USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 719 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 14 LYS NZ :NH3+ 174:sc= -0.0106 (180deg=-0.0545) USER MOD Single : A 16 MET CE :methyl -131:sc= -0.398 (180deg=-3.19!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.135 K(o=-0.13,f=-4.4!) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.324) USER MOD Single : A 34 GLN : amide:sc= -1.69 K(o=-1.7,f=-4.7!) USER MOD Single : A 36 HIS : no HD1:sc= -0.0795 X(o=-0.08,f=-0.55) USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= 0.199 (180deg=-0.282) USER MOD Single : A 45 TYR OH : rot -37:sc= 0.00133 USER MOD Single : A 47 LYS NZ :NH3+ -145:sc= -0.1 (180deg=-1.18) USER MOD Single : A 48 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.11) USER MOD Single : A 53 SER OG : rot -154:sc= 1.22 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 0.0229 (180deg=0.0165) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.118) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.068) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N LEU A 13 -6.470 -18.295 -1.253 1.00 0.00 N ATOM 228 CA LEU A 13 -6.375 -16.845 -1.153 1.00 0.00 C ATOM 229 C LEU A 13 -5.842 -16.220 -2.444 1.00 0.00 C ATOM 230 O LEU A 13 -4.954 -16.783 -3.083 1.00 0.00 O ATOM 231 CB LEU A 13 -5.554 -16.473 0.088 1.00 0.00 C ATOM 232 CG LEU A 13 -4.044 -16.739 -0.017 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.300 -15.462 -0.438 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.511 -17.176 1.349 1.00 0.00 C ATOM 0 HA LEU A 13 -7.373 -16.425 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.706 -15.414 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.945 -17.027 0.941 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.881 -17.518 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.232 -15.669 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.669 -15.129 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.471 -14.681 0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.440 -17.366 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.692 -16.388 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.020 -18.087 1.664 1.00 0.00 H new ATOM 246 N LYS A 14 -6.415 -15.073 -2.833 1.00 0.00 N ATOM 247 CA LYS A 14 -6.161 -14.421 -4.116 1.00 0.00 C ATOM 248 C LYS A 14 -5.623 -13.001 -3.933 1.00 0.00 C ATOM 249 O LYS A 14 -5.471 -12.543 -2.800 1.00 0.00 O ATOM 250 CB LYS A 14 -7.437 -14.473 -4.968 1.00 0.00 C ATOM 251 CG LYS A 14 -8.637 -13.721 -4.384 1.00 0.00 C ATOM 252 CD LYS A 14 -8.504 -12.198 -4.440 1.00 0.00 C ATOM 253 CE LYS A 14 -9.843 -11.522 -4.166 1.00 0.00 C ATOM 254 NZ LYS A 14 -9.712 -10.096 -4.402 1.00 0.00 N ATOM 0 H LYS A 14 -7.081 -14.566 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.376 -14.960 -4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.215 -14.063 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.717 -15.516 -5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.536 -14.017 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.774 -14.026 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.769 -11.866 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.135 -11.897 -5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.615 -11.941 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.154 -11.706 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.644 -9.643 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.062 -9.686 -3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.336 -9.935 -5.358 1.00 0.00 H new ATOM 267 N ARG A 15 -5.365 -12.303 -5.050 1.00 0.00 N ATOM 268 CA ARG A 15 -4.899 -10.917 -5.041 1.00 0.00 C ATOM 269 C ARG A 15 -5.986 -9.927 -5.462 1.00 0.00 C ATOM 270 O ARG A 15 -6.600 -10.061 -6.521 1.00 0.00 O ATOM 271 CB ARG A 15 -3.601 -10.727 -5.842 1.00 0.00 C ATOM 272 CG ARG A 15 -3.729 -10.768 -7.367 1.00 0.00 C ATOM 273 CD ARG A 15 -2.350 -10.517 -7.995 1.00 0.00 C ATOM 274 NE ARG A 15 -2.238 -11.135 -9.321 1.00 0.00 N ATOM 275 CZ ARG A 15 -1.245 -10.916 -10.197 1.00 0.00 C ATOM 276 NH1 ARG A 15 -0.299 -9.999 -9.947 1.00 0.00 N ATOM 277 NH2 ARG A 15 -1.201 -11.631 -11.329 1.00 0.00 N ATOM 0 H ARG A 15 -5.476 -12.691 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.660 -10.688 -4.003 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.164 -9.769 -5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.896 -11.500 -5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.117 -11.736 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.439 -10.013 -7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.177 -9.444 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.574 -10.915 -7.341 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.974 -11.784 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.329 -9.458 -9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.450 -9.842 -10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.917 -12.333 -11.517 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.451 -11.474 -12.003 1.00 0.00 H new ATOM 291 N MET A 16 -6.154 -8.876 -4.658 1.00 0.00 N ATOM 292 CA MET A 16 -6.701 -7.617 -5.125 1.00 0.00 C ATOM 293 C MET A 16 -5.679 -6.973 -6.054 1.00 0.00 C ATOM 294 O MET A 16 -4.483 -7.249 -5.978 1.00 0.00 O ATOM 295 CB MET A 16 -7.035 -6.717 -3.935 1.00 0.00 C ATOM 296 CG MET A 16 -7.702 -5.389 -4.319 1.00 0.00 C ATOM 297 SD MET A 16 -8.062 -4.305 -2.920 1.00 0.00 S ATOM 298 CE MET A 16 -6.392 -3.752 -2.521 1.00 0.00 C ATOM 0 H MET A 16 -5.913 -8.881 -3.667 1.00 0.00 H new ATOM 0 HA MET A 16 -7.629 -7.777 -5.674 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.694 -7.259 -3.257 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.118 -6.505 -3.386 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.054 -4.859 -5.017 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.632 -5.602 -4.847 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.217 -3.865 -1.451 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.668 -4.353 -3.072 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.280 -2.704 -2.798 1.00 0.00 H new ATOM 308 N TYR A 17 -6.177 -6.098 -6.921 1.00 0.00 N ATOM 309 CA TYR A 17 -5.382 -5.173 -7.703 1.00 0.00 C ATOM 310 C TYR A 17 -6.173 -3.874 -7.794 1.00 0.00 C ATOM 311 O TYR A 17 -6.933 -3.663 -8.736 1.00 0.00 O ATOM 312 CB TYR A 17 -5.034 -5.781 -9.071 1.00 0.00 C ATOM 313 CG TYR A 17 -4.510 -4.802 -10.110 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.780 -3.661 -9.722 1.00 0.00 C ATOM 315 CD2 TYR A 17 -4.917 -4.941 -11.451 1.00 0.00 C ATOM 316 CE1 TYR A 17 -3.564 -2.619 -10.638 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.653 -3.921 -12.380 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.994 -2.749 -11.968 1.00 0.00 C ATOM 319 OH TYR A 17 -3.775 -1.735 -12.853 1.00 0.00 O ATOM 0 H TYR A 17 -7.178 -6.015 -7.101 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.420 -4.966 -7.234 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.287 -6.561 -8.923 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.925 -6.265 -9.471 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.386 -3.588 -8.719 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.434 -5.835 -11.766 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.066 -1.715 -10.319 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.956 -4.037 -13.410 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.132 -1.984 -13.731 1.00 0.00 H new ATOM 329 N ALA A 18 -5.982 -3.010 -6.792 1.00 0.00 N ATOM 330 CA ALA A 18 -6.612 -1.711 -6.731 1.00 0.00 C ATOM 331 C ALA A 18 -5.688 -0.663 -7.319 1.00 0.00 C ATOM 332 O ALA A 18 -4.701 -0.274 -6.698 1.00 0.00 O ATOM 333 CB ALA A 18 -6.985 -1.366 -5.303 1.00 0.00 C ATOM 0 H ALA A 18 -5.375 -3.207 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.530 -1.734 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.458 -0.384 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.679 -2.113 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.087 -1.352 -4.686 1.00 0.00 H new ATOM 339 N ARG A 19 -6.043 -0.193 -8.510 1.00 0.00 N ATOM 340 CA ARG A 19 -5.390 0.933 -9.143 1.00 0.00 C ATOM 341 C ARG A 19 -6.068 2.196 -8.620 1.00 0.00 C ATOM 342 O ARG A 19 -7.192 2.503 -9.020 1.00 0.00 O ATOM 343 CB ARG A 19 -5.483 0.807 -10.670 1.00 0.00 C ATOM 344 CG ARG A 19 -4.607 1.841 -11.382 1.00 0.00 C ATOM 345 CD ARG A 19 -3.114 1.576 -11.169 1.00 0.00 C ATOM 346 NE ARG A 19 -2.322 2.572 -11.894 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.134 2.394 -12.492 1.00 0.00 C ATOM 348 NH1 ARG A 19 -0.556 1.186 -12.557 1.00 0.00 N ATOM 349 NH2 ARG A 19 -0.521 3.452 -13.038 1.00 0.00 N ATOM 0 H ARG A 19 -6.801 -0.592 -9.064 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.327 0.969 -8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.179 -0.196 -10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.520 0.933 -10.982 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.828 1.829 -12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.854 2.838 -11.016 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.877 1.614 -10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.860 0.574 -11.516 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.719 3.510 -11.951 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.020 0.376 -12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.348 1.077 -13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.958 4.373 -12.995 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.383 3.337 -13.497 1.00 0.00 H new ATOM 363 N VAL A 20 -5.412 2.886 -7.683 1.00 0.00 N ATOM 364 CA VAL A 20 -6.013 3.999 -6.949 1.00 0.00 C ATOM 365 C VAL A 20 -5.623 5.332 -7.588 1.00 0.00 C ATOM 366 O VAL A 20 -4.437 5.644 -7.690 1.00 0.00 O ATOM 367 CB VAL A 20 -5.624 3.963 -5.465 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.497 4.945 -4.676 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.772 2.560 -4.862 1.00 0.00 C ATOM 0 H VAL A 20 -4.449 2.687 -7.413 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.097 3.896 -7.005 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.574 4.249 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.217 4.916 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.351 5.954 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.545 4.665 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.486 2.584 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.809 2.234 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.127 1.864 -5.398 1.00 0.00 H new ATOM 379 N TYR A 21 -6.628 6.113 -8.001 1.00 0.00 N ATOM 380 CA TYR A 21 -6.459 7.376 -8.714 1.00 0.00 C ATOM 381 C TYR A 21 -6.698 8.571 -7.794 1.00 0.00 C ATOM 382 O TYR A 21 -7.466 8.474 -6.840 1.00 0.00 O ATOM 383 CB TYR A 21 -7.427 7.435 -9.905 1.00 0.00 C ATOM 384 CG TYR A 21 -7.149 6.405 -10.983 1.00 0.00 C ATOM 385 CD1 TYR A 21 -7.605 5.083 -10.837 1.00 0.00 C ATOM 386 CD2 TYR A 21 -6.422 6.765 -12.132 1.00 0.00 C ATOM 387 CE1 TYR A 21 -7.320 4.121 -11.819 1.00 0.00 C ATOM 388 CE2 TYR A 21 -6.145 5.805 -13.120 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.592 4.482 -12.964 1.00 0.00 C ATOM 390 OH TYR A 21 -6.316 3.551 -13.923 1.00 0.00 O ATOM 0 H TYR A 21 -7.607 5.874 -7.842 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.431 7.426 -9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.444 7.296 -9.539 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.380 8.430 -10.348 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.178 4.806 -9.964 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -6.076 7.781 -12.255 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.661 3.104 -11.694 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.587 6.085 -14.001 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.805 3.969 -14.647 1.00 0.00 H new ATOM 400 N GLY A 22 -6.063 9.704 -8.124 1.00 0.00 N ATOM 401 CA GLY A 22 -6.259 10.997 -7.488 1.00 0.00 C ATOM 402 C GLY A 22 -4.941 11.539 -6.954 1.00 0.00 C ATOM 403 O GLY A 22 -3.868 11.137 -7.407 1.00 0.00 O ATOM 0 H GLY A 22 -5.372 9.737 -8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.683 11.700 -8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.976 10.902 -6.672 1.00 0.00 H new ATOM 407 N LEU A 23 -5.022 12.415 -5.945 1.00 0.00 N ATOM 408 CA LEU A 23 -3.858 12.966 -5.261 1.00 0.00 C ATOM 409 C LEU A 23 -3.279 11.972 -4.241 1.00 0.00 C ATOM 410 O LEU A 23 -2.490 12.352 -3.382 1.00 0.00 O ATOM 411 CB LEU A 23 -4.246 14.310 -4.632 1.00 0.00 C ATOM 412 CG LEU A 23 -3.064 15.250 -4.337 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.472 15.846 -5.621 1.00 0.00 C ATOM 414 CD2 LEU A 23 -3.544 16.384 -3.423 1.00 0.00 C ATOM 0 H LEU A 23 -5.910 12.761 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.057 13.142 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.940 14.821 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.781 14.119 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.281 14.668 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.640 16.503 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.116 15.042 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.239 16.417 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.712 17.055 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.340 16.939 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.921 15.965 -2.490 1.00 0.00 H new ATOM 426 N VAL A 24 -3.645 10.690 -4.347 1.00 0.00 N ATOM 427 CA VAL A 24 -3.058 9.608 -3.564 1.00 0.00 C ATOM 428 C VAL A 24 -1.564 9.432 -3.875 1.00 0.00 C ATOM 429 O VAL A 24 -0.833 8.882 -3.054 1.00 0.00 O ATOM 430 CB VAL A 24 -3.849 8.305 -3.769 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.269 8.441 -3.208 1.00 0.00 C ATOM 432 CG2 VAL A 24 -3.919 7.890 -5.243 1.00 0.00 C ATOM 0 H VAL A 24 -4.370 10.375 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.126 9.874 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.313 7.526 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.812 7.509 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.219 8.659 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.787 9.252 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.488 6.965 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.409 8.675 -5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.910 7.735 -5.626 1.00 0.00 H new ATOM 442 N GLN A 25 -1.105 9.925 -5.034 1.00 0.00 N ATOM 443 CA GLN A 25 0.310 10.069 -5.338 1.00 0.00 C ATOM 444 C GLN A 25 0.898 11.201 -4.490 1.00 0.00 C ATOM 445 O GLN A 25 0.269 12.245 -4.325 1.00 0.00 O ATOM 446 CB GLN A 25 0.502 10.354 -6.835 1.00 0.00 C ATOM 447 CG GLN A 25 1.354 9.263 -7.490 1.00 0.00 C ATOM 448 CD GLN A 25 0.644 7.916 -7.618 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.449 7.710 -7.095 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.275 6.991 -8.339 1.00 0.00 N ATOM 0 H GLN A 25 -1.718 10.235 -5.788 1.00 0.00 H new ATOM 0 HA GLN A 25 0.831 9.142 -5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.469 10.408 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.981 11.324 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.657 9.599 -8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.265 9.128 -6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.181 7.201 -8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.852 6.073 -8.473 1.00 0.00 H new ATOM 459 N GLY A 26 2.109 10.995 -3.957 1.00 0.00 N ATOM 460 CA GLY A 26 2.799 11.977 -3.135 1.00 0.00 C ATOM 461 C GLY A 26 2.292 11.939 -1.693 1.00 0.00 C ATOM 462 O GLY A 26 3.046 11.595 -0.783 1.00 0.00 O ATOM 0 H GLY A 26 2.636 10.132 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.871 11.782 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.650 12.974 -3.551 1.00 0.00 H new ATOM 466 N VAL A 27 1.011 12.275 -1.493 1.00 0.00 N ATOM 467 CA VAL A 27 0.330 12.196 -0.203 1.00 0.00 C ATOM 468 C VAL A 27 0.299 10.731 0.248 1.00 0.00 C ATOM 469 O VAL A 27 0.445 9.835 -0.582 1.00 0.00 O ATOM 470 CB VAL A 27 -1.088 12.790 -0.323 1.00 0.00 C ATOM 471 CG1 VAL A 27 -1.813 12.853 1.030 1.00 0.00 C ATOM 472 CG2 VAL A 27 -1.057 14.210 -0.907 1.00 0.00 C ATOM 0 H VAL A 27 0.410 12.616 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 27 0.864 12.778 0.548 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.628 12.119 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.807 13.279 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.903 11.848 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.244 13.477 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.074 14.597 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.466 14.857 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.609 14.185 -1.900 1.00 0.00 H new ATOM 482 N GLY A 28 0.149 10.489 1.558 1.00 0.00 N ATOM 483 CA GLY A 28 0.213 9.166 2.166 1.00 0.00 C ATOM 484 C GLY A 28 -0.786 8.183 1.550 1.00 0.00 C ATOM 485 O GLY A 28 -0.465 7.572 0.534 1.00 0.00 O ATOM 0 H GLY A 28 -0.024 11.232 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.222 8.769 2.056 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.019 9.252 3.235 1.00 0.00 H new ATOM 489 N PHE A 29 -1.962 8.021 2.181 1.00 0.00 N ATOM 490 CA PHE A 29 -3.062 7.131 1.799 1.00 0.00 C ATOM 491 C PHE A 29 -2.675 5.645 1.850 1.00 0.00 C ATOM 492 O PHE A 29 -3.245 4.884 2.628 1.00 0.00 O ATOM 493 CB PHE A 29 -3.653 7.566 0.452 1.00 0.00 C ATOM 494 CG PHE A 29 -4.814 6.709 -0.009 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.563 5.502 -0.689 1.00 0.00 C ATOM 496 CD2 PHE A 29 -6.139 7.087 0.277 1.00 0.00 C ATOM 497 CE1 PHE A 29 -5.628 4.668 -1.059 1.00 0.00 C ATOM 498 CE2 PHE A 29 -7.208 6.284 -0.160 1.00 0.00 C ATOM 499 CZ PHE A 29 -6.951 5.080 -0.837 1.00 0.00 C ATOM 0 H PHE A 29 -2.180 8.546 3.028 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.850 7.229 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.985 8.601 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.869 7.538 -0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.548 5.218 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.335 7.993 0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.430 3.709 -1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.226 6.593 0.025 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.772 4.471 -1.187 1.00 0.00 H new ATOM 509 N ARG A 30 -1.696 5.251 1.029 1.00 0.00 N ATOM 510 CA ARG A 30 -0.958 3.998 1.038 1.00 0.00 C ATOM 511 C ARG A 30 -0.761 3.434 2.446 1.00 0.00 C ATOM 512 O ARG A 30 -0.924 2.235 2.654 1.00 0.00 O ATOM 513 CB ARG A 30 0.427 4.266 0.437 1.00 0.00 C ATOM 514 CG ARG A 30 0.380 4.629 -1.051 1.00 0.00 C ATOM 515 CD ARG A 30 1.726 5.210 -1.493 1.00 0.00 C ATOM 516 NE ARG A 30 1.900 6.596 -1.029 1.00 0.00 N ATOM 517 CZ ARG A 30 3.053 7.289 -1.072 1.00 0.00 C ATOM 518 NH1 ARG A 30 4.202 6.698 -1.432 1.00 0.00 N ATOM 519 NH2 ARG A 30 3.054 8.589 -0.753 1.00 0.00 N ATOM 0 H ARG A 30 -1.377 5.861 0.276 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.532 3.268 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.904 5.077 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.050 3.382 0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.145 3.744 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.415 5.353 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.535 4.592 -1.103 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.796 5.179 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 30 1.082 7.069 -0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.211 5.708 -1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.067 7.238 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.185 9.048 -0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.924 9.121 -0.783 1.00 0.00 H new ATOM 533 N LYS A 31 -0.386 4.295 3.398 1.00 0.00 N ATOM 534 CA LYS A 31 -0.082 3.896 4.761 1.00 0.00 C ATOM 535 C LYS A 31 -1.369 3.453 5.475 1.00 0.00 C ATOM 536 O LYS A 31 -1.377 2.410 6.119 1.00 0.00 O ATOM 537 CB LYS A 31 0.640 5.039 5.493 1.00 0.00 C ATOM 538 CG LYS A 31 1.786 4.556 6.392 1.00 0.00 C ATOM 539 CD LYS A 31 1.310 3.714 7.581 1.00 0.00 C ATOM 540 CE LYS A 31 2.493 3.371 8.494 1.00 0.00 C ATOM 541 NZ LYS A 31 2.036 2.583 9.621 1.00 0.00 N ATOM 0 H LYS A 31 -0.286 5.297 3.234 1.00 0.00 H new ATOM 0 HA LYS A 31 0.594 3.041 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.035 5.740 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.082 5.586 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.483 3.968 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.335 5.421 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.554 4.261 8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.840 2.798 7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.247 2.817 7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.967 4.286 8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.853 2.143 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.538 3.198 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.389 1.841 9.286 1.00 0.00 H new ATOM 554 N PHE A 32 -2.465 4.217 5.350 1.00 0.00 N ATOM 555 CA PHE A 32 -3.766 3.862 5.922 1.00 0.00 C ATOM 556 C PHE A 32 -4.226 2.484 5.425 1.00 0.00 C ATOM 557 O PHE A 32 -4.648 1.639 6.213 1.00 0.00 O ATOM 558 CB PHE A 32 -4.802 4.945 5.567 1.00 0.00 C ATOM 559 CG PHE A 32 -6.182 4.854 6.218 1.00 0.00 C ATOM 560 CD1 PHE A 32 -6.458 3.964 7.280 1.00 0.00 C ATOM 561 CD2 PHE A 32 -7.211 5.695 5.751 1.00 0.00 C ATOM 562 CE1 PHE A 32 -7.743 3.900 7.845 1.00 0.00 C ATOM 563 CE2 PHE A 32 -8.495 5.633 6.321 1.00 0.00 C ATOM 564 CZ PHE A 32 -8.758 4.748 7.379 1.00 0.00 C ATOM 0 H PHE A 32 -2.470 5.103 4.845 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.669 3.807 7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.374 5.914 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.941 4.934 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.674 3.327 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.013 6.392 4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.949 3.197 8.639 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.282 6.269 5.943 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.738 4.721 7.832 1.00 0.00 H new ATOM 574 N VAL A 33 -4.110 2.250 4.111 1.00 0.00 N ATOM 575 CA VAL A 33 -4.356 0.940 3.513 1.00 0.00 C ATOM 576 C VAL A 33 -3.467 -0.122 4.165 1.00 0.00 C ATOM 577 O VAL A 33 -3.912 -1.247 4.396 1.00 0.00 O ATOM 578 CB VAL A 33 -4.156 0.993 1.986 1.00 0.00 C ATOM 579 CG1 VAL A 33 -4.428 -0.376 1.351 1.00 0.00 C ATOM 580 CG2 VAL A 33 -5.077 2.021 1.318 1.00 0.00 C ATOM 0 H VAL A 33 -3.843 2.967 3.436 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.393 0.660 3.697 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.119 1.286 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.280 -0.313 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.743 -1.113 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.455 -0.676 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.901 2.023 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.117 1.760 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.869 3.012 1.721 1.00 0.00 H new ATOM 590 N GLN A 34 -2.227 0.255 4.492 1.00 0.00 N ATOM 591 CA GLN A 34 -1.269 -0.618 5.140 1.00 0.00 C ATOM 592 C GLN A 34 -1.718 -1.032 6.540 1.00 0.00 C ATOM 593 O GLN A 34 -1.703 -2.223 6.819 1.00 0.00 O ATOM 594 CB GLN A 34 0.141 0.002 5.122 1.00 0.00 C ATOM 595 CG GLN A 34 1.229 -1.047 4.887 1.00 0.00 C ATOM 596 CD GLN A 34 0.957 -1.819 3.600 1.00 0.00 C ATOM 597 OE1 GLN A 34 0.637 -3.001 3.636 1.00 0.00 O ATOM 598 NE2 GLN A 34 1.014 -1.132 2.462 1.00 0.00 N ATOM 0 H GLN A 34 -1.865 1.190 4.307 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.219 -1.542 4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.193 0.759 4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.326 0.509 6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.203 -0.562 4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.266 -1.736 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.285 -0.149 2.473 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.787 -1.589 1.579 1.00 0.00 H new ATOM 607 N ILE A 35 -2.123 -0.096 7.411 1.00 0.00 N ATOM 608 CA ILE A 35 -2.554 -0.416 8.776 1.00 0.00 C ATOM 609 C ILE A 35 -3.500 -1.613 8.798 1.00 0.00 C ATOM 610 O ILE A 35 -3.224 -2.590 9.488 1.00 0.00 O ATOM 611 CB ILE A 35 -3.250 0.797 9.435 1.00 0.00 C ATOM 612 CG1 ILE A 35 -2.346 2.034 9.579 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.846 0.415 10.803 1.00 0.00 C ATOM 614 CD1 ILE A 35 -1.142 1.825 10.500 1.00 0.00 C ATOM 0 H ILE A 35 -2.160 0.899 7.189 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.657 -0.668 9.342 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.051 1.079 8.751 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.988 2.326 8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.942 2.863 9.960 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.330 1.286 11.245 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.580 -0.380 10.671 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.050 0.068 11.462 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.556 2.743 10.547 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.490 1.564 11.500 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.521 1.018 10.110 1.00 0.00 H new ATOM 626 N HIS A 36 -4.605 -1.540 8.048 1.00 0.00 N ATOM 627 CA HIS A 36 -5.612 -2.589 8.042 1.00 0.00 C ATOM 628 C HIS A 36 -5.014 -3.880 7.478 1.00 0.00 C ATOM 629 O HIS A 36 -5.148 -4.936 8.091 1.00 0.00 O ATOM 630 CB HIS A 36 -6.860 -2.132 7.279 1.00 0.00 C ATOM 631 CG HIS A 36 -7.773 -1.239 8.089 1.00 0.00 C ATOM 632 ND1 HIS A 36 -9.133 -1.529 8.210 1.00 0.00 N ATOM 633 CD2 HIS A 36 -7.503 -0.106 8.816 1.00 0.00 C ATOM 634 CE1 HIS A 36 -9.629 -0.563 8.986 1.00 0.00 C ATOM 635 NE2 HIS A 36 -8.692 0.315 9.378 1.00 0.00 N ATOM 0 H HIS A 36 -4.819 -0.754 7.434 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.930 -2.798 9.063 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.551 -1.600 6.379 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.419 -3.010 6.955 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.539 0.368 8.928 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.669 -0.495 9.268 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.831 1.132 9.973 1.00 0.00 H new ATOM 643 N ALA A 37 -4.328 -3.797 6.334 1.00 0.00 N ATOM 644 CA ALA A 37 -3.691 -4.944 5.704 1.00 0.00 C ATOM 645 C ALA A 37 -2.784 -5.724 6.658 1.00 0.00 C ATOM 646 O ALA A 37 -2.901 -6.940 6.791 1.00 0.00 O ATOM 647 CB ALA A 37 -2.889 -4.452 4.499 1.00 0.00 C ATOM 0 H ALA A 37 -4.202 -2.925 5.821 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.475 -5.636 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.404 -5.299 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.559 -3.963 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.132 -3.742 4.831 1.00 0.00 H new ATOM 653 N ILE A 38 -1.885 -5.005 7.329 1.00 0.00 N ATOM 654 CA ILE A 38 -0.944 -5.531 8.302 1.00 0.00 C ATOM 655 C ILE A 38 -1.716 -6.126 9.480 1.00 0.00 C ATOM 656 O ILE A 38 -1.421 -7.246 9.894 1.00 0.00 O ATOM 657 CB ILE A 38 0.057 -4.416 8.676 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.279 -4.461 7.740 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.529 -4.454 10.133 1.00 0.00 C ATOM 660 CD1 ILE A 38 0.912 -4.458 6.252 1.00 0.00 C ATOM 0 H ILE A 38 -1.793 -3.997 7.200 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.349 -6.350 7.898 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.490 -3.481 8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.919 -3.604 7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.862 -5.355 7.960 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.229 -3.637 10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.329 -4.347 10.796 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.024 -5.405 10.331 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.822 -4.491 5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.298 -5.330 6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.355 -3.551 6.016 1.00 0.00 H new ATOM 672 N ARG A 39 -2.728 -5.407 9.981 1.00 0.00 N ATOM 673 CA ARG A 39 -3.557 -5.852 11.092 1.00 0.00 C ATOM 674 C ARG A 39 -4.174 -7.221 10.798 1.00 0.00 C ATOM 675 O ARG A 39 -4.272 -8.067 11.684 1.00 0.00 O ATOM 676 CB ARG A 39 -4.612 -4.767 11.359 1.00 0.00 C ATOM 677 CG ARG A 39 -5.296 -4.895 12.719 1.00 0.00 C ATOM 678 CD ARG A 39 -6.608 -5.678 12.648 1.00 0.00 C ATOM 679 NE ARG A 39 -7.189 -5.829 13.989 1.00 0.00 N ATOM 680 CZ ARG A 39 -8.160 -6.696 14.323 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.723 -7.486 13.398 1.00 0.00 N ATOM 682 NH2 ARG A 39 -8.567 -6.770 15.597 1.00 0.00 N ATOM 0 H ARG A 39 -2.992 -4.491 9.618 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.958 -5.987 11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.138 -3.788 11.292 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.369 -4.809 10.576 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.620 -5.390 13.416 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.493 -3.900 13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.312 -5.161 11.996 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.429 -6.660 12.210 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.825 -5.226 14.727 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.415 -7.434 12.427 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.459 -8.140 13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.141 -6.171 16.304 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.303 -7.425 15.860 1.00 0.00 H new ATOM 696 N LEU A 40 -4.575 -7.419 9.539 1.00 0.00 N ATOM 697 CA LEU A 40 -5.263 -8.606 9.053 1.00 0.00 C ATOM 698 C LEU A 40 -4.312 -9.652 8.452 1.00 0.00 C ATOM 699 O LEU A 40 -4.783 -10.679 7.969 1.00 0.00 O ATOM 700 CB LEU A 40 -6.313 -8.161 8.034 1.00 0.00 C ATOM 701 CG LEU A 40 -7.353 -7.220 8.667 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.082 -6.483 7.549 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.356 -7.981 9.543 1.00 0.00 C ATOM 0 H LEU A 40 -4.421 -6.726 8.806 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.737 -9.104 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.822 -7.655 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.816 -9.036 7.623 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.836 -6.513 9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.824 -5.811 7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.365 -5.906 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.579 -7.205 6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.072 -7.279 9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.886 -8.715 8.936 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.824 -8.491 10.346 1.00 0.00 H new ATOM 715 N GLY A 41 -2.992 -9.419 8.480 1.00 0.00 N ATOM 716 CA GLY A 41 -2.001 -10.360 7.977 1.00 0.00 C ATOM 717 C GLY A 41 -2.131 -10.564 6.467 1.00 0.00 C ATOM 718 O GLY A 41 -2.410 -11.674 6.013 1.00 0.00 O ATOM 0 H GLY A 41 -2.586 -8.562 8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.001 -9.995 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.117 -11.317 8.485 1.00 0.00 H new ATOM 722 N ILE A 42 -1.928 -9.486 5.702 1.00 0.00 N ATOM 723 CA ILE A 42 -2.061 -9.440 4.252 1.00 0.00 C ATOM 724 C ILE A 42 -0.695 -9.111 3.647 1.00 0.00 C ATOM 725 O ILE A 42 0.071 -8.336 4.220 1.00 0.00 O ATOM 726 CB ILE A 42 -3.117 -8.383 3.886 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.498 -8.694 4.478 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.271 -8.132 2.387 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.182 -9.937 3.905 1.00 0.00 C ATOM 0 H ILE A 42 -1.655 -8.587 6.099 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.389 -10.400 3.853 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.722 -7.472 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.395 -8.819 5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.148 -7.834 4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.036 -7.373 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.322 -7.786 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.565 -9.057 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.151 -10.073 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.324 -9.812 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.559 -10.812 4.089 1.00 0.00 H new ATOM 741 N LYS A 43 -0.404 -9.713 2.488 1.00 0.00 N ATOM 742 CA LYS A 43 0.827 -9.506 1.727 1.00 0.00 C ATOM 743 C LYS A 43 0.537 -8.564 0.554 1.00 0.00 C ATOM 744 O LYS A 43 -0.625 -8.289 0.273 1.00 0.00 O ATOM 745 CB LYS A 43 1.363 -10.843 1.212 1.00 0.00 C ATOM 746 CG LYS A 43 1.444 -11.895 2.324 1.00 0.00 C ATOM 747 CD LYS A 43 2.157 -13.165 1.837 1.00 0.00 C ATOM 748 CE LYS A 43 3.151 -13.688 2.882 1.00 0.00 C ATOM 749 NZ LYS A 43 4.268 -12.770 3.022 1.00 0.00 N ATOM 0 H LYS A 43 -1.039 -10.376 2.043 1.00 0.00 H new ATOM 0 HA LYS A 43 1.583 -9.061 2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.718 -11.209 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.353 -10.695 0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.976 -11.482 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.439 -12.147 2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.419 -13.936 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.684 -12.954 0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.649 -13.809 3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.515 -14.672 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.125 -13.302 3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.422 -12.271 2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.057 -12.078 3.770 1.00 0.00 H new ATOM 762 N GLY A 44 1.564 -8.079 -0.154 1.00 0.00 N ATOM 763 CA GLY A 44 1.354 -7.277 -1.356 1.00 0.00 C ATOM 764 C GLY A 44 2.460 -6.253 -1.569 1.00 0.00 C ATOM 765 O GLY A 44 3.620 -6.524 -1.269 1.00 0.00 O ATOM 0 H GLY A 44 2.544 -8.229 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.299 -7.935 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.395 -6.763 -1.284 1.00 0.00 H new ATOM 769 N TYR A 45 2.082 -5.070 -2.075 1.00 0.00 N ATOM 770 CA TYR A 45 2.941 -3.894 -2.161 1.00 0.00 C ATOM 771 C TYR A 45 2.113 -2.710 -2.657 1.00 0.00 C ATOM 772 O TYR A 45 1.242 -2.882 -3.509 1.00 0.00 O ATOM 773 CB TYR A 45 4.153 -4.115 -3.075 1.00 0.00 C ATOM 774 CG TYR A 45 5.450 -3.511 -2.575 1.00 0.00 C ATOM 775 CD1 TYR A 45 6.265 -4.240 -1.688 1.00 0.00 C ATOM 776 CD2 TYR A 45 5.875 -2.251 -3.035 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.489 -3.706 -1.252 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.107 -1.726 -2.605 1.00 0.00 C ATOM 779 CZ TYR A 45 7.890 -2.429 -1.676 1.00 0.00 C ATOM 780 OH TYR A 45 9.037 -1.870 -1.191 1.00 0.00 O ATOM 0 H TYR A 45 1.145 -4.907 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 45 3.335 -3.692 -1.165 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.297 -5.187 -3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.930 -3.697 -4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.948 -5.213 -1.342 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.256 -1.688 -3.717 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.122 -4.278 -0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.452 -0.778 -2.991 1.00 0.00 H new ATOM 0 HH TYR A 45 9.143 -2.108 -0.246 1.00 0.00 H new ATOM 790 N ALA A 46 2.388 -1.517 -2.120 1.00 0.00 N ATOM 791 CA ALA A 46 1.687 -0.285 -2.474 1.00 0.00 C ATOM 792 C ALA A 46 2.565 0.518 -3.426 1.00 0.00 C ATOM 793 O ALA A 46 3.263 1.447 -3.016 1.00 0.00 O ATOM 794 CB ALA A 46 1.305 0.499 -1.211 1.00 0.00 C ATOM 0 H ALA A 46 3.115 -1.381 -1.417 1.00 0.00 H new ATOM 0 HA ALA A 46 0.751 -0.511 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.784 1.413 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.653 -0.112 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.207 0.753 -0.654 1.00 0.00 H new ATOM 800 N LYS A 47 2.557 0.107 -4.697 1.00 0.00 N ATOM 801 CA LYS A 47 3.538 0.509 -5.681 1.00 0.00 C ATOM 802 C LYS A 47 3.054 1.721 -6.462 1.00 0.00 C ATOM 803 O LYS A 47 2.297 1.605 -7.426 1.00 0.00 O ATOM 804 CB LYS A 47 3.907 -0.678 -6.566 1.00 0.00 C ATOM 805 CG LYS A 47 4.922 -0.284 -7.645 1.00 0.00 C ATOM 806 CD LYS A 47 5.648 -1.484 -8.267 1.00 0.00 C ATOM 807 CE LYS A 47 4.734 -2.432 -9.054 1.00 0.00 C ATOM 808 NZ LYS A 47 4.067 -3.373 -8.172 1.00 0.00 N ATOM 0 H LYS A 47 1.850 -0.527 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 47 4.453 0.823 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.321 -1.477 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.008 -1.074 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.408 0.268 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.659 0.392 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.430 -1.117 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.141 -2.047 -7.474 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.990 -1.853 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.321 -2.977 -9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.965 -4.289 -8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.631 -3.498 -7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.126 -3.007 -7.921 1.00 0.00 H new ATOM 821 N ASN A 48 3.506 2.891 -6.007 1.00 0.00 N ATOM 822 CA ASN A 48 3.198 4.187 -6.542 1.00 0.00 C ATOM 823 C ASN A 48 4.208 4.565 -7.618 1.00 0.00 C ATOM 824 O ASN A 48 5.257 5.131 -7.323 1.00 0.00 O ATOM 825 CB ASN A 48 3.131 5.192 -5.386 1.00 0.00 C ATOM 826 CG ASN A 48 4.312 5.174 -4.413 1.00 0.00 C ATOM 827 OD1 ASN A 48 5.213 6.002 -4.507 1.00 0.00 O ATOM 828 ND2 ASN A 48 4.284 4.258 -3.443 1.00 0.00 N ATOM 0 H ASN A 48 4.134 2.945 -5.205 1.00 0.00 H new ATOM 0 HA ASN A 48 2.225 4.186 -7.033 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.047 6.194 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.218 5.006 -4.821 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.029 4.230 -2.747 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.518 3.586 -3.398 1.00 0.00 H new ATOM 835 N LEU A 49 3.859 4.271 -8.875 1.00 0.00 N ATOM 836 CA LEU A 49 4.562 4.730 -10.056 1.00 0.00 C ATOM 837 C LEU A 49 4.314 6.239 -10.136 1.00 0.00 C ATOM 838 O LEU A 49 3.162 6.624 -10.328 1.00 0.00 O ATOM 839 CB LEU A 49 4.006 4.013 -11.296 1.00 0.00 C ATOM 840 CG LEU A 49 4.061 2.474 -11.192 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.676 1.889 -10.874 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.549 1.866 -12.511 1.00 0.00 C ATOM 0 H LEU A 49 3.052 3.687 -9.095 1.00 0.00 H new ATOM 0 HA LEU A 49 5.630 4.516 -10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.973 4.322 -11.452 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.570 4.331 -12.173 1.00 0.00 H new ATOM 0 HG LEU A 49 4.752 2.229 -10.386 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.746 0.803 -10.807 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.321 2.289 -9.924 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.977 2.159 -11.665 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.582 0.780 -12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.866 2.143 -13.314 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.547 2.242 -12.738 1.00 0.00 H new ATOM 854 N PRO A 50 5.321 7.100 -9.913 1.00 0.00 N ATOM 855 CA PRO A 50 5.112 8.504 -9.576 1.00 0.00 C ATOM 856 C PRO A 50 4.844 9.351 -10.828 1.00 0.00 C ATOM 857 O PRO A 50 5.623 10.236 -11.179 1.00 0.00 O ATOM 858 CB PRO A 50 6.387 8.911 -8.833 1.00 0.00 C ATOM 859 CG PRO A 50 7.458 8.075 -9.531 1.00 0.00 C ATOM 860 CD PRO A 50 6.727 6.753 -9.777 1.00 0.00 C ATOM 0 HA PRO A 50 4.229 8.664 -8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.585 9.979 -8.921 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.326 8.685 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.791 8.535 -10.461 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.341 7.942 -8.907 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.098 6.262 -10.677 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.881 6.061 -8.949 1.00 0.00 H new ATOM 868 N ASP A 51 3.719 9.070 -11.491 1.00 0.00 N ATOM 869 CA ASP A 51 3.282 9.693 -12.729 1.00 0.00 C ATOM 870 C ASP A 51 1.816 9.332 -12.996 1.00 0.00 C ATOM 871 O ASP A 51 1.435 9.106 -14.143 1.00 0.00 O ATOM 872 CB ASP A 51 4.202 9.265 -13.890 1.00 0.00 C ATOM 873 CG ASP A 51 4.229 7.751 -14.111 1.00 0.00 C ATOM 874 OD1 ASP A 51 4.735 7.018 -13.262 1.00 0.00 O ATOM 875 OD2 ASP A 51 3.691 7.305 -15.281 1.00 0.00 O ATOM 0 H ASP A 51 3.061 8.366 -11.157 1.00 0.00 H new ATOM 0 HA ASP A 51 3.350 10.777 -12.642 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.871 9.754 -14.806 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.215 9.615 -13.690 1.00 0.00 H new ATOM 881 N GLY A 52 0.986 9.278 -11.942 1.00 0.00 N ATOM 882 CA GLY A 52 -0.432 8.986 -12.072 1.00 0.00 C ATOM 883 C GLY A 52 -1.011 8.375 -10.799 1.00 0.00 C ATOM 884 O GLY A 52 -1.259 9.088 -9.828 1.00 0.00 O ATOM 0 H GLY A 52 1.288 9.437 -10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.970 9.903 -12.311 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.586 8.300 -12.905 1.00 0.00 H new ATOM 888 N SER A 53 -1.275 7.064 -10.845 1.00 0.00 N ATOM 889 CA SER A 53 -2.083 6.326 -9.881 1.00 0.00 C ATOM 890 C SER A 53 -1.264 5.205 -9.240 1.00 0.00 C ATOM 891 O SER A 53 -0.412 4.606 -9.897 1.00 0.00 O ATOM 892 CB SER A 53 -3.315 5.764 -10.600 1.00 0.00 C ATOM 893 OG SER A 53 -2.989 5.296 -11.894 1.00 0.00 O ATOM 0 H SER A 53 -0.913 6.467 -11.589 1.00 0.00 H new ATOM 0 HA SER A 53 -2.405 6.994 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.740 4.950 -10.013 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.080 6.537 -10.673 1.00 0.00 H new ATOM 0 HG SER A 53 -3.785 5.329 -12.464 1.00 0.00 H new ATOM 899 N VAL A 54 -1.515 4.943 -7.951 1.00 0.00 N ATOM 900 CA VAL A 54 -0.795 3.943 -7.174 1.00 0.00 C ATOM 901 C VAL A 54 -1.469 2.582 -7.305 1.00 0.00 C ATOM 902 O VAL A 54 -2.657 2.439 -7.027 1.00 0.00 O ATOM 903 CB VAL A 54 -0.591 4.376 -5.707 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.862 4.789 -4.961 1.00 0.00 C ATOM 905 CG2 VAL A 54 0.058 3.247 -4.895 1.00 0.00 C ATOM 0 H VAL A 54 -2.235 5.430 -7.417 1.00 0.00 H new ATOM 0 HA VAL A 54 0.209 3.850 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 54 0.046 5.257 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.608 5.075 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.324 5.635 -5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.560 3.952 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.193 3.572 -3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.585 2.367 -4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.027 2.999 -5.327 1.00 0.00 H new ATOM 915 N GLU A 55 -0.687 1.581 -7.719 1.00 0.00 N ATOM 916 CA GLU A 55 -1.128 0.210 -7.863 1.00 0.00 C ATOM 917 C GLU A 55 -0.910 -0.503 -6.529 1.00 0.00 C ATOM 918 O GLU A 55 0.228 -0.632 -6.083 1.00 0.00 O ATOM 919 CB GLU A 55 -0.313 -0.429 -8.999 1.00 0.00 C ATOM 920 CG GLU A 55 -0.555 -1.935 -9.174 1.00 0.00 C ATOM 921 CD GLU A 55 0.655 -2.779 -8.776 1.00 0.00 C ATOM 922 OE1 GLU A 55 0.926 -2.938 -7.588 1.00 0.00 O ATOM 923 OE2 GLU A 55 1.357 -3.325 -9.808 1.00 0.00 O ATOM 0 H GLU A 55 0.293 1.716 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.186 0.140 -8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.553 0.078 -9.934 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.747 -0.262 -8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.414 -2.233 -8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.808 -2.139 -10.214 1.00 0.00 H new ATOM 931 N VAL A 56 -1.999 -0.949 -5.894 1.00 0.00 N ATOM 932 CA VAL A 56 -1.967 -1.681 -4.633 1.00 0.00 C ATOM 933 C VAL A 56 -2.435 -3.111 -4.886 1.00 0.00 C ATOM 934 O VAL A 56 -3.542 -3.301 -5.382 1.00 0.00 O ATOM 935 CB VAL A 56 -2.864 -0.990 -3.596 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.709 -1.685 -2.238 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.505 0.493 -3.434 1.00 0.00 C ATOM 0 H VAL A 56 -2.943 -0.806 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.951 -1.697 -4.238 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.893 -1.061 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.346 -1.193 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.001 -2.731 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.670 -1.625 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.162 0.947 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.469 0.583 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.629 1.004 -4.389 1.00 0.00 H new ATOM 947 N VAL A 57 -1.607 -4.108 -4.543 1.00 0.00 N ATOM 948 CA VAL A 57 -1.895 -5.517 -4.794 1.00 0.00 C ATOM 949 C VAL A 57 -1.988 -6.310 -3.487 1.00 0.00 C ATOM 950 O VAL A 57 -1.140 -7.151 -3.203 1.00 0.00 O ATOM 951 CB VAL A 57 -0.884 -6.105 -5.798 1.00 0.00 C ATOM 952 CG1 VAL A 57 -1.180 -5.576 -7.207 1.00 0.00 C ATOM 953 CG2 VAL A 57 0.579 -5.801 -5.441 1.00 0.00 C ATOM 0 H VAL A 57 -0.712 -3.952 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.878 -5.599 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.005 -7.187 -5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.462 -5.996 -7.911 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.189 -5.867 -7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.100 -4.489 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.236 -6.244 -6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.731 -4.722 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.809 -6.221 -4.462 1.00 0.00 H new ATOM 963 N ALA A 58 -3.041 -6.054 -2.703 1.00 0.00 N ATOM 964 CA ALA A 58 -3.257 -6.675 -1.399 1.00 0.00 C ATOM 965 C ALA A 58 -3.736 -8.125 -1.545 1.00 0.00 C ATOM 966 O ALA A 58 -4.693 -8.373 -2.270 1.00 0.00 O ATOM 967 CB ALA A 58 -4.307 -5.866 -0.636 1.00 0.00 C ATOM 0 H ALA A 58 -3.777 -5.398 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.312 -6.685 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.477 -6.320 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.953 -4.844 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.240 -5.857 -1.200 1.00 0.00 H new ATOM 973 N GLU A 59 -3.084 -9.080 -0.868 1.00 0.00 N ATOM 974 CA GLU A 59 -3.257 -10.507 -1.117 1.00 0.00 C ATOM 975 C GLU A 59 -3.885 -11.202 0.087 1.00 0.00 C ATOM 976 O GLU A 59 -3.200 -11.390 1.094 1.00 0.00 O ATOM 977 CB GLU A 59 -1.910 -11.158 -1.456 1.00 0.00 C ATOM 978 CG GLU A 59 -1.203 -10.429 -2.603 1.00 0.00 C ATOM 979 CD GLU A 59 -0.010 -11.223 -3.124 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.953 -11.424 -2.387 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.110 -11.673 -4.407 1.00 0.00 O ATOM 0 H GLU A 59 -2.416 -8.875 -0.125 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.930 -10.620 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.271 -11.154 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.068 -12.201 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.909 -10.257 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.867 -9.450 -2.260 1.00 0.00 H new ATOM 989 N GLY A 60 -5.159 -11.607 -0.001 1.00 0.00 N ATOM 990 CA GLY A 60 -5.796 -12.303 1.104 1.00 0.00 C ATOM 991 C GLY A 60 -6.982 -13.157 0.684 1.00 0.00 C ATOM 992 O GLY A 60 -7.440 -13.117 -0.457 1.00 0.00 O ATOM 0 H GLY A 60 -5.754 -11.463 -0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.059 -12.937 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.129 -11.571 1.840 1.00 0.00 H new ATOM 996 N TYR A 61 -7.480 -13.921 1.662 1.00 0.00 N ATOM 997 CA TYR A 61 -8.734 -14.640 1.597 1.00 0.00 C ATOM 998 C TYR A 61 -9.883 -13.635 1.567 1.00 0.00 C ATOM 999 O TYR A 61 -9.694 -12.454 1.854 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.857 -15.517 2.846 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.895 -16.682 2.936 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -6.643 -16.500 3.554 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -8.313 -17.976 2.574 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -5.807 -17.602 3.791 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -7.475 -19.078 2.814 1.00 0.00 C ATOM 1006 CZ TYR A 61 -6.218 -18.892 3.414 1.00 0.00 C ATOM 1007 OH TYR A 61 -5.401 -19.960 3.639 1.00 0.00 O ATOM 0 H TYR A 61 -6.994 -14.053 2.549 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.770 -15.260 0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.716 -14.886 3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.874 -15.907 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.325 -15.510 3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.278 -18.122 2.112 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.847 -17.459 4.264 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.798 -20.071 2.537 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.837 -20.778 3.320 1.00 0.00 H new ATOM 1017 N GLU A 62 -11.088 -14.117 1.260 1.00 0.00 N ATOM 1018 CA GLU A 62 -12.272 -13.279 1.157 1.00 0.00 C ATOM 1019 C GLU A 62 -12.855 -12.934 2.531 1.00 0.00 C ATOM 1020 O GLU A 62 -13.594 -11.958 2.654 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.319 -13.925 0.253 1.00 0.00 C ATOM 1022 CG GLU A 62 -12.860 -14.090 -1.206 1.00 0.00 C ATOM 1023 CD GLU A 62 -11.785 -15.159 -1.403 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -10.618 -14.820 -1.586 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -12.212 -16.453 -1.365 1.00 0.00 O ATOM 0 H GLU A 62 -11.266 -15.104 1.076 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.965 -12.338 0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.579 -14.904 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.226 -13.321 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.724 -14.340 -1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.478 -13.135 -1.566 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.492 -13.701 3.566 1.00 0.00 N ATOM 1034 CA GLU A 63 -12.845 -13.429 4.945 1.00 0.00 C ATOM 1035 C GLU A 63 -12.157 -12.151 5.438 1.00 0.00 C ATOM 1036 O GLU A 63 -12.700 -11.471 6.303 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.433 -14.630 5.804 1.00 0.00 C ATOM 1038 CG GLU A 63 -13.067 -15.940 5.320 1.00 0.00 C ATOM 1039 CD GLU A 63 -12.661 -17.106 6.216 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -11.698 -17.802 5.902 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -13.424 -17.295 7.331 1.00 0.00 O ATOM 0 H GLU A 63 -11.931 -14.546 3.454 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.921 -13.275 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.348 -14.728 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.723 -14.450 6.839 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.153 -15.842 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.759 -16.140 4.294 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.979 -11.829 4.884 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.214 -10.626 5.182 1.00 0.00 C ATOM 1051 C ALA A 64 -10.167 -9.664 3.991 1.00 0.00 C ATOM 1052 O ALA A 64 -9.598 -8.580 4.126 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.800 -11.043 5.598 1.00 0.00 C ATOM 0 H ALA A 64 -10.523 -12.425 4.193 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.704 -10.089 5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.211 -10.155 5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.853 -11.679 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.328 -11.592 4.783 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.762 -10.017 2.839 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.794 -9.116 1.695 1.00 0.00 C ATOM 1061 C LEU A 65 -11.711 -7.948 2.031 1.00 0.00 C ATOM 1062 O LEU A 65 -11.237 -6.824 2.162 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.239 -9.837 0.425 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.168 -8.929 -0.800 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.725 -8.716 -1.280 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -12.005 -9.574 -1.894 1.00 0.00 C ATOM 0 H LEU A 65 -11.221 -10.914 2.684 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.790 -8.743 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.609 -10.712 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.260 -10.197 0.551 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.552 -7.942 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.725 -8.064 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.141 -8.256 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.284 -9.677 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.978 -8.951 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.603 -10.560 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.035 -9.674 -1.553 1.00 0.00 H new ATOM 1078 N SER A 66 -13.009 -8.228 2.186 1.00 0.00 N ATOM 1079 CA SER A 66 -14.041 -7.265 2.546 1.00 0.00 C ATOM 1080 C SER A 66 -13.569 -6.292 3.627 1.00 0.00 C ATOM 1081 O SER A 66 -13.751 -5.094 3.477 1.00 0.00 O ATOM 1082 CB SER A 66 -15.300 -8.028 2.971 1.00 0.00 C ATOM 1083 OG SER A 66 -15.033 -8.873 4.073 1.00 0.00 O ATOM 0 H SER A 66 -13.378 -9.170 2.058 1.00 0.00 H new ATOM 0 HA SER A 66 -14.271 -6.649 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.087 -7.321 3.233 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.670 -8.621 2.135 1.00 0.00 H new ATOM 0 HG SER A 66 -15.852 -9.348 4.327 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.920 -6.785 4.683 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.360 -5.956 5.746 1.00 0.00 C ATOM 1091 C LYS A 67 -11.418 -4.877 5.185 1.00 0.00 C ATOM 1092 O LYS A 67 -11.594 -3.694 5.475 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.630 -6.857 6.753 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.563 -7.536 7.767 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.642 -8.405 7.114 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.330 -9.287 8.158 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.320 -10.132 7.517 1.00 0.00 N ATOM 0 H LYS A 67 -12.768 -7.784 4.824 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.172 -5.433 6.251 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.081 -7.625 6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.894 -6.261 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.968 -8.153 8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.043 -6.771 8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.380 -7.770 6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.195 -9.030 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.591 -9.903 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.806 -8.664 8.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.887 -10.615 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.943 -9.548 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.841 -10.840 6.924 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.436 -5.287 4.374 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.436 -4.432 3.744 1.00 0.00 C ATOM 1112 C LEU A 68 -10.039 -3.578 2.613 1.00 0.00 C ATOM 1113 O LEU A 68 -9.514 -2.510 2.308 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.293 -5.354 3.283 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.015 -4.739 2.685 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -7.087 -4.536 1.171 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.544 -3.446 3.359 1.00 0.00 C ATOM 0 H LEU A 68 -10.316 -6.270 4.131 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.046 -3.696 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.994 -5.957 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.705 -6.037 2.540 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.264 -5.499 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.153 -4.099 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.246 -5.497 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.914 -3.867 0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.638 -3.089 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.323 -2.688 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.335 -3.639 4.411 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.153 -4.009 2.010 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.833 -3.287 0.943 1.00 0.00 C ATOM 1131 C LEU A 69 -12.748 -2.199 1.510 1.00 0.00 C ATOM 1132 O LEU A 69 -12.547 -1.022 1.220 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.602 -4.277 0.052 1.00 0.00 C ATOM 1134 CG LEU A 69 -11.805 -4.741 -1.174 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -11.694 -3.638 -2.236 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.415 -5.254 -0.793 1.00 0.00 C ATOM 0 H LEU A 69 -11.611 -4.886 2.259 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.090 -2.782 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.880 -5.148 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.528 -3.810 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.364 -5.571 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.122 -4.008 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.692 -3.350 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.189 -2.771 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.886 -5.572 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.854 -4.457 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.513 -6.099 -0.111 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.749 -2.599 2.302 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.707 -1.742 2.993 1.00 0.00 C ATOM 1150 C GLU A 70 -14.008 -0.587 3.710 1.00 0.00 C ATOM 1151 O GLU A 70 -14.441 0.555 3.574 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.530 -2.579 3.982 1.00 0.00 C ATOM 1153 CG GLU A 70 -16.488 -3.539 3.262 1.00 0.00 C ATOM 1154 CD GLU A 70 -17.229 -4.431 4.256 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -18.453 -4.360 4.334 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -16.455 -5.263 5.009 1.00 0.00 O ATOM 0 H GLU A 70 -13.918 -3.588 2.486 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.376 -1.305 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.857 -3.150 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.101 -1.916 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.208 -2.967 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.928 -4.158 2.562 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.912 -0.886 4.425 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.921 0.070 4.922 1.00 0.00 C ATOM 1166 C ARG A 71 -11.801 1.295 4.015 1.00 0.00 C ATOM 1167 O ARG A 71 -11.967 2.417 4.484 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.586 -0.674 5.080 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.289 0.141 4.978 1.00 0.00 C ATOM 1170 CD ARG A 71 -9.218 1.375 5.889 1.00 0.00 C ATOM 1171 NE ARG A 71 -9.343 2.639 5.142 1.00 0.00 N ATOM 1172 CZ ARG A 71 -8.491 3.120 4.221 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -7.359 2.473 3.925 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -8.786 4.255 3.569 1.00 0.00 N ATOM 0 H ARG A 71 -12.686 -1.847 4.682 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.236 0.462 5.889 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.593 -1.170 6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.549 -1.457 4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.449 -0.513 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.162 0.464 3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.011 1.318 6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.272 1.369 6.430 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.164 3.210 5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.131 1.600 4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.723 2.852 3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.654 4.749 3.773 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.142 4.623 2.869 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.497 1.086 2.732 1.00 0.00 N ATOM 1189 CA ILE A 72 -11.101 2.156 1.834 1.00 0.00 C ATOM 1190 C ILE A 72 -12.296 3.027 1.467 1.00 0.00 C ATOM 1191 O ILE A 72 -12.380 4.167 1.919 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.318 1.625 0.621 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.157 0.718 1.060 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.746 2.818 -0.154 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.646 -0.135 -0.103 1.00 0.00 C ATOM 0 H ILE A 72 -11.521 0.166 2.293 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.402 2.807 2.358 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.996 1.041 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.343 1.329 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.486 0.070 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.188 2.457 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.562 3.458 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.082 3.389 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.825 -0.765 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.455 -0.764 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.293 0.515 -0.904 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.207 2.490 0.651 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.420 3.167 0.225 1.00 0.00 C ATOM 1209 C LYS A 73 -15.179 3.793 1.398 1.00 0.00 C ATOM 1210 O LYS A 73 -15.595 4.947 1.307 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.270 2.175 -0.574 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.518 0.829 0.129 1.00 0.00 C ATOM 1213 CD LYS A 73 -15.809 -0.263 -0.904 1.00 0.00 C ATOM 1214 CE LYS A 73 -14.547 -0.791 -1.609 1.00 0.00 C ATOM 1215 NZ LYS A 73 -14.939 -1.632 -2.722 1.00 0.00 N ATOM 0 H LYS A 73 -13.113 1.551 0.263 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.162 4.009 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.232 2.637 -0.794 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.781 1.986 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.646 0.555 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.357 0.920 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.315 -1.093 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -16.497 0.130 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.939 0.041 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.934 -1.358 -0.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.101 -1.867 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.369 -2.507 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.629 -1.126 -3.313 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.321 3.047 2.502 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.938 3.517 3.735 1.00 0.00 C ATOM 1230 C GLN A 74 -14.865 3.832 4.790 1.00 0.00 C ATOM 1231 O GLN A 74 -14.948 3.364 5.924 1.00 0.00 O ATOM 1232 CB GLN A 74 -16.978 2.487 4.213 1.00 0.00 C ATOM 1233 CG GLN A 74 -17.977 3.095 5.209 1.00 0.00 C ATOM 1234 CD GLN A 74 -19.009 2.082 5.700 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -19.020 0.928 5.277 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -19.886 2.515 6.607 1.00 0.00 N ATOM 0 H GLN A 74 -15.001 2.080 2.557 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.468 4.452 3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.519 2.092 3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.466 1.646 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.433 3.497 6.064 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -18.491 3.932 4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -19.846 3.480 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -20.596 1.881 6.973 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.876 4.664 4.435 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.986 5.293 5.403 1.00 0.00 C ATOM 1247 C GLY A 75 -12.437 6.608 4.844 1.00 0.00 C ATOM 1248 O GLY A 75 -12.350 6.760 3.627 1.00 0.00 O ATOM 0 H GLY A 75 -13.676 4.916 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.523 5.481 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.163 4.620 5.642 1.00 0.00 H new ATOM 1252 N PRO A 76 -12.076 7.568 5.714 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.682 8.913 5.318 1.00 0.00 C ATOM 1254 C PRO A 76 -10.289 8.911 4.677 1.00 0.00 C ATOM 1255 O PRO A 76 -9.311 8.619 5.363 1.00 0.00 O ATOM 1256 CB PRO A 76 -11.705 9.735 6.611 1.00 0.00 C ATOM 1257 CG PRO A 76 -11.422 8.701 7.700 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.127 7.457 7.163 1.00 0.00 C ATOM 0 HA PRO A 76 -12.352 9.331 4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.951 10.522 6.599 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.669 10.221 6.760 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.353 8.536 7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.822 9.009 8.666 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.630 6.548 7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.157 7.408 7.516 1.00 0.00 H new ATOM 1266 N PRO A 77 -10.161 9.228 3.378 1.00 0.00 N ATOM 1267 CA PRO A 77 -8.886 9.156 2.685 1.00 0.00 C ATOM 1268 C PRO A 77 -7.953 10.280 3.143 1.00 0.00 C ATOM 1269 O PRO A 77 -8.400 11.388 3.437 1.00 0.00 O ATOM 1270 CB PRO A 77 -9.241 9.282 1.205 1.00 0.00 C ATOM 1271 CG PRO A 77 -10.473 10.186 1.234 1.00 0.00 C ATOM 1272 CD PRO A 77 -11.206 9.674 2.466 1.00 0.00 C ATOM 0 HA PRO A 77 -8.351 8.229 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.428 9.723 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.460 8.313 0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.206 11.239 1.325 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -11.074 10.087 0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -11.813 10.459 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -11.881 8.857 2.211 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.647 9.992 3.186 1.00 0.00 N ATOM 1281 CA ALA A 78 -5.619 10.969 3.525 1.00 0.00 C ATOM 1282 C ALA A 78 -5.429 12.003 2.412 1.00 0.00 C ATOM 1283 O ALA A 78 -4.898 13.080 2.670 1.00 0.00 O ATOM 1284 CB ALA A 78 -4.301 10.241 3.794 1.00 0.00 C ATOM 0 H ALA A 78 -6.276 9.064 2.984 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.939 11.505 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.529 10.968 4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.432 9.546 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.001 9.690 2.903 1.00 0.00 H new ATOM 1290 N ALA A 79 -5.838 11.666 1.182 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.656 12.473 -0.011 1.00 0.00 C ATOM 1292 C ALA A 79 -6.985 12.682 -0.733 1.00 0.00 C ATOM 1293 O ALA A 79 -7.986 12.043 -0.407 1.00 0.00 O ATOM 1294 CB ALA A 79 -4.693 11.734 -0.936 1.00 0.00 C ATOM 0 H ALA A 79 -6.322 10.788 0.993 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.261 13.450 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.538 12.319 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.739 11.591 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.113 10.763 -1.198 1.00 0.00 H new ATOM 1300 N GLU A 80 -6.966 13.545 -1.755 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.071 13.710 -2.688 1.00 0.00 C ATOM 1302 C GLU A 80 -8.068 12.536 -3.670 1.00 0.00 C ATOM 1303 O GLU A 80 -7.709 12.683 -4.836 1.00 0.00 O ATOM 1304 CB GLU A 80 -7.965 15.084 -3.373 1.00 0.00 C ATOM 1305 CG GLU A 80 -9.188 15.410 -4.241 1.00 0.00 C ATOM 1306 CD GLU A 80 -9.084 16.811 -4.836 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -8.791 16.945 -6.022 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -9.339 17.842 -3.981 1.00 0.00 O ATOM 0 H GLU A 80 -6.171 14.152 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.031 13.696 -2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.848 15.856 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.068 15.108 -3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.274 14.677 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.094 15.333 -3.640 1.00 0.00 H new ATOM 1316 N VAL A 81 -8.480 11.364 -3.174 1.00 0.00 N ATOM 1317 CA VAL A 81 -8.733 10.175 -3.971 1.00 0.00 C ATOM 1318 C VAL A 81 -9.876 10.459 -4.943 1.00 0.00 C ATOM 1319 O VAL A 81 -10.969 10.853 -4.543 1.00 0.00 O ATOM 1320 CB VAL A 81 -8.963 8.958 -3.053 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -10.126 9.115 -2.066 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.125 7.663 -3.857 1.00 0.00 C ATOM 0 H VAL A 81 -8.649 11.220 -2.178 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.866 9.918 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.057 8.898 -2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.214 8.212 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.939 9.970 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.052 9.274 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.285 6.829 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.981 7.754 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.224 7.484 -4.444 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.580 10.297 -6.235 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.504 10.511 -7.328 1.00 0.00 C ATOM 1334 C GLU A 82 -11.420 9.296 -7.400 1.00 0.00 C ATOM 1335 O GLU A 82 -12.631 9.426 -7.231 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.696 10.740 -8.614 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.556 10.844 -9.880 1.00 0.00 C ATOM 1338 CD GLU A 82 -11.592 11.964 -9.810 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -11.310 13.075 -10.252 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -12.792 11.631 -9.258 1.00 0.00 O ATOM 0 H GLU A 82 -8.655 10.003 -6.549 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.128 11.393 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.113 11.655 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.986 9.922 -8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.907 11.010 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.066 9.895 -10.044 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.831 8.115 -7.617 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.568 6.858 -7.657 1.00 0.00 C ATOM 1350 C LYS A 83 -10.616 5.669 -7.633 1.00 0.00 C ATOM 1351 O LYS A 83 -9.475 5.770 -8.069 1.00 0.00 O ATOM 1352 CB LYS A 83 -12.498 6.787 -8.883 1.00 0.00 C ATOM 1353 CG LYS A 83 -11.779 6.944 -10.225 1.00 0.00 C ATOM 1354 CD LYS A 83 -11.519 5.585 -10.883 1.00 0.00 C ATOM 1355 CE LYS A 83 -10.754 5.767 -12.194 1.00 0.00 C ATOM 1356 NZ LYS A 83 -11.594 6.359 -13.220 1.00 0.00 N ATOM 0 H LYS A 83 -9.828 8.009 -7.769 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.193 6.816 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.021 5.831 -8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.256 7.566 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.380 7.563 -10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.833 7.464 -10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.948 4.949 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.465 5.079 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.884 6.401 -12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.383 4.801 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.092 6.345 -14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.476 5.815 -13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.816 7.342 -12.962 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.096 4.540 -7.114 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.349 3.294 -7.032 1.00 0.00 C ATOM 1371 C VAL A 84 -11.001 2.260 -7.952 1.00 0.00 C ATOM 1372 O VAL A 84 -11.985 1.622 -7.579 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.221 2.848 -5.563 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.511 2.961 -4.744 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.638 1.435 -5.477 1.00 0.00 C ATOM 0 H VAL A 84 -12.038 4.469 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.326 3.424 -7.385 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.532 3.557 -5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.325 2.625 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.843 3.999 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.284 2.339 -5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.556 1.138 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.293 0.739 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.650 1.420 -5.937 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.453 2.097 -9.161 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.975 1.167 -10.151 1.00 0.00 C ATOM 1387 C ASP A 85 -10.287 -0.176 -9.942 1.00 0.00 C ATOM 1388 O ASP A 85 -9.375 -0.529 -10.691 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.737 1.731 -11.558 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.250 0.802 -12.659 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -12.233 0.095 -12.452 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -10.553 0.828 -13.829 1.00 0.00 O ATOM 0 H ASP A 85 -9.631 2.612 -9.476 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.050 1.028 -10.040 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.230 2.699 -11.646 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.670 1.903 -11.701 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.700 -0.904 -8.899 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.024 -2.133 -8.526 1.00 0.00 C ATOM 1400 C TYR A 86 -10.451 -3.309 -9.391 1.00 0.00 C ATOM 1401 O TYR A 86 -11.484 -3.275 -10.059 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.175 -2.452 -7.030 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.482 -3.111 -6.630 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.646 -2.335 -6.477 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.537 -4.503 -6.401 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.851 -2.937 -6.083 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.744 -5.104 -6.006 1.00 0.00 C ATOM 1408 CZ TYR A 86 -13.902 -4.322 -5.850 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.073 -4.912 -5.474 1.00 0.00 O ATOM 0 H TYR A 86 -11.494 -0.659 -8.307 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.963 -1.965 -8.711 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.354 -3.103 -6.731 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.068 -1.525 -6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.612 -1.272 -6.664 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.651 -5.106 -6.530 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.739 -2.336 -5.959 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.782 -6.168 -5.822 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.931 -5.874 -5.356 1.00 0.00 H new ATOM 1419 N SER A 87 -9.629 -4.358 -9.342 1.00 0.00 N ATOM 1420 CA SER A 87 -9.847 -5.608 -10.035 1.00 0.00 C ATOM 1421 C SER A 87 -9.456 -6.756 -9.109 1.00 0.00 C ATOM 1422 O SER A 87 -8.320 -6.817 -8.646 1.00 0.00 O ATOM 1423 CB SER A 87 -9.014 -5.636 -11.320 1.00 0.00 C ATOM 1424 OG SER A 87 -9.379 -4.563 -12.163 1.00 0.00 O ATOM 0 H SER A 87 -8.767 -4.351 -8.798 1.00 0.00 H new ATOM 0 HA SER A 87 -10.897 -5.712 -10.308 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.954 -5.571 -11.076 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.165 -6.583 -11.839 1.00 0.00 H new ATOM 0 HG SER A 87 -8.839 -4.591 -12.980 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.391 -7.675 -8.860 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.082 -8.968 -8.274 1.00 0.00 C ATOM 1432 C PHE A 88 -9.413 -9.814 -9.359 1.00 0.00 C ATOM 1433 O PHE A 88 -9.994 -10.011 -10.426 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.370 -9.608 -7.719 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.515 -11.111 -7.921 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -10.488 -11.985 -7.518 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.642 -11.633 -8.584 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -10.576 -13.362 -7.778 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.746 -13.016 -8.822 1.00 0.00 C ATOM 1440 CZ PHE A 88 -11.715 -13.881 -8.418 1.00 0.00 C ATOM 0 H PHE A 88 -11.382 -7.538 -9.061 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.397 -8.880 -7.430 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.423 -9.399 -6.651 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.225 -9.116 -8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.623 -11.592 -7.003 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -13.429 -10.970 -8.911 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.771 -14.021 -7.487 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.620 -13.413 -9.316 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.797 -14.943 -8.599 1.00 0.00 H new ATOM 1450 N SER A 89 -8.203 -10.315 -9.079 1.00 0.00 N ATOM 1451 CA SER A 89 -7.500 -11.268 -9.929 1.00 0.00 C ATOM 1452 C SER A 89 -7.039 -12.469 -9.103 1.00 0.00 C ATOM 1453 O SER A 89 -7.142 -12.466 -7.879 1.00 0.00 O ATOM 1454 CB SER A 89 -6.299 -10.597 -10.605 1.00 0.00 C ATOM 1455 OG SER A 89 -6.629 -9.307 -11.075 1.00 0.00 O ATOM 0 H SER A 89 -7.681 -10.061 -8.240 1.00 0.00 H new ATOM 0 HA SER A 89 -8.184 -11.615 -10.703 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.473 -10.528 -9.898 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.956 -11.213 -11.437 1.00 0.00 H new ATOM 0 HG SER A 89 -5.844 -8.903 -11.500 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.482 -13.479 -9.776 1.00 0.00 N ATOM 1462 CA GLU A 90 -5.793 -14.581 -9.121 1.00 0.00 C ATOM 1463 C GLU A 90 -4.337 -14.191 -8.895 1.00 0.00 C ATOM 1464 O GLU A 90 -3.724 -13.533 -9.734 1.00 0.00 O ATOM 1465 CB GLU A 90 -5.898 -15.867 -9.951 1.00 0.00 C ATOM 1466 CG GLU A 90 -7.266 -16.533 -9.767 1.00 0.00 C ATOM 1467 CD GLU A 90 -7.459 -17.086 -8.354 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -8.265 -16.545 -7.600 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -6.695 -18.167 -8.024 1.00 0.00 O ATOM 0 H GLU A 90 -6.499 -13.551 -10.793 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.265 -14.781 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.741 -15.637 -11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.110 -16.560 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.052 -15.809 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.373 -17.342 -10.489 1.00 0.00 H new ATOM 1477 N TYR A 91 -3.807 -14.595 -7.738 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.460 -14.315 -7.288 1.00 0.00 C ATOM 1479 C TYR A 91 -1.419 -14.933 -8.224 1.00 0.00 C ATOM 1480 O TYR A 91 -1.582 -16.059 -8.691 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.328 -14.825 -5.847 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.255 -16.338 -5.721 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.422 -17.123 -5.802 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -0.997 -16.970 -5.707 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.333 -18.522 -5.883 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.906 -18.368 -5.808 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.074 -19.146 -5.892 1.00 0.00 C ATOM 1488 OH TYR A 91 -1.989 -20.504 -5.988 1.00 0.00 O ATOM 0 H TYR A 91 -4.337 -15.150 -7.066 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.270 -13.242 -7.307 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.432 -14.392 -5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.178 -14.465 -5.268 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.391 -16.646 -5.802 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.098 -16.378 -5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.232 -19.118 -5.938 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.062 -18.846 -5.821 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.047 -20.774 -5.982 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.346 -14.180 -8.489 1.00 0.00 N ATOM 1499 CA LYS A 92 0.831 -14.654 -9.204 1.00 0.00 C ATOM 1500 C LYS A 92 1.700 -15.470 -8.244 1.00 0.00 C ATOM 1501 O LYS A 92 2.117 -16.580 -8.564 1.00 0.00 O ATOM 1502 CB LYS A 92 1.589 -13.442 -9.766 1.00 0.00 C ATOM 1503 CG LYS A 92 2.953 -13.769 -10.390 1.00 0.00 C ATOM 1504 CD LYS A 92 2.848 -14.737 -11.573 1.00 0.00 C ATOM 1505 CE LYS A 92 4.225 -14.919 -12.219 1.00 0.00 C ATOM 1506 NZ LYS A 92 4.133 -15.827 -13.345 1.00 0.00 N ATOM 0 H LYS A 92 -0.276 -13.203 -8.204 1.00 0.00 H new ATOM 0 HA LYS A 92 0.551 -15.298 -10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.967 -12.959 -10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.736 -12.719 -8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.426 -12.845 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.601 -14.202 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.465 -15.700 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.140 -14.353 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.610 -13.955 -12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.931 -15.308 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.073 -15.943 -13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.785 -16.751 -13.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.475 -15.439 -14.051 1.00 0.00 H new ATOM 1519 N GLY A 93 1.965 -14.900 -7.065 1.00 0.00 N ATOM 1520 CA GLY A 93 2.766 -15.497 -6.017 1.00 0.00 C ATOM 1521 C GLY A 93 2.537 -14.721 -4.722 1.00 0.00 C ATOM 1522 O GLY A 93 1.835 -13.710 -4.717 1.00 0.00 O ATOM 0 H GLY A 93 1.610 -13.977 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.493 -16.544 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.821 -15.475 -6.289 1.00 0.00 H new ATOM 1526 N GLU A 94 3.135 -15.201 -3.630 1.00 0.00 N ATOM 1527 CA GLU A 94 3.084 -14.570 -2.324 1.00 0.00 C ATOM 1528 C GLU A 94 4.201 -13.531 -2.225 1.00 0.00 C ATOM 1529 O GLU A 94 5.377 -13.868 -2.107 1.00 0.00 O ATOM 1530 CB GLU A 94 3.112 -15.616 -1.201 1.00 0.00 C ATOM 1531 CG GLU A 94 4.213 -16.680 -1.314 1.00 0.00 C ATOM 1532 CD GLU A 94 4.225 -17.579 -0.082 1.00 0.00 C ATOM 1533 OE1 GLU A 94 3.736 -18.704 -0.148 1.00 0.00 O ATOM 1534 OE2 GLU A 94 4.794 -17.046 1.037 1.00 0.00 O ATOM 0 H GLU A 94 3.681 -16.063 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 94 2.138 -14.043 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.228 -15.098 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.146 -16.120 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.052 -17.283 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.183 -16.196 -1.426 1.00 0.00 H new ATOM 1542 N PHE A 95 3.817 -12.255 -2.294 1.00 0.00 N ATOM 1543 CA PHE A 95 4.719 -11.125 -2.165 1.00 0.00 C ATOM 1544 C PHE A 95 5.325 -11.141 -0.761 1.00 0.00 C ATOM 1545 O PHE A 95 4.609 -11.334 0.218 1.00 0.00 O ATOM 1546 CB PHE A 95 3.951 -9.817 -2.399 1.00 0.00 C ATOM 1547 CG PHE A 95 3.673 -9.440 -3.849 1.00 0.00 C ATOM 1548 CD1 PHE A 95 3.028 -10.337 -4.724 1.00 0.00 C ATOM 1549 CD2 PHE A 95 4.001 -8.150 -4.308 1.00 0.00 C ATOM 1550 CE1 PHE A 95 2.695 -9.941 -6.030 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.658 -7.748 -5.612 1.00 0.00 C ATOM 1552 CZ PHE A 95 3.002 -8.643 -6.472 1.00 0.00 C ATOM 0 H PHE A 95 2.847 -11.980 -2.445 1.00 0.00 H new ATOM 0 HA PHE A 95 5.514 -11.194 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.997 -9.883 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.512 -9.005 -1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.788 -11.335 -4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.520 -7.464 -3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.203 -10.635 -6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.899 -6.751 -5.951 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.734 -8.334 -7.472 1.00 0.00 H new ATOM 1562 N GLU A 96 6.642 -10.949 -0.658 1.00 0.00 N ATOM 1563 CA GLU A 96 7.343 -10.908 0.610 1.00 0.00 C ATOM 1564 C GLU A 96 6.941 -9.646 1.379 1.00 0.00 C ATOM 1565 O GLU A 96 7.490 -8.575 1.126 1.00 0.00 O ATOM 1566 CB GLU A 96 8.857 -10.986 0.374 1.00 0.00 C ATOM 1567 CG GLU A 96 9.243 -12.274 -0.367 1.00 0.00 C ATOM 1568 CD GLU A 96 10.757 -12.439 -0.438 1.00 0.00 C ATOM 1569 OE1 GLU A 96 11.302 -13.328 0.211 1.00 0.00 O ATOM 1570 OE2 GLU A 96 11.415 -11.556 -1.244 1.00 0.00 O ATOM 0 H GLU A 96 7.251 -10.817 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 96 7.065 -11.769 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.182 -10.121 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.378 -10.944 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.805 -13.133 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.829 -12.254 -1.375 1.00 0.00 H new ATOM 1578 N ASP A 97 5.975 -9.782 2.299 1.00 0.00 N ATOM 1579 CA ASP A 97 5.398 -8.703 3.099 1.00 0.00 C ATOM 1580 C ASP A 97 4.523 -7.794 2.230 1.00 0.00 C ATOM 1581 O ASP A 97 4.225 -8.129 1.084 1.00 0.00 O ATOM 1582 CB ASP A 97 6.476 -7.927 3.881 1.00 0.00 C ATOM 1583 CG ASP A 97 7.403 -8.851 4.666 1.00 0.00 C ATOM 1584 OD1 ASP A 97 7.041 -9.279 5.760 1.00 0.00 O ATOM 1585 OD2 ASP A 97 8.603 -9.139 4.084 1.00 0.00 O ATOM 0 H ASP A 97 5.559 -10.689 2.512 1.00 0.00 H new ATOM 0 HA ASP A 97 4.749 -9.148 3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.066 -7.330 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.993 -7.232 4.568 1.00 0.00 H new ATOM 1591 N PHE A 98 4.093 -6.655 2.791 1.00 0.00 N ATOM 1592 CA PHE A 98 3.274 -5.662 2.113 1.00 0.00 C ATOM 1593 C PHE A 98 3.784 -4.273 2.493 1.00 0.00 C ATOM 1594 O PHE A 98 3.368 -3.719 3.507 1.00 0.00 O ATOM 1595 CB PHE A 98 1.807 -5.864 2.509 1.00 0.00 C ATOM 1596 CG PHE A 98 0.741 -5.164 1.682 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.035 -4.108 0.796 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.600 -5.475 1.954 1.00 0.00 C ATOM 1599 CE1 PHE A 98 -0.002 -3.398 0.168 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.638 -4.751 1.346 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.340 -3.710 0.455 1.00 0.00 C ATOM 0 H PHE A 98 4.315 -6.400 3.753 1.00 0.00 H new ATOM 0 HA PHE A 98 3.341 -5.768 1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.599 -6.934 2.485 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.693 -5.540 3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.063 -3.843 0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.836 -6.278 2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.230 -2.612 -0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.667 -4.996 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.138 -3.150 -0.009 1.00 0.00 H new ATOM 1611 N GLU A 99 4.701 -3.722 1.690 1.00 0.00 N ATOM 1612 CA GLU A 99 5.350 -2.449 1.990 1.00 0.00 C ATOM 1613 C GLU A 99 5.102 -1.457 0.855 1.00 0.00 C ATOM 1614 O GLU A 99 4.653 -1.840 -0.222 1.00 0.00 O ATOM 1615 CB GLU A 99 6.834 -2.718 2.267 1.00 0.00 C ATOM 1616 CG GLU A 99 7.620 -1.450 2.618 1.00 0.00 C ATOM 1617 CD GLU A 99 9.046 -1.806 3.027 1.00 0.00 C ATOM 1618 OE1 GLU A 99 9.395 -1.662 4.197 1.00 0.00 O ATOM 1619 OE2 GLU A 99 9.844 -2.284 2.029 1.00 0.00 O ATOM 0 H GLU A 99 5.011 -4.148 0.817 1.00 0.00 H new ATOM 0 HA GLU A 99 4.930 -1.986 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.921 -3.431 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.282 -3.185 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.638 -0.776 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.123 -0.919 3.430 1.00 0.00 H new ATOM 1627 N THR A 100 5.348 -0.171 1.113 1.00 0.00 N ATOM 1628 CA THR A 100 5.012 0.907 0.201 1.00 0.00 C ATOM 1629 C THR A 100 6.244 1.334 -0.602 1.00 0.00 C ATOM 1630 O THR A 100 7.351 1.383 -0.064 1.00 0.00 O ATOM 1631 CB THR A 100 4.333 2.052 0.977 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.284 2.958 1.497 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.487 1.524 2.148 1.00 0.00 C ATOM 0 H THR A 100 5.792 0.148 1.974 1.00 0.00 H new ATOM 0 HA THR A 100 4.287 0.567 -0.539 1.00 0.00 H new ATOM 0 HB THR A 100 3.688 2.561 0.261 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.823 3.674 1.982 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.025 2.362 2.670 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.710 0.862 1.766 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.126 0.974 2.839 1.00 0.00 H new ATOM 1641 N TYR A 101 6.054 1.605 -1.898 1.00 0.00 N ATOM 1642 CA TYR A 101 7.115 2.008 -2.815 1.00 0.00 C ATOM 1643 C TYR A 101 7.462 3.491 -2.640 1.00 0.00 C ATOM 1644 O TYR A 101 8.529 3.886 -3.159 1.00 0.00 O ATOM 1645 CB TYR A 101 6.617 1.686 -4.225 1.00 0.00 C ATOM 1646 CG TYR A 101 7.590 1.794 -5.379 1.00 0.00 C ATOM 1647 CD1 TYR A 101 7.660 2.992 -6.113 1.00 0.00 C ATOM 1648 CD2 TYR A 101 8.212 0.635 -5.880 1.00 0.00 C ATOM 1649 CE1 TYR A 101 8.476 3.073 -7.254 1.00 0.00 C ATOM 1650 CE2 TYR A 101 9.032 0.714 -7.021 1.00 0.00 C ATOM 1651 CZ TYR A 101 9.184 1.940 -7.693 1.00 0.00 C ATOM 1652 OH TYR A 101 10.010 2.019 -8.776 1.00 0.00 O ATOM 1653 OXT TYR A 101 6.664 4.209 -1.995 1.00 0.00 O ATOM 0 H TYR A 101 5.138 1.548 -2.343 1.00 0.00 H new ATOM 0 HA TYR A 101 8.041 1.469 -2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.228 0.668 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.776 2.346 -4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.086 3.851 -5.799 1.00 0.00 H new ATOM 0 HD2 TYR A 101 8.060 -0.315 -5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.559 4.005 -7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.544 -0.166 -7.380 1.00 0.00 H new ATOM 0 HH TYR A 101 10.420 1.144 -8.939 1.00 0.00 H new