USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 MET CE :methyl 156:sc= -0.161 (180deg=-0.619) USER MOD Set 1.2: A 89 MET CE :methyl 145:sc= -0.0258 (180deg=0) USER MOD Single : A 15 SER OG : rot 32:sc= 0.0789 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.0139 (180deg=-0.205) USER MOD Single : A 20 ASN : amide:sc= 0.949 K(o=0.95,f=-1.7!) USER MOD Single : A 22 THR OG1 : rot -53:sc= 0.713 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -68:sc= 0.632 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 119:sc= 0.361 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -157:sc= 0.239 USER MOD Single : A 44 TYR OH : rot 73:sc= 1.15 USER MOD Single : A 63 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-7.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -170:sc= -0.851 (180deg=-1.7) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.721 6.744 5.084 1.00 0.00 N ATOM 204 CA SER A 15 10.480 6.705 4.328 1.00 0.00 C ATOM 205 C SER A 15 10.127 5.276 3.964 1.00 0.00 C ATOM 206 O SER A 15 10.995 4.485 3.599 1.00 0.00 O ATOM 207 CB SER A 15 10.613 7.556 3.067 1.00 0.00 C ATOM 208 OG SER A 15 10.871 8.898 3.414 1.00 0.00 O ATOM 0 HA SER A 15 9.679 7.111 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.420 7.172 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.698 7.494 2.478 1.00 0.00 H new ATOM 0 HG SER A 15 11.396 8.927 4.241 1.00 0.00 H new ATOM 214 N LEU A 16 8.836 4.958 4.066 1.00 0.00 N ATOM 215 CA LEU A 16 8.325 3.657 3.659 1.00 0.00 C ATOM 216 C LEU A 16 7.729 3.797 2.270 1.00 0.00 C ATOM 217 O LEU A 16 7.429 4.920 1.878 1.00 0.00 O ATOM 218 CB LEU A 16 7.254 3.195 4.646 1.00 0.00 C ATOM 219 CG LEU A 16 6.808 1.746 4.433 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.965 0.789 4.700 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.655 1.427 5.372 1.00 0.00 C ATOM 0 H LEU A 16 8.124 5.591 4.430 1.00 0.00 H new ATOM 0 HA LEU A 16 9.127 2.919 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.636 3.303 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.387 3.850 4.561 1.00 0.00 H new ATOM 0 HG LEU A 16 6.484 1.625 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.632 -0.237 4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.786 1.011 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.305 0.908 5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.337 0.395 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.979 1.559 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.821 2.098 5.165 1.00 0.00 H new ATOM 233 N LYS A 17 7.575 2.670 1.570 1.00 0.00 N ATOM 234 CA LYS A 17 6.928 2.529 0.271 1.00 0.00 C ATOM 235 C LYS A 17 6.122 1.236 0.304 1.00 0.00 C ATOM 236 O LYS A 17 6.577 0.216 0.818 1.00 0.00 O ATOM 237 CB LYS A 17 7.994 2.516 -0.836 1.00 0.00 C ATOM 238 CG LYS A 17 7.604 1.768 -2.112 1.00 0.00 C ATOM 239 CD LYS A 17 6.503 2.482 -2.891 1.00 0.00 C ATOM 240 CE LYS A 17 6.083 1.653 -4.100 1.00 0.00 C ATOM 241 NZ LYS A 17 7.193 1.476 -5.055 1.00 0.00 N ATOM 0 H LYS A 17 7.922 1.778 1.921 1.00 0.00 H new ATOM 0 HA LYS A 17 6.260 3.364 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.234 3.546 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.904 2.068 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.482 1.658 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.269 0.763 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.643 2.653 -2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.856 3.460 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.731 0.677 -3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.246 2.139 -4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.822 1.105 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.656 2.392 -5.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.885 0.806 -4.663 1.00 0.00 H new ATOM 255 N VAL A 18 4.911 1.273 -0.248 1.00 0.00 N ATOM 256 CA VAL A 18 4.079 0.082 -0.376 1.00 0.00 C ATOM 257 C VAL A 18 3.601 -0.052 -1.804 1.00 0.00 C ATOM 258 O VAL A 18 3.265 0.962 -2.415 1.00 0.00 O ATOM 259 CB VAL A 18 2.884 0.210 0.551 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.724 -0.680 0.095 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.311 -0.145 1.968 1.00 0.00 C ATOM 0 H VAL A 18 4.483 2.123 -0.616 1.00 0.00 H new ATOM 0 HA VAL A 18 4.659 -0.801 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 18 2.528 1.240 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.885 -0.564 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.415 -0.389 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.045 -1.721 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.457 -0.055 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.683 -1.169 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.099 0.535 2.291 1.00 0.00 H new ATOM 271 N ASP A 19 3.590 -1.307 -2.279 1.00 0.00 N ATOM 272 CA ASP A 19 3.402 -1.736 -3.662 1.00 0.00 C ATOM 273 C ASP A 19 2.530 -2.998 -3.742 1.00 0.00 C ATOM 274 O ASP A 19 2.173 -3.586 -2.718 1.00 0.00 O ATOM 275 CB ASP A 19 4.802 -1.917 -4.269 1.00 0.00 C ATOM 276 CG ASP A 19 4.974 -3.124 -5.192 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.588 -3.013 -6.376 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.491 -4.152 -4.705 1.00 0.00 O ATOM 0 H ASP A 19 3.723 -2.103 -1.655 1.00 0.00 H new ATOM 0 HA ASP A 19 2.856 -0.990 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.054 -1.016 -4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.523 -1.999 -3.455 1.00 0.00 H new ATOM 283 N ASN A 20 2.195 -3.396 -4.974 1.00 0.00 N ATOM 284 CA ASN A 20 1.301 -4.489 -5.342 1.00 0.00 C ATOM 285 C ASN A 20 -0.162 -4.149 -5.065 1.00 0.00 C ATOM 286 O ASN A 20 -0.544 -3.945 -3.913 1.00 0.00 O ATOM 287 CB ASN A 20 1.721 -5.802 -4.683 1.00 0.00 C ATOM 288 CG ASN A 20 1.238 -6.983 -5.518 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.200 -6.923 -6.742 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.859 -8.078 -4.869 1.00 0.00 N ATOM 0 H ASN A 20 2.571 -2.925 -5.797 1.00 0.00 H new ATOM 0 HA ASN A 20 1.389 -4.629 -6.419 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.806 -5.837 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.305 -5.863 -3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.528 -8.891 -5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.899 -8.106 -3.850 1.00 0.00 H new ATOM 297 N LEU A 21 -0.973 -4.093 -6.130 1.00 0.00 N ATOM 298 CA LEU A 21 -2.398 -3.781 -6.068 1.00 0.00 C ATOM 299 C LEU A 21 -3.211 -4.692 -6.984 1.00 0.00 C ATOM 300 O LEU A 21 -2.662 -5.518 -7.710 1.00 0.00 O ATOM 301 CB LEU A 21 -2.638 -2.337 -6.523 1.00 0.00 C ATOM 302 CG LEU A 21 -1.785 -1.304 -5.802 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.128 0.053 -6.408 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.048 -1.273 -4.299 1.00 0.00 C ATOM 0 H LEU A 21 -0.643 -4.268 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.713 -3.926 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.444 -2.269 -7.593 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.689 -2.091 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.732 -1.558 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.538 0.829 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.903 0.043 -7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.189 0.259 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.413 -0.519 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.095 -1.028 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.824 -2.250 -3.870 1.00 0.00 H new ATOM 316 N THR A 22 -4.533 -4.516 -6.941 1.00 0.00 N ATOM 317 CA THR A 22 -5.471 -5.172 -7.843 1.00 0.00 C ATOM 318 C THR A 22 -6.328 -4.120 -8.530 1.00 0.00 C ATOM 319 O THR A 22 -7.492 -4.370 -8.819 1.00 0.00 O ATOM 320 CB THR A 22 -6.330 -6.205 -7.099 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.158 -6.909 -7.997 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.187 -5.581 -5.998 1.00 0.00 C ATOM 0 H THR A 22 -4.986 -3.902 -6.265 1.00 0.00 H new ATOM 0 HA THR A 22 -4.912 -5.719 -8.603 1.00 0.00 H new ATOM 0 HB THR A 22 -5.632 -6.894 -6.624 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.666 -6.272 -8.541 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.772 -6.359 -5.507 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.542 -5.096 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.859 -4.842 -6.435 1.00 0.00 H new ATOM 329 N TYR A 23 -5.758 -2.937 -8.793 1.00 0.00 N ATOM 330 CA TYR A 23 -6.418 -1.836 -9.498 1.00 0.00 C ATOM 331 C TYR A 23 -7.616 -1.254 -8.751 1.00 0.00 C ATOM 332 O TYR A 23 -8.181 -0.245 -9.174 1.00 0.00 O ATOM 333 CB TYR A 23 -6.779 -2.312 -10.911 1.00 0.00 C ATOM 334 CG TYR A 23 -8.222 -2.110 -11.331 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.230 -2.956 -10.836 1.00 0.00 C ATOM 336 CD2 TYR A 23 -8.551 -1.073 -12.216 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.566 -2.761 -11.222 1.00 0.00 C ATOM 338 CE2 TYR A 23 -9.882 -0.872 -12.610 1.00 0.00 C ATOM 339 CZ TYR A 23 -10.893 -1.717 -12.112 1.00 0.00 C ATOM 340 OH TYR A 23 -12.192 -1.530 -12.488 1.00 0.00 O ATOM 0 H TYR A 23 -4.802 -2.716 -8.514 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.720 -1.001 -9.559 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.138 -1.792 -11.623 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.544 -3.374 -10.986 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.976 -3.757 -10.158 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.775 -0.425 -12.596 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.341 -3.408 -10.839 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.131 -0.073 -13.292 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.248 -0.769 -13.103 1.00 0.00 H new ATOM 350 N ARG A 24 -8.002 -1.882 -7.641 1.00 0.00 N ATOM 351 CA ARG A 24 -9.176 -1.486 -6.872 1.00 0.00 C ATOM 352 C ARG A 24 -8.871 -1.412 -5.372 1.00 0.00 C ATOM 353 O ARG A 24 -9.741 -1.043 -4.585 1.00 0.00 O ATOM 354 CB ARG A 24 -10.284 -2.480 -7.214 1.00 0.00 C ATOM 355 CG ARG A 24 -11.611 -2.164 -6.530 1.00 0.00 C ATOM 356 CD ARG A 24 -12.703 -3.075 -7.092 1.00 0.00 C ATOM 357 NE ARG A 24 -14.001 -2.789 -6.472 1.00 0.00 N ATOM 358 CZ ARG A 24 -14.434 -3.344 -5.334 1.00 0.00 C ATOM 359 NH1 ARG A 24 -13.680 -4.223 -4.678 1.00 0.00 N ATOM 360 NH2 ARG A 24 -15.625 -3.019 -4.843 1.00 0.00 N ATOM 0 H ARG A 24 -7.506 -2.683 -7.250 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.497 -0.478 -7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.433 -2.490 -8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.965 -3.482 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.521 -2.308 -5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.876 -1.119 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.774 -2.939 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.436 -4.117 -6.919 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.615 -2.122 -6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.762 -4.480 -5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.020 -4.640 -3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.212 -2.345 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.952 -3.444 -3.975 1.00 0.00 H new ATOM 374 N THR A 25 -7.645 -1.758 -4.970 1.00 0.00 N ATOM 375 CA THR A 25 -7.235 -1.625 -3.580 1.00 0.00 C ATOM 376 C THR A 25 -7.366 -0.178 -3.109 1.00 0.00 C ATOM 377 O THR A 25 -7.796 0.060 -1.981 1.00 0.00 O ATOM 378 CB THR A 25 -5.797 -2.109 -3.430 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.728 -3.491 -3.698 1.00 0.00 O ATOM 380 CG2 THR A 25 -5.293 -1.861 -2.015 1.00 0.00 C ATOM 0 H THR A 25 -6.925 -2.131 -5.589 1.00 0.00 H new ATOM 0 HA THR A 25 -7.888 -2.236 -2.958 1.00 0.00 H new ATOM 0 HB THR A 25 -5.176 -1.558 -4.136 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.194 -3.985 -2.991 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.265 -2.213 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.331 -0.794 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.922 -2.398 -1.305 1.00 0.00 H new ATOM 387 N SER A 26 -7.004 0.781 -3.969 1.00 0.00 N ATOM 388 CA SER A 26 -7.107 2.218 -3.729 1.00 0.00 C ATOM 389 C SER A 26 -6.310 2.732 -2.517 1.00 0.00 C ATOM 390 O SER A 26 -6.017 1.987 -1.581 1.00 0.00 O ATOM 391 CB SER A 26 -8.588 2.592 -3.635 1.00 0.00 C ATOM 392 OG SER A 26 -9.226 2.306 -4.864 1.00 0.00 O ATOM 0 H SER A 26 -6.616 0.564 -4.887 1.00 0.00 H new ATOM 0 HA SER A 26 -6.638 2.719 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.064 2.035 -2.828 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.692 3.651 -3.397 1.00 0.00 H new ATOM 0 HG SER A 26 -10.175 2.544 -4.803 1.00 0.00 H new ATOM 398 N PRO A 27 -5.952 4.026 -2.528 1.00 0.00 N ATOM 399 CA PRO A 27 -5.199 4.684 -1.465 1.00 0.00 C ATOM 400 C PRO A 27 -5.995 4.754 -0.165 1.00 0.00 C ATOM 401 O PRO A 27 -5.404 4.832 0.905 1.00 0.00 O ATOM 402 CB PRO A 27 -4.888 6.085 -1.985 1.00 0.00 C ATOM 403 CG PRO A 27 -5.917 6.337 -3.086 1.00 0.00 C ATOM 404 CD PRO A 27 -6.261 4.949 -3.607 1.00 0.00 C ATOM 0 HA PRO A 27 -4.293 4.127 -1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.970 6.828 -1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.872 6.145 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.799 6.845 -2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.508 6.968 -3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.313 4.886 -3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.682 4.713 -4.500 1.00 0.00 H new ATOM 412 N ASP A 28 -7.326 4.721 -0.259 1.00 0.00 N ATOM 413 CA ASP A 28 -8.197 4.814 0.902 1.00 0.00 C ATOM 414 C ASP A 28 -8.061 3.591 1.806 1.00 0.00 C ATOM 415 O ASP A 28 -7.901 3.721 3.021 1.00 0.00 O ATOM 416 CB ASP A 28 -9.631 4.913 0.390 1.00 0.00 C ATOM 417 CG ASP A 28 -9.869 6.226 -0.354 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.134 7.238 0.334 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.786 6.204 -1.602 1.00 0.00 O ATOM 0 H ASP A 28 -7.825 4.629 -1.144 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.922 5.687 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.840 4.074 -0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.324 4.837 1.228 1.00 0.00 H new ATOM 424 N THR A 29 -8.126 2.398 1.213 1.00 0.00 N ATOM 425 CA THR A 29 -8.044 1.171 1.981 1.00 0.00 C ATOM 426 C THR A 29 -6.653 1.061 2.566 1.00 0.00 C ATOM 427 O THR A 29 -6.490 0.688 3.724 1.00 0.00 O ATOM 428 CB THR A 29 -8.300 -0.030 1.075 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.508 0.160 0.370 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.396 -1.314 1.895 1.00 0.00 C ATOM 0 H THR A 29 -8.235 2.263 0.208 1.00 0.00 H new ATOM 0 HA THR A 29 -8.792 1.185 2.774 1.00 0.00 H new ATOM 0 HB THR A 29 -7.469 -0.119 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.327 0.171 -0.593 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.579 -2.158 1.230 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.462 -1.472 2.434 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.216 -1.230 2.608 1.00 0.00 H new ATOM 437 N LEU A 30 -5.639 1.391 1.763 1.00 0.00 N ATOM 438 CA LEU A 30 -4.261 1.345 2.216 1.00 0.00 C ATOM 439 C LEU A 30 -4.061 2.312 3.372 1.00 0.00 C ATOM 440 O LEU A 30 -3.241 2.054 4.248 1.00 0.00 O ATOM 441 CB LEU A 30 -3.346 1.735 1.062 1.00 0.00 C ATOM 442 CG LEU A 30 -3.431 0.753 -0.108 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.792 1.400 -1.333 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.698 -0.542 0.226 1.00 0.00 C ATOM 0 H LEU A 30 -5.754 1.693 0.795 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.024 0.336 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.610 2.734 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.317 1.783 1.418 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.476 0.516 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.844 0.712 -2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.325 2.318 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.749 1.633 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.769 -1.228 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.649 -0.325 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.151 -1.000 1.105 1.00 0.00 H new ATOM 456 N ARG A 31 -4.806 3.425 3.392 1.00 0.00 N ATOM 457 CA ARG A 31 -4.626 4.431 4.421 1.00 0.00 C ATOM 458 C ARG A 31 -4.895 3.825 5.790 1.00 0.00 C ATOM 459 O ARG A 31 -4.042 3.869 6.671 1.00 0.00 O ATOM 460 CB ARG A 31 -5.583 5.603 4.160 1.00 0.00 C ATOM 461 CG ARG A 31 -5.047 6.939 4.688 1.00 0.00 C ATOM 462 CD ARG A 31 -4.515 6.851 6.116 1.00 0.00 C ATOM 463 NE ARG A 31 -4.111 8.173 6.604 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.883 8.981 7.339 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.118 8.627 7.678 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.409 10.162 7.734 1.00 0.00 N ATOM 0 H ARG A 31 -5.531 3.641 2.708 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.599 4.796 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.763 5.687 3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.544 5.392 4.629 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.250 7.289 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.842 7.683 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.282 6.436 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.664 6.170 6.151 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.175 8.500 6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.491 7.727 7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.693 9.256 8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.464 10.444 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.992 10.784 8.295 1.00 0.00 H new ATOM 480 N ARG A 32 -6.087 3.253 5.961 1.00 0.00 N ATOM 481 CA ARG A 32 -6.496 2.680 7.241 1.00 0.00 C ATOM 482 C ARG A 32 -5.937 1.276 7.460 1.00 0.00 C ATOM 483 O ARG A 32 -6.094 0.718 8.541 1.00 0.00 O ATOM 484 CB ARG A 32 -8.022 2.691 7.308 1.00 0.00 C ATOM 485 CG ARG A 32 -8.624 1.806 6.211 1.00 0.00 C ATOM 486 CD ARG A 32 -9.901 2.436 5.677 1.00 0.00 C ATOM 487 NE ARG A 32 -10.928 2.553 6.717 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.066 3.237 6.574 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.335 3.873 5.436 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.945 3.289 7.571 1.00 0.00 N ATOM 0 H ARG A 32 -6.788 3.175 5.225 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.083 3.288 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.350 2.338 8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.387 3.712 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.906 1.677 5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.837 0.814 6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.678 3.424 5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.285 1.835 4.853 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.763 2.082 7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.669 3.840 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.207 4.393 5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.751 2.806 8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.813 3.812 7.459 1.00 0.00 H new ATOM 504 N VAL A 33 -5.287 0.706 6.445 1.00 0.00 N ATOM 505 CA VAL A 33 -4.607 -0.581 6.542 1.00 0.00 C ATOM 506 C VAL A 33 -3.160 -0.406 6.996 1.00 0.00 C ATOM 507 O VAL A 33 -2.528 -1.373 7.412 1.00 0.00 O ATOM 508 CB VAL A 33 -4.670 -1.274 5.180 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.602 -2.358 5.004 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.042 -1.926 5.034 1.00 0.00 C ATOM 0 H VAL A 33 -5.218 1.133 5.521 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.106 -1.197 7.290 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.491 -0.513 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.702 -2.810 4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.612 -1.912 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.731 -3.124 5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.106 -2.426 4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.184 -2.656 5.831 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.817 -1.162 5.099 1.00 0.00 H new ATOM 520 N PHE A 34 -2.631 0.814 6.916 1.00 0.00 N ATOM 521 CA PHE A 34 -1.245 1.082 7.246 1.00 0.00 C ATOM 522 C PHE A 34 -1.111 2.122 8.335 1.00 0.00 C ATOM 523 O PHE A 34 -0.250 1.994 9.203 1.00 0.00 O ATOM 524 CB PHE A 34 -0.529 1.535 5.976 1.00 0.00 C ATOM 525 CG PHE A 34 0.000 0.395 5.151 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.161 -0.269 5.572 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.651 0.005 3.979 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.665 -1.332 4.813 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.152 -1.057 3.219 1.00 0.00 C ATOM 530 CZ PHE A 34 1.007 -1.730 3.642 1.00 0.00 C ATOM 0 H PHE A 34 -3.155 1.638 6.621 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.791 0.170 7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.217 2.124 5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.298 2.191 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.664 0.038 6.477 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.542 0.525 3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.561 -1.845 5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.654 -1.359 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.391 -2.556 3.063 1.00 0.00 H new ATOM 540 N GLU A 35 -1.949 3.159 8.324 1.00 0.00 N ATOM 541 CA GLU A 35 -1.862 4.165 9.359 1.00 0.00 C ATOM 542 C GLU A 35 -2.273 3.574 10.703 1.00 0.00 C ATOM 543 O GLU A 35 -1.979 4.144 11.750 1.00 0.00 O ATOM 544 CB GLU A 35 -2.717 5.392 9.014 1.00 0.00 C ATOM 545 CG GLU A 35 -4.189 5.264 9.402 1.00 0.00 C ATOM 546 CD GLU A 35 -4.451 5.613 10.867 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.919 6.656 11.317 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.181 4.846 11.533 1.00 0.00 O ATOM 0 H GLU A 35 -2.675 3.315 7.625 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.826 4.497 9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.297 6.265 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.651 5.576 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.785 5.918 8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.522 4.244 9.212 1.00 0.00 H new ATOM 555 N LYS A 36 -2.953 2.421 10.668 1.00 0.00 N ATOM 556 CA LYS A 36 -3.457 1.769 11.860 1.00 0.00 C ATOM 557 C LYS A 36 -2.328 1.410 12.812 1.00 0.00 C ATOM 558 O LYS A 36 -2.515 1.413 14.026 1.00 0.00 O ATOM 559 CB LYS A 36 -4.221 0.506 11.459 1.00 0.00 C ATOM 560 CG LYS A 36 -3.299 -0.530 10.804 1.00 0.00 C ATOM 561 CD LYS A 36 -4.078 -1.663 10.129 1.00 0.00 C ATOM 562 CE LYS A 36 -5.152 -2.232 11.046 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.738 -3.465 10.487 1.00 0.00 N ATOM 0 H LYS A 36 -3.164 1.921 9.804 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.124 2.459 12.377 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.691 0.070 12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.022 0.769 10.768 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.669 -0.035 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.635 -0.950 11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.540 -1.292 9.214 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.389 -2.456 9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.722 -2.443 12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.936 -1.490 11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.466 -3.828 11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.169 -3.257 9.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.993 -4.181 10.368 1.00 0.00 H new ATOM 577 N TYR A 37 -1.152 1.104 12.264 1.00 0.00 N ATOM 578 CA TYR A 37 -0.005 0.762 13.078 1.00 0.00 C ATOM 579 C TYR A 37 0.617 2.003 13.710 1.00 0.00 C ATOM 580 O TYR A 37 1.324 1.900 14.710 1.00 0.00 O ATOM 581 CB TYR A 37 1.025 0.050 12.212 1.00 0.00 C ATOM 582 CG TYR A 37 0.517 -1.256 11.649 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.648 -2.431 12.403 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.090 -1.291 10.388 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.168 -3.644 11.893 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.570 -2.499 9.873 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.446 -3.686 10.627 1.00 0.00 C ATOM 588 OH TYR A 37 -0.914 -4.868 10.137 1.00 0.00 O ATOM 0 H TYR A 37 -0.977 1.088 11.259 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.334 0.107 13.885 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.317 0.705 11.391 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.921 -0.139 12.803 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.118 -2.401 13.375 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.188 -0.383 9.812 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.269 -4.550 12.473 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.035 -2.524 8.899 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.973 -4.817 9.160 1.00 0.00 H new ATOM 598 N GLY A 38 0.357 3.180 13.130 1.00 0.00 N ATOM 599 CA GLY A 38 0.833 4.439 13.684 1.00 0.00 C ATOM 600 C GLY A 38 0.299 5.640 12.913 1.00 0.00 C ATOM 601 O GLY A 38 -0.493 6.415 13.450 1.00 0.00 O ATOM 0 H GLY A 38 -0.185 3.280 12.272 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.529 4.514 14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.923 4.453 13.668 1.00 0.00 H new ATOM 605 N ARG A 39 0.724 5.794 11.656 1.00 0.00 N ATOM 606 CA ARG A 39 0.242 6.863 10.789 1.00 0.00 C ATOM 607 C ARG A 39 0.705 6.630 9.360 1.00 0.00 C ATOM 608 O ARG A 39 1.558 5.789 9.107 1.00 0.00 O ATOM 609 CB ARG A 39 0.781 8.214 11.288 1.00 0.00 C ATOM 610 CG ARG A 39 -0.137 9.388 10.950 1.00 0.00 C ATOM 611 CD ARG A 39 -1.482 9.222 11.654 1.00 0.00 C ATOM 612 NE ARG A 39 -2.289 10.446 11.542 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.626 10.483 11.568 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.348 9.372 11.676 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.253 11.653 11.490 1.00 0.00 N ATOM 0 H ARG A 39 1.410 5.181 11.215 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.848 6.872 10.812 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.918 8.167 12.368 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.763 8.391 10.850 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.329 10.324 11.256 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.287 9.444 9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.024 8.383 11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.320 8.984 12.705 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.793 11.331 11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.884 8.466 11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.366 9.425 11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.715 12.516 11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.272 11.688 11.509 1.00 0.00 H new ATOM 629 N VAL A 40 0.131 7.392 8.430 1.00 0.00 N ATOM 630 CA VAL A 40 0.523 7.378 7.032 1.00 0.00 C ATOM 631 C VAL A 40 0.732 8.817 6.583 1.00 0.00 C ATOM 632 O VAL A 40 -0.223 9.535 6.283 1.00 0.00 O ATOM 633 CB VAL A 40 -0.553 6.685 6.193 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.277 6.843 4.707 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.562 5.183 6.445 1.00 0.00 C ATOM 0 H VAL A 40 -0.628 8.042 8.634 1.00 0.00 H new ATOM 0 HA VAL A 40 1.450 6.821 6.899 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.498 7.147 6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.058 6.340 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.264 7.902 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.690 6.400 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.336 4.716 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.409 4.764 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.765 4.992 7.499 1.00 0.00 H new ATOM 645 N GLY A 41 2.001 9.228 6.540 1.00 0.00 N ATOM 646 CA GLY A 41 2.390 10.553 6.090 1.00 0.00 C ATOM 647 C GLY A 41 1.987 10.817 4.642 1.00 0.00 C ATOM 648 O GLY A 41 1.783 11.969 4.263 1.00 0.00 O ATOM 0 H GLY A 41 2.788 8.642 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.930 11.302 6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.470 10.665 6.190 1.00 0.00 H new ATOM 652 N ASP A 42 1.870 9.763 3.833 1.00 0.00 N ATOM 653 CA ASP A 42 1.509 9.861 2.430 1.00 0.00 C ATOM 654 C ASP A 42 0.907 8.539 1.969 1.00 0.00 C ATOM 655 O ASP A 42 1.374 7.469 2.354 1.00 0.00 O ATOM 656 CB ASP A 42 2.768 10.130 1.601 1.00 0.00 C ATOM 657 CG ASP A 42 3.210 11.589 1.653 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.443 12.447 1.161 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.316 11.838 2.185 1.00 0.00 O ATOM 0 H ASP A 42 2.027 8.805 4.145 1.00 0.00 H new ATOM 0 HA ASP A 42 0.789 10.669 2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.578 9.497 1.963 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.582 9.848 0.565 1.00 0.00 H new ATOM 664 N VAL A 43 -0.135 8.601 1.137 1.00 0.00 N ATOM 665 CA VAL A 43 -0.744 7.407 0.572 1.00 0.00 C ATOM 666 C VAL A 43 -1.281 7.773 -0.803 1.00 0.00 C ATOM 667 O VAL A 43 -2.190 8.595 -0.929 1.00 0.00 O ATOM 668 CB VAL A 43 -1.808 6.851 1.535 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.245 7.257 1.223 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.730 5.331 1.624 1.00 0.00 C ATOM 0 H VAL A 43 -0.573 9.474 0.842 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.023 6.600 0.445 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.561 7.309 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.916 6.814 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.332 8.343 1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.515 6.904 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.494 4.967 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.895 4.900 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.745 5.038 1.988 1.00 0.00 H new ATOM 680 N TYR A 44 -0.722 7.169 -1.851 1.00 0.00 N ATOM 681 CA TYR A 44 -1.204 7.427 -3.200 1.00 0.00 C ATOM 682 C TYR A 44 -0.860 6.276 -4.135 1.00 0.00 C ATOM 683 O TYR A 44 -0.065 5.406 -3.794 1.00 0.00 O ATOM 684 CB TYR A 44 -0.616 8.737 -3.728 1.00 0.00 C ATOM 685 CG TYR A 44 0.751 8.612 -4.358 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.908 8.742 -3.578 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.855 8.372 -5.734 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.170 8.663 -4.184 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.109 8.278 -6.346 1.00 0.00 C ATOM 690 CZ TYR A 44 3.277 8.436 -5.573 1.00 0.00 C ATOM 691 OH TYR A 44 4.504 8.374 -6.161 1.00 0.00 O ATOM 0 H TYR A 44 0.053 6.508 -1.791 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.290 7.516 -3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.302 9.156 -4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.557 9.450 -2.905 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.828 8.903 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.040 8.259 -6.327 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.062 8.776 -3.586 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.182 8.085 -7.406 1.00 0.00 H new ATOM 0 HH TYR A 44 4.938 7.528 -5.924 1.00 0.00 H new ATOM 701 N ILE A 45 -1.471 6.287 -5.323 1.00 0.00 N ATOM 702 CA ILE A 45 -1.247 5.277 -6.343 1.00 0.00 C ATOM 703 C ILE A 45 -0.795 6.000 -7.616 1.00 0.00 C ATOM 704 O ILE A 45 -1.550 6.806 -8.156 1.00 0.00 O ATOM 705 CB ILE A 45 -2.535 4.472 -6.585 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.851 3.449 -5.485 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.382 3.649 -7.866 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.074 4.056 -4.108 1.00 0.00 C ATOM 0 H ILE A 45 -2.139 7.006 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.481 4.569 -6.028 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.332 5.214 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.742 2.890 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.031 2.733 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.293 3.077 -8.042 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.205 4.317 -8.709 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.539 2.966 -7.761 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.291 3.264 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.177 4.591 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.914 4.749 -4.148 1.00 0.00 H new ATOM 720 N PRO A 46 0.428 5.719 -8.095 1.00 0.00 N ATOM 721 CA PRO A 46 1.007 6.259 -9.324 1.00 0.00 C ATOM 722 C PRO A 46 0.332 5.703 -10.585 1.00 0.00 C ATOM 723 O PRO A 46 1.007 5.348 -11.551 1.00 0.00 O ATOM 724 CB PRO A 46 2.493 5.901 -9.262 1.00 0.00 C ATOM 725 CG PRO A 46 2.515 4.639 -8.414 1.00 0.00 C ATOM 726 CD PRO A 46 1.371 4.837 -7.432 1.00 0.00 C ATOM 0 HA PRO A 46 0.856 7.336 -9.390 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.906 5.725 -10.255 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.080 6.700 -8.809 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.369 3.746 -9.022 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.468 4.521 -7.898 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.904 3.885 -7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.727 5.275 -6.500 1.00 0.00 H new ATOM 900 N GLY A 56 -0.203 -1.414 -11.172 1.00 0.00 N ATOM 901 CA GLY A 56 -0.330 -2.582 -10.313 1.00 0.00 C ATOM 902 C GLY A 56 0.401 -2.407 -8.985 1.00 0.00 C ATOM 903 O GLY A 56 0.711 -3.396 -8.320 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.385 -2.776 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.066 -3.456 -10.831 1.00 0.00 H new ATOM 907 N PHE A 57 0.687 -1.164 -8.586 1.00 0.00 N ATOM 908 CA PHE A 57 1.373 -0.877 -7.338 1.00 0.00 C ATOM 909 C PHE A 57 0.949 0.482 -6.792 1.00 0.00 C ATOM 910 O PHE A 57 0.485 1.343 -7.540 1.00 0.00 O ATOM 911 CB PHE A 57 2.882 -0.900 -7.561 1.00 0.00 C ATOM 912 CG PHE A 57 3.448 0.311 -8.261 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.178 0.549 -9.616 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.252 1.206 -7.539 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.707 1.686 -10.246 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.781 2.342 -8.169 1.00 0.00 C ATOM 917 CZ PHE A 57 4.497 2.591 -9.522 1.00 0.00 C ATOM 0 H PHE A 57 0.446 -0.332 -9.125 1.00 0.00 H new ATOM 0 HA PHE A 57 1.104 -1.641 -6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.374 -1.004 -6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.133 -1.787 -8.143 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.564 -0.142 -10.174 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.464 1.020 -6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.505 1.865 -11.292 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.407 3.025 -7.614 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.886 3.476 -10.003 1.00 0.00 H new ATOM 927 N ALA A 58 1.115 0.654 -5.481 1.00 0.00 N ATOM 928 CA ALA A 58 0.782 1.878 -4.782 1.00 0.00 C ATOM 929 C ALA A 58 2.066 2.560 -4.341 1.00 0.00 C ATOM 930 O ALA A 58 3.146 2.259 -4.850 1.00 0.00 O ATOM 931 CB ALA A 58 -0.113 1.546 -3.587 1.00 0.00 C ATOM 0 H ALA A 58 1.492 -0.071 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 58 0.238 2.559 -5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.367 2.464 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.026 1.065 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.415 0.872 -2.913 1.00 0.00 H new ATOM 937 N PHE A 59 1.940 3.477 -3.393 1.00 0.00 N ATOM 938 CA PHE A 59 3.059 4.205 -2.844 1.00 0.00 C ATOM 939 C PHE A 59 2.611 4.791 -1.527 1.00 0.00 C ATOM 940 O PHE A 59 2.460 6.004 -1.387 1.00 0.00 O ATOM 941 CB PHE A 59 3.494 5.262 -3.856 1.00 0.00 C ATOM 942 CG PHE A 59 4.984 5.518 -3.936 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.761 5.708 -2.783 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.588 5.566 -5.198 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.135 5.967 -2.900 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.961 5.813 -5.318 1.00 0.00 C ATOM 947 CZ PHE A 59 7.734 6.026 -4.169 1.00 0.00 C ATOM 0 H PHE A 59 1.043 3.735 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 59 3.925 3.571 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.142 4.961 -4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.995 6.200 -3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.302 5.655 -1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.991 5.412 -6.085 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.732 6.121 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.423 5.839 -6.294 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.790 6.235 -4.259 1.00 0.00 H new ATOM 957 N VAL A 60 2.396 3.910 -0.543 1.00 0.00 N ATOM 958 CA VAL A 60 2.205 4.498 0.776 1.00 0.00 C ATOM 959 C VAL A 60 3.589 4.892 1.258 1.00 0.00 C ATOM 960 O VAL A 60 4.524 4.108 1.094 1.00 0.00 O ATOM 961 CB VAL A 60 1.486 3.616 1.800 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.398 2.720 1.208 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.403 2.899 2.792 1.00 0.00 C ATOM 0 H VAL A 60 2.353 2.894 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 60 1.529 5.347 0.680 1.00 0.00 H new ATOM 0 HB VAL A 60 0.947 4.337 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.059 2.130 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.363 3.338 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.839 2.052 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.802 2.300 3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.090 2.250 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.972 3.636 3.359 1.00 0.00 H new ATOM 973 N ARG A 61 3.724 6.080 1.844 1.00 0.00 N ATOM 974 CA ARG A 61 4.986 6.542 2.374 1.00 0.00 C ATOM 975 C ARG A 61 4.810 7.025 3.782 1.00 0.00 C ATOM 976 O ARG A 61 3.886 7.766 4.119 1.00 0.00 O ATOM 977 CB ARG A 61 5.624 7.569 1.440 1.00 0.00 C ATOM 978 CG ARG A 61 6.497 8.575 2.196 1.00 0.00 C ATOM 979 CD ARG A 61 7.158 9.518 1.198 1.00 0.00 C ATOM 980 NE ARG A 61 6.176 10.422 0.587 1.00 0.00 N ATOM 981 CZ ARG A 61 5.956 10.541 -0.723 1.00 0.00 C ATOM 982 NH1 ARG A 61 6.637 9.810 -1.604 1.00 0.00 N ATOM 983 NH2 ARG A 61 5.046 11.402 -1.169 1.00 0.00 N ATOM 0 H ARG A 61 2.957 6.742 1.960 1.00 0.00 H new ATOM 0 HA ARG A 61 5.691 5.712 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.229 7.053 0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.841 8.103 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.890 9.142 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.256 8.051 2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.929 10.102 1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.655 8.938 0.420 1.00 0.00 H new ATOM 0 HE ARG A 61 5.619 11.004 1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.340 9.146 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.455 9.914 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.516 11.972 -0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.878 11.493 -2.171 1.00 0.00 H new ATOM 997 N PHE A 62 5.746 6.564 4.606 1.00 0.00 N ATOM 998 CA PHE A 62 5.713 6.870 6.026 1.00 0.00 C ATOM 999 C PHE A 62 6.771 7.906 6.344 1.00 0.00 C ATOM 1000 O PHE A 62 7.867 7.853 5.791 1.00 0.00 O ATOM 1001 CB PHE A 62 5.929 5.608 6.851 1.00 0.00 C ATOM 1002 CG PHE A 62 4.679 4.784 7.033 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.760 4.603 5.987 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.431 4.207 8.284 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.588 3.867 6.189 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.279 3.448 8.489 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.363 3.282 7.446 1.00 0.00 C ATOM 0 H PHE A 62 6.531 5.981 4.314 1.00 0.00 H new ATOM 0 HA PHE A 62 4.733 7.273 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.691 4.995 6.369 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.316 5.887 7.831 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.960 5.036 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.133 4.350 9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.868 3.750 5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.095 2.990 9.450 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.470 2.696 7.609 1.00 0.00 H new ATOM 1017 N HIS A 63 6.399 8.826 7.238 1.00 0.00 N ATOM 1018 CA HIS A 63 7.204 9.949 7.695 1.00 0.00 C ATOM 1019 C HIS A 63 8.068 9.560 8.894 1.00 0.00 C ATOM 1020 O HIS A 63 8.901 10.351 9.338 1.00 0.00 O ATOM 1021 CB HIS A 63 6.233 11.065 8.093 1.00 0.00 C ATOM 1022 CG HIS A 63 5.188 10.597 9.080 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.387 9.606 10.044 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.901 11.043 9.170 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.215 9.475 10.684 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.311 10.336 10.190 1.00 0.00 N ATOM 0 H HIS A 63 5.481 8.801 7.682 1.00 0.00 H new ATOM 0 HA HIS A 63 7.879 10.272 6.902 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.794 11.893 8.527 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.739 11.448 7.200 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.437 11.803 8.559 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.025 8.775 11.484 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.351 10.446 10.516 1.00 0.00 H new ATOM 1034 N ASP A 64 7.874 8.347 9.421 1.00 0.00 N ATOM 1035 CA ASP A 64 8.576 7.867 10.597 1.00 0.00 C ATOM 1036 C ASP A 64 8.798 6.362 10.471 1.00 0.00 C ATOM 1037 O ASP A 64 7.849 5.579 10.448 1.00 0.00 O ATOM 1038 CB ASP A 64 7.770 8.207 11.857 1.00 0.00 C ATOM 1039 CG ASP A 64 8.547 7.910 13.138 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.491 7.092 13.076 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.187 8.508 14.177 1.00 0.00 O ATOM 0 H ASP A 64 7.217 7.670 9.033 1.00 0.00 H new ATOM 0 HA ASP A 64 9.548 8.355 10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.496 9.262 11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.841 7.636 11.857 1.00 0.00 H new ATOM 1046 N LYS A 65 10.072 5.971 10.389 1.00 0.00 N ATOM 1047 CA LYS A 65 10.475 4.580 10.246 1.00 0.00 C ATOM 1048 C LYS A 65 9.940 3.686 11.357 1.00 0.00 C ATOM 1049 O LYS A 65 9.800 2.490 11.144 1.00 0.00 O ATOM 1050 CB LYS A 65 12.000 4.511 10.190 1.00 0.00 C ATOM 1051 CG LYS A 65 12.636 4.871 11.534 1.00 0.00 C ATOM 1052 CD LYS A 65 14.090 5.302 11.347 1.00 0.00 C ATOM 1053 CE LYS A 65 14.899 4.217 10.641 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.273 4.685 10.367 1.00 0.00 N ATOM 0 H LYS A 65 10.857 6.622 10.421 1.00 0.00 H new ATOM 0 HA LYS A 65 10.042 4.201 9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.308 3.506 9.900 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.366 5.191 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.071 5.675 12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.589 4.013 12.205 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.127 6.224 10.766 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.536 5.519 12.318 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.932 3.320 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.410 3.942 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.807 3.933 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.238 5.527 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.743 4.925 11.263 1.00 0.00 H new ATOM 1068 N ARG A 66 9.637 4.232 12.539 1.00 0.00 N ATOM 1069 CA ARG A 66 9.144 3.416 13.638 1.00 0.00 C ATOM 1070 C ARG A 66 7.756 2.882 13.304 1.00 0.00 C ATOM 1071 O ARG A 66 7.496 1.686 13.438 1.00 0.00 O ATOM 1072 CB ARG A 66 9.101 4.257 14.916 1.00 0.00 C ATOM 1073 CG ARG A 66 10.495 4.727 15.343 1.00 0.00 C ATOM 1074 CD ARG A 66 11.436 3.556 15.651 1.00 0.00 C ATOM 1075 NE ARG A 66 10.930 2.742 16.763 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.134 3.020 18.054 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.828 4.095 18.425 1.00 0.00 N ATOM 1078 NH2 ARG A 66 10.638 2.214 18.987 1.00 0.00 N ATOM 0 H ARG A 66 9.725 5.226 12.752 1.00 0.00 H new ATOM 0 HA ARG A 66 9.812 2.569 13.793 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.459 5.124 14.758 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.654 3.672 15.720 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.928 5.339 14.552 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.408 5.361 16.225 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.547 2.933 14.763 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.426 3.938 15.899 1.00 0.00 H new ATOM 0 HE ARG A 66 10.387 1.909 16.535 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.214 4.722 17.719 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.974 4.291 19.415 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.105 1.388 18.716 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.791 2.422 19.974 1.00 0.00 H new ATOM 1092 N ASP A 67 6.866 3.770 12.862 1.00 0.00 N ATOM 1093 CA ASP A 67 5.522 3.369 12.476 1.00 0.00 C ATOM 1094 C ASP A 67 5.592 2.492 11.229 1.00 0.00 C ATOM 1095 O ASP A 67 4.724 1.649 11.015 1.00 0.00 O ATOM 1096 CB ASP A 67 4.662 4.605 12.207 1.00 0.00 C ATOM 1097 CG ASP A 67 4.509 5.480 13.449 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.407 4.909 14.558 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.490 6.720 13.283 1.00 0.00 O ATOM 0 H ASP A 67 7.055 4.768 12.764 1.00 0.00 H new ATOM 0 HA ASP A 67 5.067 2.801 13.288 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.111 5.191 11.405 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.677 4.292 11.861 1.00 0.00 H new ATOM 1104 N ALA A 68 6.626 2.688 10.407 1.00 0.00 N ATOM 1105 CA ALA A 68 6.797 1.917 9.190 1.00 0.00 C ATOM 1106 C ALA A 68 7.372 0.536 9.483 1.00 0.00 C ATOM 1107 O ALA A 68 7.037 -0.417 8.786 1.00 0.00 O ATOM 1108 CB ALA A 68 7.752 2.684 8.275 1.00 0.00 C ATOM 0 H ALA A 68 7.357 3.380 10.571 1.00 0.00 H new ATOM 0 HA ALA A 68 5.826 1.777 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.898 2.125 7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.329 3.662 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.711 2.813 8.776 1.00 0.00 H new ATOM 1114 N GLU A 69 8.228 0.413 10.500 1.00 0.00 N ATOM 1115 CA GLU A 69 8.831 -0.853 10.880 1.00 0.00 C ATOM 1116 C GLU A 69 7.768 -1.860 11.277 1.00 0.00 C ATOM 1117 O GLU A 69 7.777 -2.991 10.789 1.00 0.00 O ATOM 1118 CB GLU A 69 9.761 -0.641 12.075 1.00 0.00 C ATOM 1119 CG GLU A 69 11.179 -0.309 11.617 1.00 0.00 C ATOM 1120 CD GLU A 69 12.106 -0.124 12.818 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.502 -1.156 13.407 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.422 1.047 13.133 1.00 0.00 O ATOM 0 H GLU A 69 8.520 1.198 11.083 1.00 0.00 H new ATOM 0 HA GLU A 69 9.387 -1.233 10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.378 0.167 12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.776 -1.540 12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.557 -1.108 10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.169 0.600 11.016 1.00 0.00 H new ATOM 1129 N ASP A 70 6.846 -1.466 12.160 1.00 0.00 N ATOM 1130 CA ASP A 70 5.843 -2.411 12.620 1.00 0.00 C ATOM 1131 C ASP A 70 4.836 -2.714 11.518 1.00 0.00 C ATOM 1132 O ASP A 70 4.470 -3.873 11.317 1.00 0.00 O ATOM 1133 CB ASP A 70 5.135 -1.858 13.854 1.00 0.00 C ATOM 1134 CG ASP A 70 6.112 -1.518 14.978 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.966 -2.383 15.284 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.998 -0.396 15.524 1.00 0.00 O ATOM 0 H ASP A 70 6.778 -0.529 12.556 1.00 0.00 H new ATOM 0 HA ASP A 70 6.341 -3.344 12.885 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.575 -0.964 13.579 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.411 -2.589 14.213 1.00 0.00 H new ATOM 1141 N ALA A 71 4.383 -1.686 10.793 1.00 0.00 N ATOM 1142 CA ALA A 71 3.424 -1.878 9.726 1.00 0.00 C ATOM 1143 C ALA A 71 3.998 -2.808 8.663 1.00 0.00 C ATOM 1144 O ALA A 71 3.332 -3.743 8.242 1.00 0.00 O ATOM 1145 CB ALA A 71 3.057 -0.523 9.118 1.00 0.00 C ATOM 0 H ALA A 71 4.671 -0.718 10.933 1.00 0.00 H new ATOM 0 HA ALA A 71 2.522 -2.339 10.129 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.335 -0.668 8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.621 0.115 9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.953 -0.049 8.719 1.00 0.00 H new ATOM 1151 N MET A 72 5.233 -2.558 8.222 1.00 0.00 N ATOM 1152 CA MET A 72 5.884 -3.361 7.198 1.00 0.00 C ATOM 1153 C MET A 72 6.088 -4.798 7.664 1.00 0.00 C ATOM 1154 O MET A 72 5.880 -5.728 6.890 1.00 0.00 O ATOM 1155 CB MET A 72 7.226 -2.702 6.876 1.00 0.00 C ATOM 1156 CG MET A 72 8.127 -3.587 6.017 1.00 0.00 C ATOM 1157 SD MET A 72 9.525 -2.699 5.279 1.00 0.00 S ATOM 1158 CE MET A 72 10.069 -1.728 6.705 1.00 0.00 C ATOM 0 H MET A 72 5.807 -1.790 8.569 1.00 0.00 H new ATOM 0 HA MET A 72 5.256 -3.406 6.308 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.048 -1.760 6.357 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.740 -2.462 7.806 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.509 -4.405 6.628 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.531 -4.035 5.222 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.120 -1.465 6.586 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.473 -0.818 6.775 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.943 -2.315 7.615 1.00 0.00 H new ATOM 1168 N ASP A 73 6.487 -4.988 8.924 1.00 0.00 N ATOM 1169 CA ASP A 73 6.675 -6.321 9.472 1.00 0.00 C ATOM 1170 C ASP A 73 5.337 -7.000 9.768 1.00 0.00 C ATOM 1171 O ASP A 73 5.306 -8.151 10.201 1.00 0.00 O ATOM 1172 CB ASP A 73 7.552 -6.240 10.718 1.00 0.00 C ATOM 1173 CG ASP A 73 8.095 -7.617 11.102 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.756 -8.232 10.236 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.843 -8.040 12.254 1.00 0.00 O ATOM 0 H ASP A 73 6.685 -4.231 9.579 1.00 0.00 H new ATOM 0 HA ASP A 73 7.179 -6.939 8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.382 -5.556 10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.975 -5.830 11.546 1.00 0.00 H new ATOM 1180 N ALA A 74 4.227 -6.291 9.536 1.00 0.00 N ATOM 1181 CA ALA A 74 2.887 -6.821 9.734 1.00 0.00 C ATOM 1182 C ALA A 74 2.019 -6.669 8.480 1.00 0.00 C ATOM 1183 O ALA A 74 0.823 -6.957 8.533 1.00 0.00 O ATOM 1184 CB ALA A 74 2.259 -6.110 10.932 1.00 0.00 C ATOM 0 H ALA A 74 4.241 -5.327 9.203 1.00 0.00 H new ATOM 0 HA ALA A 74 2.952 -7.891 9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.252 -6.494 11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.865 -6.289 11.820 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.211 -5.039 10.735 1.00 0.00 H new ATOM 1190 N MET A 75 2.604 -6.224 7.362 1.00 0.00 N ATOM 1191 CA MET A 75 1.863 -6.002 6.126 1.00 0.00 C ATOM 1192 C MET A 75 2.578 -6.546 4.891 1.00 0.00 C ATOM 1193 O MET A 75 1.941 -6.728 3.855 1.00 0.00 O ATOM 1194 CB MET A 75 1.613 -4.506 5.932 1.00 0.00 C ATOM 1195 CG MET A 75 0.519 -3.991 6.864 1.00 0.00 C ATOM 1196 SD MET A 75 -1.095 -4.777 6.614 1.00 0.00 S ATOM 1197 CE MET A 75 -1.216 -4.590 4.814 1.00 0.00 C ATOM 0 H MET A 75 3.599 -6.010 7.294 1.00 0.00 H new ATOM 0 HA MET A 75 0.923 -6.545 6.228 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.536 -3.956 6.115 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.329 -4.316 4.897 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.832 -4.148 7.896 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.413 -2.915 6.723 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.222 -4.854 4.488 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.006 -3.556 4.541 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.493 -5.247 4.331 1.00 0.00 H new ATOM 1207 N ASP A 76 3.884 -6.810 4.963 1.00 0.00 N ATOM 1208 CA ASP A 76 4.588 -7.407 3.838 1.00 0.00 C ATOM 1209 C ASP A 76 4.037 -8.807 3.570 1.00 0.00 C ATOM 1210 O ASP A 76 4.108 -9.681 4.434 1.00 0.00 O ATOM 1211 CB ASP A 76 6.086 -7.448 4.140 1.00 0.00 C ATOM 1212 CG ASP A 76 6.879 -8.028 2.978 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.523 -7.719 1.819 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.842 -8.777 3.261 1.00 0.00 O ATOM 0 H ASP A 76 4.465 -6.621 5.780 1.00 0.00 H new ATOM 0 HA ASP A 76 4.435 -6.806 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.441 -6.440 4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.261 -8.046 5.034 1.00 0.00 H new ATOM 1219 N GLY A 77 3.485 -9.018 2.373 1.00 0.00 N ATOM 1220 CA GLY A 77 2.895 -10.284 1.969 1.00 0.00 C ATOM 1221 C GLY A 77 1.644 -10.623 2.782 1.00 0.00 C ATOM 1222 O GLY A 77 1.320 -11.797 2.959 1.00 0.00 O ATOM 0 H GLY A 77 3.438 -8.300 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.638 -10.242 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.630 -11.080 2.087 1.00 0.00 H new ATOM 1226 N ALA A 78 0.940 -9.602 3.278 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.215 -9.784 4.148 1.00 0.00 C ATOM 1228 C ALA A 78 -1.511 -10.022 3.362 1.00 0.00 C ATOM 1229 O ALA A 78 -2.569 -10.153 3.974 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.343 -8.570 5.064 1.00 0.00 C ATOM 0 H ALA A 78 1.159 -8.625 3.084 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.055 -10.682 4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.205 -8.698 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.560 -8.473 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.475 -7.672 4.461 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.416 -10.076 2.028 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.520 -10.357 1.115 1.00 0.00 C ATOM 1238 C VAL A 79 -3.881 -9.861 1.631 1.00 0.00 C ATOM 1239 O VAL A 79 -4.746 -10.645 2.008 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.498 -11.845 0.720 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.446 -12.781 1.924 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.622 -12.207 -0.230 1.00 0.00 C ATOM 0 H VAL A 79 -0.534 -9.919 1.541 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.372 -9.774 0.206 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.564 -11.993 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.433 -13.815 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.545 -12.579 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.323 -12.618 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.562 -13.267 -0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.581 -11.999 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.533 -11.616 -1.141 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.066 -8.537 1.645 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.330 -7.933 2.048 1.00 0.00 C ATOM 1254 C LEU A 80 -6.427 -8.084 0.982 1.00 0.00 C ATOM 1255 O LEU A 80 -7.556 -7.657 1.219 1.00 0.00 O ATOM 1256 CB LEU A 80 -5.120 -6.469 2.450 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.582 -5.553 1.340 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.615 -5.231 0.264 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.146 -4.231 1.956 1.00 0.00 C ATOM 0 H LEU A 80 -3.348 -7.863 1.379 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.688 -8.479 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.070 -6.066 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.429 -6.436 3.292 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.758 -6.091 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.167 -4.581 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.948 -6.155 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.468 -4.727 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.763 -3.575 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.999 -3.757 2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.364 -4.413 2.693 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.119 -8.669 -0.184 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.121 -8.864 -1.227 1.00 0.00 C ATOM 1273 C ASP A 81 -7.017 -10.245 -1.889 1.00 0.00 C ATOM 1274 O ASP A 81 -8.039 -10.831 -2.240 1.00 0.00 O ATOM 1275 CB ASP A 81 -6.975 -7.770 -2.288 1.00 0.00 C ATOM 1276 CG ASP A 81 -7.968 -7.986 -3.423 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.132 -7.554 -3.265 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.555 -8.579 -4.444 1.00 0.00 O ATOM 0 H ASP A 81 -5.188 -9.012 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.101 -8.805 -0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.140 -6.792 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.959 -7.772 -2.682 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.799 -10.773 -2.055 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.584 -12.095 -2.642 1.00 0.00 C ATOM 1285 C GLY A 82 -4.514 -12.090 -3.729 1.00 0.00 C ATOM 1286 O GLY A 82 -4.579 -12.882 -4.669 1.00 0.00 O ATOM 0 H GLY A 82 -4.939 -10.295 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.295 -12.794 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.522 -12.458 -3.063 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.531 -11.196 -3.594 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.433 -11.038 -4.548 1.00 0.00 C ATOM 1292 C ARG A 83 -1.082 -10.885 -3.845 1.00 0.00 C ATOM 1293 O ARG A 83 -0.047 -11.143 -4.457 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.723 -9.810 -5.413 1.00 0.00 C ATOM 1295 CG ARG A 83 -3.222 -8.675 -4.521 1.00 0.00 C ATOM 1296 CD ARG A 83 -3.048 -7.332 -5.205 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.574 -6.257 -4.355 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.950 -5.793 -3.273 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.799 -6.318 -2.875 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.484 -4.792 -2.581 1.00 0.00 N ATOM 0 H ARG A 83 -3.476 -10.552 -2.805 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.368 -11.935 -5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.822 -9.503 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.471 -10.051 -6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.274 -8.832 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.675 -8.681 -3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.993 -7.156 -5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.567 -7.334 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.470 -5.841 -4.608 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.381 -7.087 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.332 -5.953 -2.045 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.369 -4.381 -2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.009 -4.434 -1.752 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.105 -10.470 -2.571 1.00 0.00 N ATOM 1315 CA GLU A 84 0.008 -10.478 -1.624 1.00 0.00 C ATOM 1316 C GLU A 84 0.695 -9.115 -1.601 1.00 0.00 C ATOM 1317 O GLU A 84 1.607 -8.852 -2.378 1.00 0.00 O ATOM 1318 CB GLU A 84 0.973 -11.650 -1.855 1.00 0.00 C ATOM 1319 CG GLU A 84 1.155 -12.424 -0.551 1.00 0.00 C ATOM 1320 CD GLU A 84 2.294 -13.434 -0.669 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.461 -12.997 -0.554 1.00 0.00 O ATOM 1322 OE2 GLU A 84 1.995 -14.632 -0.872 1.00 0.00 O ATOM 0 H GLU A 84 -1.957 -10.097 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.396 -10.650 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.582 -12.309 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.935 -11.279 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.363 -11.729 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.230 -12.942 -0.299 1.00 0.00 H new ATOM 1329 N LEU A 85 0.232 -8.254 -0.688 1.00 0.00 N ATOM 1330 CA LEU A 85 0.736 -6.902 -0.477 1.00 0.00 C ATOM 1331 C LEU A 85 2.266 -6.921 -0.370 1.00 0.00 C ATOM 1332 O LEU A 85 2.857 -7.940 -0.011 1.00 0.00 O ATOM 1333 CB LEU A 85 0.078 -6.393 0.814 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.247 -4.895 0.899 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.987 -4.018 0.821 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.193 -4.461 -0.217 1.00 0.00 C ATOM 0 H LEU A 85 -0.532 -8.493 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 85 0.493 -6.241 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.849 -6.947 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.734 -6.643 1.648 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.719 -4.764 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.693 -2.970 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.657 -4.259 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.499 -4.193 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.400 -3.395 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.730 -4.658 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.126 -5.020 -0.141 1.00 0.00 H new ATOM 1348 N ARG A 86 2.915 -5.801 -0.678 1.00 0.00 N ATOM 1349 CA ARG A 86 4.358 -5.673 -0.600 1.00 0.00 C ATOM 1350 C ARG A 86 4.714 -4.404 0.157 1.00 0.00 C ATOM 1351 O ARG A 86 4.119 -3.356 -0.086 1.00 0.00 O ATOM 1352 CB ARG A 86 4.947 -5.605 -2.006 1.00 0.00 C ATOM 1353 CG ARG A 86 4.705 -6.888 -2.799 1.00 0.00 C ATOM 1354 CD ARG A 86 5.436 -8.068 -2.151 1.00 0.00 C ATOM 1355 NE ARG A 86 5.226 -9.307 -2.911 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.803 -10.456 -2.370 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.528 -10.545 -1.075 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.651 -11.535 -3.129 1.00 0.00 N ATOM 0 H ARG A 86 2.445 -4.952 -0.991 1.00 0.00 H new ATOM 0 HA ARG A 86 4.767 -6.538 -0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.509 -4.762 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.019 -5.418 -1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.636 -7.097 -2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.050 -6.758 -3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.503 -7.851 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.082 -8.201 -1.129 1.00 0.00 H new ATOM 0 HE ARG A 86 5.414 -9.291 -3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.638 -9.729 -0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.207 -11.430 -0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.857 -11.490 -4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.329 -12.409 -2.714 1.00 0.00 H new ATOM 1372 N VAL A 87 5.678 -4.494 1.071 1.00 0.00 N ATOM 1373 CA VAL A 87 6.087 -3.347 1.867 1.00 0.00 C ATOM 1374 C VAL A 87 7.602 -3.321 2.015 1.00 0.00 C ATOM 1375 O VAL A 87 8.231 -4.349 2.258 1.00 0.00 O ATOM 1376 CB VAL A 87 5.416 -3.409 3.240 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.618 -2.065 3.926 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.927 -3.742 3.138 1.00 0.00 C ATOM 0 H VAL A 87 6.189 -5.353 1.276 1.00 0.00 H new ATOM 0 HA VAL A 87 5.777 -2.432 1.362 1.00 0.00 H new ATOM 0 HB VAL A 87 5.872 -4.209 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.148 -2.084 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.685 -1.870 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.167 -1.277 3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.492 -3.775 4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.423 -2.977 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.803 -4.712 2.656 1.00 0.00 H new ATOM 1388 N GLN A 88 8.173 -2.126 1.864 1.00 0.00 N ATOM 1389 CA GLN A 88 9.609 -1.905 1.901 1.00 0.00 C ATOM 1390 C GLN A 88 9.912 -0.413 1.973 1.00 0.00 C ATOM 1391 O GLN A 88 9.151 0.411 1.473 1.00 0.00 O ATOM 1392 CB GLN A 88 10.248 -2.503 0.643 1.00 0.00 C ATOM 1393 CG GLN A 88 9.508 -2.088 -0.633 1.00 0.00 C ATOM 1394 CD GLN A 88 10.213 -2.578 -1.893 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.427 -2.766 -1.911 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.456 -2.798 -2.964 1.00 0.00 N ATOM 0 H GLN A 88 7.636 -1.272 1.710 1.00 0.00 H new ATOM 0 HA GLN A 88 10.021 -2.389 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.288 -2.183 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.253 -3.590 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.494 -2.486 -0.608 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.424 -1.002 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.450 -2.633 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.881 -3.131 -3.829 1.00 0.00 H new ATOM 1405 N MET A 89 11.033 -0.057 2.602 1.00 0.00 N ATOM 1406 CA MET A 89 11.496 1.316 2.684 1.00 0.00 C ATOM 1407 C MET A 89 11.580 1.947 1.294 1.00 0.00 C ATOM 1408 O MET A 89 12.045 1.321 0.344 1.00 0.00 O ATOM 1409 CB MET A 89 12.850 1.333 3.388 1.00 0.00 C ATOM 1410 CG MET A 89 12.624 1.024 4.869 1.00 0.00 C ATOM 1411 SD MET A 89 12.014 2.445 5.817 1.00 0.00 S ATOM 1412 CE MET A 89 11.258 1.579 7.211 1.00 0.00 C ATOM 0 H MET A 89 11.646 -0.724 3.071 1.00 0.00 H new ATOM 0 HA MET A 89 10.786 1.911 3.259 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.518 0.595 2.944 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.327 2.306 3.271 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.910 0.205 4.957 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.560 0.679 5.308 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.390 2.167 8.119 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.194 1.441 7.020 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.734 0.606 7.336 1.00 0.00 H new ATOM 1422 N ALA A 90 11.129 3.199 1.193 1.00 0.00 N ATOM 1423 CA ALA A 90 11.137 3.955 -0.051 1.00 0.00 C ATOM 1424 C ALA A 90 12.542 4.440 -0.409 1.00 0.00 C ATOM 1425 O ALA A 90 12.762 4.874 -1.539 1.00 0.00 O ATOM 1426 CB ALA A 90 10.189 5.148 0.092 1.00 0.00 C ATOM 0 H ALA A 90 10.745 3.717 1.983 1.00 0.00 H new ATOM 0 HA ALA A 90 10.805 3.302 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.186 5.723 -0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.181 4.789 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.524 5.783 0.912 1.00 0.00 H new