272 CB ARG A 17 -4.241 7.707 -0.036 1.00 0.00 C ATOM 273 CG ARG A 17 -4.995 9.015 -0.216 1.00 0.00 C ATOM 274 CD ARG A 17 -4.060 10.214 -0.117 1.00 0.00 C ATOM 275 NE ARG A 17 -3.289 10.222 1.130 1.00 0.00 N ATOM 276 CZ ARG A 17 -1.979 9.977 1.191 1.00 0.00 C ATOM 277 NH1 ARG A 17 -1.309 9.663 0.088 1.00 0.00 N ATOM 278 NH2 ARG A 17 -1.344 10.041 2.351 1.00 0.00 N ATOM 0 H ARG A 17 -6.261 7.136 1.176 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.373 6.504 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.908 7.633 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.346 7.729 -0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.493 9.019 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.774 9.095 0.543 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.374 10.207 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.643 11.132 -0.186 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.782 10.426 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.796 9.609 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.307 9.476 0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.856 10.278 3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.342 9.853 2.395 1.00 0.00 H new ATOM 292 N LEU A 18 -3.559 4.811 -1.314 1.00 0.00 N ATOM 293 CA LEU A 18 -2.674 3.657 -1.334 1.00 0.00 C ATOM 294 C LEU A 18 -1.295 4.042 -1.848 1.00 0.00 C ATOM 295 O LEU A 18 -1.159 4.562 -2.955 1.00 0.00 O ATOM 296 CB LEU A 18 -3.249 2.556 -2.226 1.00 0.00 C ATOM 297 CG LEU A 18 -4.397 1.755 -1.622 1.00 0.00 C ATOM 298 CD1 LEU A 18 -4.923 0.735 -2.625 1.00 0.00 C ATOM 299 CD2 LEU A 18 -3.925 1.065 -0.354 1.00 0.00 C ATOM 0 H LEU A 18 -3.656 5.272 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.586 3.289 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.594 3.009 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.446 1.867 -2.486 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.213 2.434 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.742 0.173 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.282 1.252 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.121 0.050 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.747 0.493 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.100 0.393 -0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.589 1.813 0.364 1.00 0.00 H new ATOM 311 N GLU A 19 -0.279 3.783 -1.042 1.00 0.00 N ATOM 312 CA GLU A 19 1.095 4.010 -1.451 1.00 0.00 C ATOM 313 C GLU A 19 1.905 2.733 -1.262 1.00 0.00 C ATOM 314 O GLU A 19 2.041 2.228 -0.142 1.00 0.00 O ATOM 315 CB GLU A 19 1.708 5.173 -0.668 1.00 0.00 C ATOM 316 CG GLU A 19 1.121 6.526 -1.046 1.00 0.00 C ATOM 317 CD GLU A 19 1.836 7.689 -0.392 1.00 0.00 C ATOM 318 OE1 GLU A 19 3.052 7.575 -0.127 1.00 0.00 O ATOM 319 OE2 GLU A 19 1.187 8.736 -0.164 1.00 0.00 O ATOM 0 H GLU A 19 -0.382 3.414 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 19 1.112 4.280 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.558 5.004 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.784 5.191 -0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.164 6.644 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.068 6.550 -0.764 1.00 0.00 H new ATOM 326 N TYR A 20 2.416 2.200 -2.363 1.00 0.00 N ATOM 327 CA TYR A 20 3.129 0.931 -2.334 1.00 0.00 C ATOM 328 C TYR A 20 4.551 1.110 -1.825 1.00 0.00 C ATOM 329 O TYR A 20 5.239 2.067 -2.179 1.00 0.00 O ATOM 330 CB TYR A 20 3.136 0.268 -3.721 1.00 0.00 C ATOM 331 CG TYR A 20 3.777 1.089 -4.822 1.00 0.00 C ATOM 332 CD1 TYR A 20 3.067 2.092 -5.471 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.089 0.855 -5.218 1.00 0.00 C ATOM 334 CE1 TYR A 20 3.643 2.836 -6.481 1.00 0.00 C ATOM 335 CE2 TYR A 20 5.673 1.595 -6.228 1.00 0.00 C ATOM 336 CZ TYR A 20 4.946 2.586 -6.856 1.00 0.00 C ATOM 337 OH TYR A 20 5.525 3.332 -7.859 1.00 0.00 O ATOM 0 H TYR A 20 2.350 2.627 -3.287 1.00 0.00 H new ATOM 0 HA TYR A 20 2.600 0.275 -1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.659 -0.685 -3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.108 0.046 -4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.047 2.293 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.661 0.082 -4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.075 3.611 -6.975 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.693 1.399 -6.525 1.00 0.00 H new ATOM 0 HH TYR A 20 6.447 3.030 -8.001 1.00 0.00 H new ATOM 347 N HIS A 21 4.977 0.187 -0.986 1.00 0.00 N ATOM 348 CA HIS A 21 6.320 0.215 -0.436 1.00 0.00 C ATOM 349 C HIS A 21 7.266 -0.572 -1.336 1.00 0.00 C ATOM 350 O HIS A 21 7.195 -1.800 -1.401 1.00 0.00 O ATOM 351 CB HIS A 21 6.312 -0.355 0.988 1.00 0.00 C ATOM 352 CG HIS A 21 7.657 -0.388 1.651 1.00 0.00 C ATOM 353 ND1 HIS A 21 8.393 0.744 1.929 1.00 0.00 N ATOM 354 CD2 HIS A 21 8.401 -1.432 2.084 1.00 0.00 C ATOM 355 CE1 HIS A 21 9.533 0.395 2.500 1.00 0.00 C ATOM 356 NE2 HIS A 21 9.563 -0.921 2.606 1.00 0.00 N ATOM 0 H HIS A 21 4.409 -0.598 -0.668 1.00 0.00 H new ATOM 0 HA HIS A 21 6.672 1.246 -0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.633 0.239 1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.910 -1.368 0.958 1.00 0.00 H new ATOM 0 HD2 HIS A 21 8.130 -2.476 2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.309 1.072 2.825 1.00 0.00 H new ATOM 0 HE2 HIS A 21 10.324 -1.467 3.009 1.00 0.00 H new ATOM 365 N GLN A 22 8.134 0.141 -2.046 1.00 0.00 N ATOM 366 CA GLN A 22 9.079 -0.498 -2.949 1.00 0.00 C ATOM 367 C GLN A 22 10.161 -1.202 -2.137 1.00 0.00 C ATOM 368 O GLN A 22 11.013 -0.562 -1.518 1.00 0.00 O ATOM 369 CB GLN A 22 9.690 0.521 -3.917 1.00 0.00 C ATOM 370 CG GLN A 22 10.565 -0.111 -4.989 1.00 0.00 C ATOM 371 CD GLN A 22 10.982 0.870 -6.067 1.00 0.00 C ATOM 372 OE1 GLN A 22 12.002 1.543 -5.951 1.00 0.00 O ATOM 373 NE2 GLN A 22 10.196 0.950 -7.130 1.00 0.00 N ATOM 0 H GLN A 22 8.201 1.158 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 22 8.551 -1.238 -3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.887 1.081 -4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.284 1.238 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.456 -0.530 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.026 -0.940 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.357 0.373 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.430 1.588 -7.890 1.00 0.00 H new ATOM 382 N ASP A 23 10.094 -2.524 -2.150 1.00 0.00 N ATOM 383 CA ASP A 23 10.889 -3.379 -1.273 1.00 0.00 C ATOM 384 C ASP A 23 10.436 -4.809 -1.507 1.00 0.00 C ATOM 385 O ASP A 23 11.176 -5.645 -2.023 1.00 0.00 O ATOM 386 CB ASP A 23 10.657 -2.981 0.193 1.00 0.00 C ATOM 387 CG ASP A 23 11.476 -3.766 1.205 1.00 0.00 C ATOM 388 OD1 ASP A 23 12.110 -4.771 0.838 1.00 0.00 O ATOM 389 OD2 ASP A 23 11.472 -3.373 2.394 1.00 0.00 O ATOM 0 H ASP A 23 9.479 -3.043 -2.777 1.00 0.00 H new ATOM 0 HA ASP A 23 11.953 -3.275 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.884 -1.921 0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.600 -3.108 0.426 1.00 0.00 H new ATOM 394 N LYS A 24 9.191 -5.058 -1.137 1.00 0.00 N ATOM 395 CA LYS A 24 8.506 -6.292 -1.470 1.00 0.00 C ATOM 396 C LYS A 24 7.369 -5.978 -2.433 1.00 0.00 C ATOM 397 O LYS A 24 6.714 -6.871 -2.966 1.00 0.00 O ATOM 398 CB LYS A 24 7.941 -6.929 -0.208 1.00 0.00 C ATOM 399 CG LYS A 24 8.980 -7.209 0.863 1.00 0.00 C ATOM 400 CD LYS A 24 8.318 -7.666 2.150 1.00 0.00 C ATOM 401 CE LYS A 24 7.482 -8.918 1.933 1.00 0.00 C ATOM 402 NZ LYS A 24 6.544 -9.159 3.061 1.00 0.00 N ATOM 0 H LYS A 24 8.626 -4.405 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 24 9.207 -6.986 -1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.176 -6.273 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.449 -7.864 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.672 -7.975 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.567 -6.310 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.081 -7.863 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.686 -6.868 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.918 -8.822 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.140 -9.779 1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.066 -10.073 2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.074 -9.175 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.835 -8.398 3.092 1.00 0.00 H new ATOM 416 N GLN A 25 7.161 -4.677 -2.638 1.00 0.00 N ATOM 417 CA GLN A 25 6.073 -4.155 -3.452 1.00 0.00 C ATOM 418 C GLN A 25 4.719 -4.576 -2.900 1.00 0.00 C ATOM 419 O GLN A 25 3.989 -5.362 -3.506 1.00 0.00 O ATOM 420 CB GLN A 25 6.217 -4.560 -4.918 1.00 0.00 C ATOM 421 CG GLN A 25 7.470 -3.999 -5.566 1.00 0.00 C ATOM 422 CD GLN A 25 7.294 -3.757 -7.047 1.00 0.00 C ATOM 423 OE1 GLN A 25 7.556 -4.631 -7.867 1.00 0.00 O ATOM 424 NE2 GLN A 25 6.851 -2.558 -7.393 1.00 0.00 N ATOM 0 H GLN A 25 7.753 -3.950 -2.236 1.00 0.00 H new ATOM 0 HA GLN A 25 6.131 -3.068 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.233 -5.648 -4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.343 -4.217 -5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.740 -3.063 -5.077 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.298 -4.691 -5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.646 -1.863 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.714 -2.329 -8.378 1.00 0.00 H new ATOM 433 N GLU A 26 4.407 -4.055 -1.725 1.00 0.00 N ATOM 434 CA GLU A 26 3.116 -4.274 -1.109 1.00 0.00 C ATOM 435 C GLU A 26 2.391 -2.939 -0.962 1.00 0.00 C ATOM 436 O GLU A 26 3.022 -1.911 -0.696 1.00 0.00 O ATOM 437 CB GLU A 26 3.291 -4.938 0.262 1.00 0.00 C ATOM 438 CG GLU A 26 3.966 -6.302 0.202 1.00 0.00 C ATOM 439 CD GLU A 26 4.180 -6.916 1.572 1.00 0.00 C ATOM 440 OE1 GLU A 26 5.237 -6.656 2.186 1.00 0.00 O ATOM 441 OE2 GLU A 26 3.303 -7.670 2.040 1.00 0.00 O ATOM 0 H GLU A 26 5.040 -3.472 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 26 2.523 -4.936 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.879 -4.280 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.313 -5.047 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.358 -6.976 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.928 -6.204 -0.301 1.00 0.00 H new ATOM 448 N LEU A 27 1.084 -2.950 -1.160 1.00 0.00 N ATOM 449 CA LEU A 27 0.275 -1.752 -0.979 1.00 0.00 C ATOM 450 C LEU A 27 -0.098 -1.608 0.483 1.00 0.00 C ATOM 451 O LEU A 27 -0.783 -2.463 1.035 1.00 0.00 O ATOM 452 CB LEU A 27 -1.001 -1.825 -1.821 1.00 0.00 C ATOM 453 CG LEU A 27 -0.810 -1.648 -3.327 1.00 0.00 C ATOM 454 CD1 LEU A 27 -2.099 -1.973 -4.065 1.00 0.00 C ATOM 455 CD2 LEU A 27 -0.371 -0.228 -3.646 1.00 0.00 C ATOM 0 H LEU A 27 0.558 -3.775 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 27 0.859 -0.890 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.477 -2.790 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.692 -1.059 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.032 -2.336 -3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.948 -1.842 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.384 -3.005 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.891 -1.305 -3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.240 -0.121 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.130 0.474 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.573 -0.017 -3.143 1.00 0.00 H new ATOM 467 N TRP A 28 0.319 -0.521 1.104 1.00 0.00 N ATOM 468 CA TRP A 28 0.095 -0.354 2.527 1.00 0.00 C ATOM 469 C TRP A 28 -1.202 0.395 2.773 1.00 0.00 C ATOM 470 O TRP A 28 -1.285 1.605 2.580 1.00 0.00 O ATOM 471 CB TRP A 28 1.268 0.388 3.179 1.00 0.00 C ATOM 472 CG TRP A 28 2.494 -0.459 3.379 1.00 0.00 C ATOM 473 CD1 TRP A 28 2.914 -1.505 2.607 1.00 0.00 C ATOM 474 CD2 TRP A 28 3.465 -0.317 4.422 1.00 0.00 C ATOM 475 NE1 TRP A 28 4.084 -2.023 3.112 1.00 0.00 N ATOM 476 CE2 TRP A 28 4.443 -1.309 4.223 1.00 0.00 C ATOM 477 CE3 TRP A 28 3.604 0.560 5.505 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.538 -1.452 5.071 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.691 0.416 6.346 1.00 0.00 C ATOM 480 CH2 TRP A 28 5.649 -0.581 6.122 1.00 0.00 C ATOM 0 H TRP A 28 0.809 0.251 0.652 1.00 0.00 H new ATOM 0 HA TRP A 28 0.021 -1.343 2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.530 1.247 2.561 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.946 0.777 4.145 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.403 -1.871 1.729 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.600 -2.811 2.722 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.874 1.336 5.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.275 -2.224 4.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.804 1.082 7.189 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.492 -0.665 6.792 1.00 0.00 H new ATOM 491 N SER A 29 -2.216 -0.344 3.184 1.00 0.00 N ATOM 492 CA SER A 29 -3.511 0.230 3.479 1.00 0.00 C ATOM 493 C SER A 29 -3.655 0.404 4.982 1.00 0.00 C ATOM 494 O SER A 29 -4.280 -0.416 5.651 1.00 0.00 O ATOM 495 CB SER A 29 -4.619 -0.680 2.948 1.00 0.00 C ATOM 496 OG SER A 29 -4.279 -1.195 1.673 1.00 0.00 O ATOM 0 H SER A 29 -2.164 -1.353 3.321 1.00 0.00 H new ATOM 0 HA SER A 29 -3.595 1.202 2.994 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.786 -1.502 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.553 -0.123 2.883 1.00 0.00 H new ATOM 0 HG SER A 29 -5.015 -1.747 1.336 1.00 0.00 H new ATOM 502 N ARG A 30 -3.052 1.456 5.512 1.00 0.00 N ATOM 503 CA ARG A 30 -3.048 1.689 6.952 1.00 0.00 C ATOM 504 C ARG A 30 -4.469 1.912 7.452 1.00 0.00 C ATOM 505 O ARG A 30 -4.846 1.434 8.521 1.00 0.00 O ATOM 506 CB ARG A 30 -2.151 2.890 7.283 1.00 0.00 C ATOM 507 CG ARG A 30 -1.685 2.953 8.732 1.00 0.00 C ATOM 508 CD ARG A 30 -2.754 3.490 9.671 1.00 0.00 C ATOM 509 NE ARG A 30 -2.248 3.629 11.035 1.00 0.00 N ATOM 510 CZ ARG A 30 -2.764 4.448 11.948 1.00 0.00 C ATOM 511 NH1 ARG A 30 -3.828 5.192 11.662 1.00 0.00 N ATOM 512 NH2 ARG A 30 -2.224 4.506 13.160 1.00 0.00 N ATOM 0 H ARG A 30 -2.558 2.164 4.969 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.647 0.811 7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.275 2.863 6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.692 3.807 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.389 1.956 9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.799 3.585 8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.103 4.458 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.613 2.819 9.667 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.446 3.060 11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.255 5.137 10.737 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.218 5.817 12.367 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.417 3.924 13.387 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.616 5.132 13.863 1.00 0.00 H new ATOM 526 N GLN A 31 -5.257 2.610 6.649 1.00 0.00 N ATOM 527 CA GLN A 31 -6.633 2.915 6.977 1.00 0.00 C ATOM 528 C GLN A 31 -7.477 1.641 7.056 1.00 0.00 C ATOM 529 O GLN A 31 -8.493 1.598 7.749 1.00 0.00 O ATOM 530 CB GLN A 31 -7.212 3.862 5.928 1.00 0.00 C ATOM 531 CG GLN A 31 -6.366 5.105 5.664 1.00 0.00 C ATOM 532 CD GLN A 31 -5.262 4.861 4.648 1.00 0.00 C ATOM 533 OE1 GLN A 31 -4.157 4.451 4.997 1.00 0.00 O ATOM 534 NE2 GLN A 31 -5.554 5.124 3.386 1.00 0.00 N ATOM 0 H GLN A 31 -4.955 2.981 5.748 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.656 3.395 7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.336 3.316 4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.206 4.175 6.248 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.010 5.909 5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.923 5.443 6.601 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.483 5.463 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.850 4.988 2.661 1.00 0.00 H new ATOM 543 N ALA A 32 -7.050 0.604 6.347 1.00 0.00 N ATOM 544 CA ALA A 32 -7.772 -0.663 6.336 1.00 0.00 C ATOM 545 C ALA A 32 -7.041 -1.711 7.169 1.00 0.00 C ATOM 546 O ALA A 32 -7.531 -2.823 7.353 1.00 0.00 O ATOM 547 CB ALA A 32 -7.951 -1.152 4.907 1.00 0.00 C ATOM 0 H ALA A 32 -6.208 0.615 5.772 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.755 -0.503 6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.491 -2.099 4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.517 -0.414 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.974 -1.294 4.446 1.00 0.00 H new ATOM 553 N LYS A 33 -5.865 -1.328 7.670 1.00 0.00 N ATOM 554 CA LYS A 33 -4.996 -2.214 8.448 1.00 0.00 C ATOM 555 C LYS A 33 -4.555 -3.424 7.625 1.00 0.00 C ATOM 556 O LYS A 33 -4.197 -4.469 8.176 1.00 0.00 O ATOM 557 CB LYS A 33 -5.693 -2.667 9.737 1.00 0.00 C ATOM 558 CG LYS A 33 -6.095 -1.516 10.647 1.00 0.00 C ATOM 559 CD LYS A 33 -6.778 -2.014 11.911 1.00 0.00 C ATOM 560 CE LYS A 33 -5.810 -2.753 12.826 1.00 0.00 C ATOM 561 NZ LYS A 33 -6.495 -3.291 14.032 1.00 0.00 N ATOM 0 H LYS A 33 -5.486 -0.389 7.547 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.104 -1.648 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.582 -3.242 9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.029 -3.337 10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.211 -0.937 10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.766 -0.845 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.211 -1.169 12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.601 -2.676 11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.343 -3.571 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.011 -2.078 13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.805 -3.787 14.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.919 -2.508 14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.241 -3.955 13.741 1.00 0.00 H new ATOM 575 N LEU A 34 -4.526 -3.256 6.308 1.00 0.00 N ATOM 576 CA LEU A 34 -4.205 -4.350 5.403 1.00 0.00 C ATOM 577 C LEU A 34 -3.100 -3.958 4.432 1.00 0.00 C ATOM 578 O LEU A 34 -2.647 -2.815 4.408 1.00 0.00 O ATOM 579 CB LEU A 34 -5.438 -4.776 4.599 1.00 0.00 C ATOM 580 CG LEU A 34 -6.637 -5.259 5.419 1.00 0.00 C ATOM 581 CD1 LEU A 34 -7.825 -5.531 4.511 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.281 -6.508 6.210 1.00 0.00 C ATOM 0 H LEU A 34 -4.722 -2.369 5.843 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.864 -5.182 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.757 -3.933 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.145 -5.573 3.916 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.908 -4.472 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.669 -5.874 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.099 -4.616 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.559 -6.299 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.148 -6.834 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.982 -7.300 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.457 -6.286 6.889 1.00 0.00 H new ATOM 594 N ALA A 35 -2.683 -4.922 3.639 1.00 0.00 N ATOM 595 CA ALA A 35 -1.685 -4.718 2.608 1.00 0.00 C ATOM 596 C ALA A 35 -2.027 -5.572 1.393 1.00 0.00 C ATOM 597 O ALA A 35 -2.283 -6.772 1.525 1.00 0.00 O ATOM 598 CB ALA A 35 -0.296 -5.060 3.129 1.00 0.00 C ATOM 0 H ALA A 35 -3.030 -5.880 3.692 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.684 -3.668 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.438 -4.900 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.059 -4.421 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.271 -6.104 3.441 1.00 0.00 H new ATOM 604 N TYR A 36 -2.053 -4.963 0.218 1.00 0.00 N ATOM 605 CA TYR A 36 -2.367 -5.700 -1.001 1.00 0.00 C ATOM 606 C TYR A 36 -1.087 -6.100 -1.723 1.00 0.00 C ATOM 607 O TYR A 36 -0.121 -5.339 -1.746 1.00 0.00 O ATOM 608 CB TYR A 36 -3.247 -4.863 -1.935 1.00 0.00 C ATOM 609 CG TYR A 36 -4.582 -4.481 -1.340 1.00 0.00 C ATOM 610 CD1 TYR A 36 -5.597 -5.418 -1.205 1.00 0.00 C ATOM 611 CD2 TYR A 36 -4.830 -3.179 -0.929 1.00 0.00 C ATOM 612 CE1 TYR A 36 -6.822 -5.068 -0.669 1.00 0.00 C ATOM 613 CE2 TYR A 36 -6.052 -2.823 -0.391 1.00 0.00 C ATOM 614 CZ TYR A 36 -7.044 -3.770 -0.266 1.00 0.00 C ATOM 615 OH TYR A 36 -8.262 -3.417 0.264 1.00 0.00 O ATOM 0 H TYR A 36 -1.863 -3.970 0.080 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.915 -6.599 -0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.709 -3.955 -2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.417 -5.422 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.427 -6.436 -1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.056 -2.433 -1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.601 -5.809 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.228 -1.807 -0.070 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.253 -2.466 0.498 1.00 0.00 H new ATOM 625 N PRO A 37 -1.064 -7.297 -2.327 1.00 0.00 N ATOM 626 CA PRO A 37 0.096 -7.797 -3.056 1.00 0.00 C ATOM 627 C PRO A 37 0.187 -7.223 -4.467 1.00 0.00 C ATOM 628 O PRO A 37 -0.763 -7.314 -5.251 1.00 0.00 O ATOM 629 CB PRO A 37 -0.129 -9.319 -3.110 1.00 0.00 C ATOM 630 CG PRO A 37 -1.413 -9.581 -2.380 1.00 0.00 C ATOM 631 CD PRO A 37 -2.153 -8.276 -2.336 1.00 0.00 C ATOM 0 HA PRO A 37 1.029 -7.512 -2.570 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.190 -9.667 -4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.700 -9.851 -2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.001 -10.343 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.218 -9.951 -1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.806 -8.150 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.780 -8.194 -1.448 1.00 0.00 H new ATOM 639 N ILE A 38 1.322 -6.618 -4.778 1.00 0.00 N ATOM 640 CA ILE A 38 1.574 -6.109 -6.117 1.00 0.00 C ATOM 641 C ILE A 38 2.416 -7.104 -6.898 1.00 0.00 C ATOM 642 O ILE A 38 3.506 -7.475 -6.467 1.00 0.00 O ATOM 643 CB ILE A 38 2.293 -4.740 -6.067 1.00 0.00 C ATOM 644 CG1 ILE A 38 1.321 -3.655 -5.596 1.00 0.00 C ATOM 645 CG2 ILE A 38 2.890 -4.377 -7.424 1.00 0.00 C ATOM 646 CD1 ILE A 38 0.333 -3.222 -6.654 1.00 0.00 C ATOM 0 H ILE A 38 2.086 -6.467 -4.119 1.00 0.00 H new ATOM 0 HA ILE A 38 0.614 -5.973 -6.615 1.00 0.00 H new ATOM 0 HB ILE A 38 3.115 -4.812 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.773 -4.023 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.892 -2.786 -5.268 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.388 -3.410 -7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.613 -5.138 -7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.096 -4.324 -8.169 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.322 -2.452 -6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.872 -2.823 -7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.265 -4.079 -6.966 1.00 0.00 H new ATOM 658 N LYS A 39 1.904 -7.543 -8.037 1.00 0.00 N ATOM 659 CA LYS A 39 2.625 -8.465 -8.887 1.00 0.00 C ATOM 660 C LYS A 39 2.890 -7.844 -10.254 1.00 0.00 C ATOM 661 O LYS A 39 2.005 -7.810 -11.109 1.00 0.00 O ATOM 662 CB LYS A 39 1.831 -9.761 -9.030 1.00 0.00 C ATOM 663 CG LYS A 39 1.889 -10.649 -7.795 1.00 0.00 C ATOM 664 CD LYS A 39 0.993 -11.867 -7.933 1.00 0.00 C ATOM 665 CE LYS A 39 1.179 -12.833 -6.773 1.00 0.00 C ATOM 666 NZ LYS A 39 0.235 -13.977 -6.846 1.00 0.00 N ATOM 0 H LYS A 39 0.987 -7.271 -8.392 1.00 0.00 H new ATOM 0 HA LYS A 39 3.588 -8.688 -8.428 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.790 -9.518 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.211 -10.318 -9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.917 -10.971 -7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.588 -10.074 -6.919 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.049 -11.550 -7.980 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.213 -12.377 -8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.203 -13.207 -6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.034 -12.302 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.395 -14.611 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.742 -13.623 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.390 -14.499 -7.732 1.00 0.00 H new ATOM 680 N ASP A 40 4.098 -7.302 -10.420 1.00 0.00 N ATOM 681 CA ASP A 40 4.546 -6.718 -11.691 1.00 0.00 C ATOM 682 C ASP A 40 3.722 -5.489 -12.065 1.00 0.00 C ATOM 683 O ASP A 40 3.691 -5.074 -13.222 1.00 0.00 O ATOM 684 CB ASP A 40 4.494 -7.758 -12.817 1.00 0.00 C ATOM 685 CG ASP A 40 5.512 -8.867 -12.632 1.00 0.00 C ATOM 686 OD1 ASP A 40 5.241 -9.812 -11.863 1.00 0.00 O ATOM 687 OD2 ASP A 40 6.581 -8.819 -13.278 1.00 0.00 O ATOM 0 H ASP A 40 4.796 -7.254 -9.678 1.00 0.00 H new ATOM 0 HA ASP A 40 5.580 -6.400 -11.557 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.495 -8.191 -12.862 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.670 -7.263 -13.772 1.00 0.00 H new ATOM 692 N GLY A 41 3.086 -4.890 -11.071 1.00 0.00 N ATOM 693 CA GLY A 41 2.264 -3.721 -11.319 1.00 0.00 C ATOM 694 C GLY A 41 0.790 -4.062 -11.361 1.00 0.00 C ATOM 695 O GLY A 41 -0.044 -3.211 -11.668 1.00 0.00 O ATOM 0 H GLY A 41 3.123 -5.191 -10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.443 -2.980 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.558 -3.265 -12.265 1.00 0.00 H new ATOM 699 N ILE A 42 0.481 -5.316 -11.064 1.00 0.00 N ATOM 700 CA ILE A 42 -0.896 -5.795 -11.010 1.00 0.00 C ATOM 701 C ILE A 42 -1.342 -5.980 -9.560 1.00 0.00 C ATOM 702 O ILE A 42 -1.094 -7.027 -8.959 1.00 0.00 O ATOM 703 CB ILE A 42 -1.079 -7.121 -11.781 1.00 0.00 C ATOM 704 CG1 ILE A 42 -0.645 -6.955 -13.240 1.00 0.00 C ATOM 705 CG2 ILE A 42 -2.527 -7.588 -11.708 1.00 0.00 C ATOM 706 CD1 ILE A 42 -1.438 -5.913 -14.010 1.00 0.00 C ATOM 0 H ILE A 42 1.177 -6.032 -10.853 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.516 -5.038 -11.490 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.449 -7.879 -11.315 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.410 -6.684 -13.265 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.739 -7.915 -13.747 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.636 -8.523 -12.257 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.807 -7.744 -10.666 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.176 -6.831 -12.149 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.068 -5.858 -15.034 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.492 -6.192 -14.020 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.324 -4.941 -13.530 1.00 0.00 H new ATOM 718 N PRO A 43 -1.923 -4.930 -8.949 1.00 0.00 N ATOM 719 CA PRO A 43 -2.389 -4.981 -7.561 1.00 0.00 C ATOM 720 C PRO A 43 -3.503 -6.010 -7.367 1.00 0.00 C ATOM 721 O PRO A 43 -4.578 -5.891 -7.960 1.00 0.00 O ATOM 722 CB PRO A 43 -2.940 -3.572 -7.301 1.00 0.00 C ATOM 723 CG PRO A 43 -3.209 -3.002 -8.650 1.00 0.00 C ATOM 724 CD PRO A 43 -2.196 -3.624 -9.571 1.00 0.00 C ATOM 0 HA PRO A 43 -1.587 -5.272 -6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.849 -3.609 -6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.221 -2.963 -6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.224 -3.230 -8.975 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.114 -1.916 -8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.588 -3.735 -10.582 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.293 -3.017 -9.643 1.00 0.00 H new ATOM 732 N TYR A 44 -3.254 -7.014 -6.543 1.00 0.00 N ATOM 733 CA TYR A 44 -4.266 -8.011 -6.242 1.00 0.00 C ATOM 734 C TYR A 44 -5.118 -7.552 -5.074 1.00 0.00 C ATOM 735 O TYR A 44 -4.955 -8.001 -3.938 1.00 0.00 O ATOM 736 CB TYR A 44 -3.640 -9.376 -5.960 1.00 0.00 C ATOM 737 CG TYR A 44 -3.328 -10.156 -7.219 1.00 0.00 C ATOM 738 CD1 TYR A 44 -2.209 -9.861 -7.984 1.00 0.00 C ATOM 739 CD2 TYR A 44 -4.159 -11.188 -7.644 1.00 0.00 C ATOM 740 CE1 TYR A 44 -1.928 -10.567 -9.137 1.00 0.00 C ATOM 741 CE2 TYR A 44 -3.882 -11.899 -8.795 1.00 0.00 C ATOM 742 CZ TYR A 44 -2.765 -11.586 -9.536 1.00 0.00 C ATOM 743 OH TYR A 44 -2.487 -12.293 -10.683 1.00 0.00 O ATOM 0 H TYR A 44 -2.361 -7.160 -6.072 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.905 -8.123 -7.118 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.722 -9.237 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.318 -9.959 -5.337 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.547 -9.066 -7.673 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.035 -11.437 -7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.055 -10.321 -9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.538 -12.696 -9.112 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.175 -12.977 -10.821 1.00 0.00 H new ATOM 753 N MET A 45 -6.000 -6.611 -5.366 1.00 0.00 N ATOM 754 CA MET A 45 -6.908 -6.065 -4.368 1.00 0.00 C ATOM 755 C MET A 45 -8.065 -7.024 -4.116 1.00 0.00 C ATOM 756 O MET A 45 -9.211 -6.737 -4.457 1.00 0.00 O ATOM 757 CB MET A 45 -7.453 -4.706 -4.817 1.00 0.00 C ATOM 758 CG MET A 45 -6.383 -3.647 -5.026 1.00 0.00 C ATOM 759 SD MET A 45 -7.070 -2.061 -5.543 1.00 0.00 S ATOM 760 CE MET A 45 -5.580 -1.089 -5.748 1.00 0.00 C ATOM 0 H MET A 45 -6.108 -6.205 -6.296 1.00 0.00 H new ATOM 0 HA MET A 45 -6.349 -5.932 -3.442 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.006 -4.837 -5.747 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.163 -4.347 -4.072 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.824 -3.512 -4.100 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.675 -3.995 -5.778 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.847 -0.062 -5.997 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.008 -1.100 -4.820 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.977 -1.512 -6.551 1.00 0.00 H new ATOM 770 N LEU A 46 -7.749 -8.177 -3.553 1.00 0.00 N ATOM 771 CA LEU A 46 -8.745 -9.170 -3.223 1.00 0.00 C ATOM 772 C LEU A 46 -8.944 -9.214 -1.718 1.00 0.00 C ATOM 773 O LEU A 46 -7.990 -9.424 -0.972 1.00 0.00 O ATOM 774 CB LEU A 46 -8.302 -10.534 -3.745 1.00 0.00 C ATOM 775 CG LEU A 46 -8.161 -10.631 -5.266 1.00 0.00 C ATOM 776 CD1 LEU A 46 -7.565 -11.971 -5.660 1.00 0.00 C ATOM 777 CD2 LEU A 46 -9.512 -10.428 -5.940 1.00 0.00 C ATOM 0 H LEU A 46 -6.795 -8.447 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.693 -8.907 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.344 -10.787 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.020 -11.284 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.487 -9.843 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.472 -12.023 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.580 -12.079 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.215 -12.774 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.394 -10.500 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.208 -11.195 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.903 -9.444 -5.683 1.00 0.00 H new ATOM 789 N GLU A 47 -10.183 -9.009 -1.288 1.00 0.00 N ATOM 790 CA GLU A 47 -10.530 -8.944 0.133 1.00 0.00 C ATOM 791 C GLU A 47 -9.971 -10.138 0.905 1.00 0.00 C ATOM 792 O GLU A 47 -9.418 -9.986 1.996 1.00 0.00 O ATOM 793 CB GLU A 47 -12.052 -8.919 0.317 1.00 0.00 C ATOM 794 CG GLU A 47 -12.800 -8.005 -0.637 1.00 0.00 C ATOM 795 CD GLU A 47 -12.981 -8.634 -2.002 1.00 0.00 C ATOM 796 OE1 GLU A 47 -13.776 -9.590 -2.117 1.00 0.00 O ATOM 797 OE2 GLU A 47 -12.297 -8.212 -2.950 1.00 0.00 O ATOM 0 H GLU A 47 -10.979 -8.883 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.089 -8.027 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.434 -9.933 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.274 -8.612 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.776 -7.764 -0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.256 -7.066 -0.740 1.00 0.00 H new ATOM 804 N ASN A 48 -10.129 -11.320 0.329 1.00 0.00 N ATOM 805 CA ASN A 48 -9.749 -12.562 0.993 1.00 0.00 C ATOM 806 C ASN A 48 -8.237 -12.777 1.012 1.00 0.00 C ATOM 807 O ASN A 48 -7.687 -13.267 2.002 1.00 0.00 O ATOM 808 CB ASN A 48 -10.456 -13.749 0.328 1.00 0.00 C ATOM 809 CG ASN A 48 -9.949 -15.091 0.817 1.00 0.00 C ATOM 810 OD1 ASN A 48 -10.362 -15.578 1.866 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.076 -15.713 0.039 1.00 0.00 N ATOM 0 H ASN A 48 -10.521 -11.447 -0.604 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.067 -12.487 2.033 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.527 -13.680 0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.320 -13.687 -0.752 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.721 -16.632 0.304 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.758 -15.273 -0.825 1.00 0.00 H new ATOM 818 N GLU A 49 -7.563 -12.398 -0.061 1.00 0.00 N ATOM 819 CA GLU A 49 -6.133 -12.669 -0.189 1.00 0.00 C ATOM 820 C GLU A 49 -5.286 -11.499 0.299 1.00 0.00 C ATOM 821 O GLU A 49 -4.070 -11.625 0.442 1.00 0.00 O ATOM 822 CB GLU A 49 -5.770 -13.036 -1.629 1.00 0.00 C ATOM 823 CG GLU A 49 -6.443 -14.312 -2.102 1.00 0.00 C ATOM 824 CD GLU A 49 -5.656 -15.026 -3.179 1.00 0.00 C ATOM 825 OE1 GLU A 49 -5.747 -14.628 -4.355 1.00 0.00 O ATOM 826 OE2 GLU A 49 -4.957 -16.009 -2.853 1.00 0.00 O ATOM 0 H GLU A 49 -7.975 -11.905 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.910 -13.523 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.052 -12.216 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.689 -13.151 -1.708 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.579 -14.982 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.437 -14.074 -2.482 1.00 0.00 H new ATOM 833 N ALA A 50 -5.920 -10.362 0.548 1.00 0.00 N ATOM 834 CA ALA A 50 -5.241 -9.239 1.177 1.00 0.00 C ATOM 835 C ALA A 50 -4.682 -9.658 2.531 1.00 0.00 C ATOM 836 O ALA A 50 -5.351 -10.358 3.297 1.00 0.00 O ATOM 837 CB ALA A 50 -6.188 -8.062 1.337 1.00 0.00 C ATOM 0 H ALA A 50 -6.901 -10.193 0.325 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.416 -8.929 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.661 -7.233 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.551 -7.751 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.033 -8.357 1.960 1.00 0.00 H new ATOM 843 N ARG A 51 -3.454 -9.260 2.816 1.00 0.00 N ATOM 844 CA ARG A 51 -2.807 -9.632 4.059 1.00 0.00 C ATOM 845 C ARG A 51 -2.859 -8.466 5.032 1.00 0.00 C ATOM 846 O ARG A 51 -2.795 -7.319 4.617 1.00 0.00 O ATOM 847 CB ARG A 51 -1.358 -10.047 3.793 1.00 0.00 C ATOM 848 CG ARG A 51 -1.206 -11.238 2.848 1.00 0.00 C ATOM 849 CD ARG A 51 -1.813 -12.518 3.418 1.00 0.00 C ATOM 850 NE ARG A 51 -3.274 -12.459 3.495 1.00 0.00 N ATOM 851 CZ ARG A 51 -4.035 -13.371 4.097 1.00 0.00 C ATOM 852 NH1 ARG A 51 -3.484 -14.445 4.653 1.00 0.00 N ATOM 853 NH2 ARG A 51 -5.353 -13.210 4.132 1.00 0.00 N ATOM 0 H ARG A 51 -2.885 -8.678 2.201 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.332 -10.480 4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.820 -9.196 3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.882 -10.290 4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.684 -11.006 1.896 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.148 -11.402 2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.519 -13.364 2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.407 -12.697 4.413 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.741 -11.665 3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.473 -14.574 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.072 -15.140 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.778 -12.390 3.699 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.940 -13.906 4.592 1.00 0.00 H new ATOM 867 N PRO A 52 -3.008 -8.738 6.333 1.00 0.00 N ATOM 868 CA PRO A 52 -3.054 -7.692 7.355 1.00 0.00 C ATOM 869 C PRO A 52 -1.688 -7.054 7.587 1.00 0.00 C ATOM 870 O PRO A 52 -0.651 -7.678 7.354 1.00 0.00 O ATOM 871 CB PRO A 52 -3.518 -8.427 8.624 1.00 0.00 C ATOM 872 CG PRO A 52 -3.934 -9.792 8.176 1.00 0.00 C ATOM 873 CD PRO A 52 -3.160 -10.074 6.921 1.00 0.00 C ATOM 0 HA PRO A 52 -3.713 -6.875 7.061 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.714 -8.485 9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.347 -7.902 9.099 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.718 -10.536 8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.007 -9.830 7.989 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.196 -10.535 7.134 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.697 -10.751 6.257 1.00 0.00 H new ATOM 881 N LEU A 53 -1.692 -5.804 8.033 1.00 0.00 N ATOM 882 CA LEU A 53 -0.466 -5.123 8.388 1.00 0.00 C ATOM 883 C LEU A 53 -0.145 -5.388 9.836 1.00 0.00 C ATOM 884 O LEU A 53 -1.045 -5.513 10.667 1.00 0.00 O ATOM 885 CB LEU A 53 -0.578 -3.615 8.166 1.00 0.00 C ATOM 886 CG LEU A 53 -0.248 -3.131 6.760 1.00 0.00 C ATOM 887 CD1 LEU A 53 -0.389 -1.620 6.665 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.155 -3.560 6.360 1.00 0.00 C ATOM 0 H LEU A 53 -2.536 -5.245 8.156 1.00 0.00 H new ATOM 0 HA LEU A 53 0.329 -5.505 7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.594 -3.305 8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.086 -3.112 8.869 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.957 -3.587 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.149 -1.295 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.413 -1.334 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.294 -1.146 7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.371 -3.204 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.878 -3.136 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.223 -4.648 6.383 1.00 0.00 H new ATOM 900 N SER A 54 1.128 -5.472 10.133 1.00 0.00 N ATOM 901 CA SER A 54 1.561 -5.703 11.486 1.00 0.00 C ATOM 902 C SER A 54 1.623 -4.387 12.259 1.00 0.00 C ATOM 903 O SER A 54 1.557 -3.308 11.667 1.00 0.00 O ATOM 904 CB SER A 54 2.905 -6.426 11.473 1.00 0.00 C ATOM 905 OG SER A 54 3.584 -6.201 10.249 1.00 0.00 O ATOM 0 H SER A 54 1.883 -5.383 9.453 1.00 0.00 H new ATOM 0 HA SER A 54 0.841 -6.340 12.000 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.519 -6.078 12.304 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.750 -7.495 11.617 1.00 0.00 H new ATOM 0 HG SER A 54 4.268 -5.511 10.376 1.00 0.00 H new ATOM 911 N GLU A 55 1.753 -4.489 13.572 1.00 0.00 N ATOM 912 CA GLU A 55 1.623 -3.361 14.469 1.00 0.00 C ATOM 913 C GLU A 55 2.605 -2.239 14.164 1.00 0.00 C ATOM 914 O GLU A 55 2.229 -1.066 14.184 1.00 0.00 O ATOM 915 CB GLU A 55 1.817 -3.855 15.892 1.00 0.00 C ATOM 916 CG GLU A 55 0.533 -4.326 16.554 1.00 0.00 C ATOM 917 CD GLU A 55 -0.484 -3.214 16.706 1.00 0.00 C ATOM 918 OE1 GLU A 55 -0.225 -2.278 17.488 1.00 0.00 O ATOM 919 OE2 GLU A 55 -1.552 -3.278 16.063 1.00 0.00 O ATOM 0 H GLU A 55 1.954 -5.369 14.046 1.00 0.00 H new ATOM 0 HA GLU A 55 0.628 -2.937 14.334 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.535 -4.675 15.888 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.251 -3.053 16.490 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.099 -5.133 15.964 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.765 -4.739 17.536 1.00 0.00 H new ATOM 926 N GLU A 56 3.854 -2.587 13.902 1.00 0.00 N ATOM 927 CA GLU A 56 4.861 -1.607 13.588 1.00 0.00 C ATOM 928 C GLU A 56 4.484 -0.847 12.322 1.00 0.00 C ATOM 929 O GLU A 56 4.457 0.377 12.311 1.00 0.00 O ATOM 930 CB GLU A 56 6.203 -2.299 13.422 1.00 0.00 C ATOM 931 CG GLU A 56 7.354 -1.333 13.410 1.00 0.00 C ATOM 932 CD GLU A 56 8.703 -2.015 13.327 1.00 0.00 C ATOM 933 OE1 GLU A 56 9.280 -2.327 14.392 1.00 0.00 O ATOM 934 OE2 GLU A 56 9.189 -2.250 12.200 1.00 0.00 O ATOM 0 H GLU A 56 4.189 -3.550 13.903 1.00 0.00 H new ATOM 0 HA GLU A 56 4.932 -0.887 14.403 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.342 -3.014 14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.202 -2.868 12.492 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.243 -0.656 12.563 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.317 -0.723 14.312 1.00 0.00 H new ATOM 941 N GLU A 57 4.198 -1.590 11.265 1.00 0.00 N ATOM 942 CA GLU A 57 3.705 -1.043 10.019 1.00 0.00 C ATOM 943 C GLU A 57 2.496 -0.137 10.235 1.00 0.00 C ATOM 944 O GLU A 57 2.458 0.989 9.739 1.00 0.00 O ATOM 945 CB GLU A 57 3.336 -2.200 9.108 1.00 0.00 C ATOM 946 CG GLU A 57 4.532 -2.968 8.568 1.00 0.00 C ATOM 947 CD GLU A 57 5.447 -3.547 9.630 1.00 0.00 C ATOM 948 OE1 GLU A 57 4.939 -4.057 10.649 1.00 0.00 O ATOM 949 OE2 GLU A 57 6.680 -3.491 9.450 1.00 0.00 O ATOM 0 H GLU A 57 4.305 -2.604 11.252 1.00 0.00 H new ATOM 0 HA GLU A 57 4.485 -0.430 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.692 -2.889 9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.754 -1.817 8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.170 -3.780 7.938 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.114 -2.304 7.929 1.00 0.00 H new ATOM 956 N LEU A 58 1.509 -0.649 10.959 1.00 0.00 N ATOM 957 CA LEU A 58 0.330 0.127 11.339 1.00 0.00 C ATOM 958 C LEU A 58 0.707 1.450 11.999 1.00 0.00 C ATOM 959 O LEU A 58 0.149 2.499 11.676 1.00 0.00 O ATOM 960 CB LEU A 58 -0.534 -0.685 12.297 1.00 0.00 C ATOM 961 CG LEU A 58 -1.162 -1.937 11.696 1.00 0.00 C ATOM 962 CD1 LEU A 58 -1.927 -2.714 12.754 1.00 0.00 C ATOM 963 CD2 LEU A 58 -2.076 -1.574 10.534 1.00 0.00 C ATOM 0 H LEU A 58 1.501 -1.610 11.300 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.224 0.351 10.427 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.075 -0.977 13.152 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.330 -0.044 12.676 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.361 -2.572 11.317 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.368 -3.604 12.304 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.246 -3.010 13.552 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.717 -2.086 13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.514 -2.481 10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.870 -0.916 10.887 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.499 -1.064 9.763 1.00 0.00 H new ATOM 975 N LYS A 59 1.635 1.385 12.938 1.00 0.00 N ATOM 976 CA LYS A 59 2.084 2.558 13.671 1.00 0.00 C ATOM 977 C LYS A 59 2.900 3.499 12.784 1.00 0.00 C ATOM 978 O LYS A 59 2.856 4.724 12.939 1.00 0.00 O ATOM 979 CB LYS A 59 2.919 2.095 14.861 1.00 0.00 C ATOM 980 CG LYS A 59 2.677 2.881 16.132 1.00 0.00 C ATOM 981 CD LYS A 59 3.198 4.304 16.033 1.00 0.00 C ATOM 982 CE LYS A 59 2.864 5.113 17.275 1.00 0.00 C ATOM 983 NZ LYS A 59 3.336 6.518 17.158 1.00 0.00 N ATOM 0 H LYS A 59 2.098 0.519 13.214 1.00 0.00 H new ATOM 0 HA LYS A 59 1.213 3.116 14.014 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.707 1.043 15.052 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.975 2.165 14.599 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.609 2.901 16.347 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.161 2.376 16.968 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.278 4.287 15.890 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.768 4.789 15.157 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.786 5.103 17.437 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.322 4.647 18.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.091 7.040 18.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.368 6.528 17.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.880 6.970 16.340 1.00 0.00 H new