USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=16 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 Set 1.1: A 25 GLN : amide:sc= -1.05 K(o=-1.3,f=-3.2) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.227 K(o=-1.3,f=-2.9) USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -0.489 (180deg=-3.36) USER MOD Single : A 16 MET CE :methyl 133:sc= -0.673 (180deg=-2.57) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0941 USER MOD Single : A 21 TYR OH : rot 136:sc= 0.973 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.115) USER MOD Single : A 34 GLN : amide:sc= -2.82! C(o=-2.8!,f=-2.8!) USER MOD Single : A 36 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.48) USER MOD Single : A 43 LYS NZ :NH3+ -118:sc= -0.0721 (180deg=-0.363) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -148:sc= 0.54 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -77:sc= 0.547 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.52) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 81:sc= 0.00152 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N LEU A 13 -6.186 -18.447 -1.145 1.00 0.00 N ATOM 228 CA LEU A 13 -5.926 -17.030 -0.901 1.00 0.00 C ATOM 229 C LEU A 13 -5.368 -16.283 -2.124 1.00 0.00 C ATOM 230 O LEU A 13 -4.421 -16.737 -2.760 1.00 0.00 O ATOM 231 CB LEU A 13 -5.189 -16.815 0.431 1.00 0.00 C ATOM 232 CG LEU A 13 -3.654 -16.794 0.393 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.153 -15.358 0.248 1.00 0.00 C ATOM 234 CD2 LEU A 13 -3.102 -17.394 1.688 1.00 0.00 C ATOM 0 HA LEU A 13 -6.886 -16.533 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.529 -15.870 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.498 -17.602 1.118 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.312 -17.381 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.063 -15.354 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.540 -14.929 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.498 -14.765 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.012 -17.379 1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.452 -16.808 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.448 -18.423 1.789 1.00 0.00 H new ATOM 246 N LYS A 14 -6.011 -15.161 -2.479 1.00 0.00 N ATOM 247 CA LYS A 14 -5.892 -14.527 -3.794 1.00 0.00 C ATOM 248 C LYS A 14 -5.519 -13.042 -3.689 1.00 0.00 C ATOM 249 O LYS A 14 -5.595 -12.461 -2.608 1.00 0.00 O ATOM 250 CB LYS A 14 -7.199 -14.756 -4.567 1.00 0.00 C ATOM 251 CG LYS A 14 -8.331 -13.839 -4.090 1.00 0.00 C ATOM 252 CD LYS A 14 -8.493 -12.623 -5.013 1.00 0.00 C ATOM 253 CE LYS A 14 -9.100 -11.410 -4.308 1.00 0.00 C ATOM 254 NZ LYS A 14 -8.228 -10.939 -3.249 1.00 0.00 N ATOM 0 H LYS A 14 -6.638 -14.663 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.071 -14.986 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.023 -14.588 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.506 -15.796 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.265 -14.399 -4.056 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.125 -13.502 -3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.519 -12.350 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.124 -12.898 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.267 -10.611 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.073 -11.674 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.273 -9.901 -3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.534 -11.344 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.251 -11.234 -3.447 1.00 0.00 H new ATOM 267 N ARG A 15 -5.124 -12.426 -4.816 1.00 0.00 N ATOM 268 CA ARG A 15 -4.711 -11.022 -4.866 1.00 0.00 C ATOM 269 C ARG A 15 -5.808 -10.085 -5.387 1.00 0.00 C ATOM 270 O ARG A 15 -6.381 -10.304 -6.454 1.00 0.00 O ATOM 271 CB ARG A 15 -3.388 -10.841 -5.630 1.00 0.00 C ATOM 272 CG ARG A 15 -3.522 -10.914 -7.154 1.00 0.00 C ATOM 273 CD ARG A 15 -2.151 -10.831 -7.832 1.00 0.00 C ATOM 274 NE ARG A 15 -2.206 -11.376 -9.194 1.00 0.00 N ATOM 275 CZ ARG A 15 -1.258 -11.231 -10.135 1.00 0.00 C ATOM 276 NH1 ARG A 15 -0.168 -10.487 -9.903 1.00 0.00 N ATOM 277 NH2 ARG A 15 -1.408 -11.847 -11.315 1.00 0.00 N ATOM 0 H ARG A 15 -5.084 -12.895 -5.721 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.534 -10.725 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.956 -9.877 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.686 -11.607 -5.302 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.014 -11.845 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.155 -10.100 -7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.819 -9.793 -7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.417 -11.382 -7.245 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.036 -11.911 -9.448 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.050 -10.022 -9.003 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.544 -10.386 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.235 -12.418 -11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.696 -11.745 -12.038 1.00 0.00 H new ATOM 291 N MET A 16 -6.039 -8.999 -4.644 1.00 0.00 N ATOM 292 CA MET A 16 -6.669 -7.785 -5.143 1.00 0.00 C ATOM 293 C MET A 16 -5.742 -7.135 -6.167 1.00 0.00 C ATOM 294 O MET A 16 -4.554 -7.446 -6.240 1.00 0.00 O ATOM 295 CB MET A 16 -6.907 -6.826 -3.972 1.00 0.00 C ATOM 296 CG MET A 16 -7.964 -5.750 -4.247 1.00 0.00 C ATOM 297 SD MET A 16 -8.297 -4.658 -2.844 1.00 0.00 S ATOM 298 CE MET A 16 -6.664 -3.917 -2.633 1.00 0.00 C ATOM 0 H MET A 16 -5.786 -8.944 -3.658 1.00 0.00 H new ATOM 0 HA MET A 16 -7.624 -8.020 -5.614 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.211 -7.404 -3.099 1.00 0.00 H new ATOM 0 HB3 MET A 16 -5.966 -6.339 -3.719 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.638 -5.146 -5.094 1.00 0.00 H new ATOM 0 HG3 MET A 16 -8.893 -6.237 -4.542 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.765 -2.837 -2.527 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.191 -4.326 -1.740 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.048 -4.140 -3.504 1.00 0.00 H new ATOM 308 N TYR A 17 -6.293 -6.184 -6.915 1.00 0.00 N ATOM 309 CA TYR A 17 -5.521 -5.219 -7.676 1.00 0.00 C ATOM 310 C TYR A 17 -6.314 -3.921 -7.732 1.00 0.00 C ATOM 311 O TYR A 17 -7.084 -3.694 -8.665 1.00 0.00 O ATOM 312 CB TYR A 17 -5.162 -5.769 -9.061 1.00 0.00 C ATOM 313 CG TYR A 17 -4.389 -4.786 -9.915 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.051 -4.480 -9.600 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.029 -4.113 -10.974 1.00 0.00 C ATOM 316 CE1 TYR A 17 -2.346 -3.539 -10.369 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.328 -3.161 -11.730 1.00 0.00 C ATOM 318 CZ TYR A 17 -2.977 -2.897 -11.448 1.00 0.00 C ATOM 319 OH TYR A 17 -2.279 -2.015 -12.218 1.00 0.00 O ATOM 0 H TYR A 17 -7.302 -6.064 -7.008 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.566 -5.020 -7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.572 -6.678 -8.941 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.078 -6.050 -9.581 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.567 -4.969 -8.767 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.061 -4.330 -11.205 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.318 -3.309 -10.131 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.827 -2.631 -12.528 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.863 -1.662 -12.921 1.00 0.00 H new ATOM 329 N ALA A 18 -6.132 -3.083 -6.705 1.00 0.00 N ATOM 330 CA ALA A 18 -6.832 -1.823 -6.569 1.00 0.00 C ATOM 331 C ALA A 18 -5.963 -0.668 -7.026 1.00 0.00 C ATOM 332 O ALA A 18 -5.042 -0.246 -6.332 1.00 0.00 O ATOM 333 CB ALA A 18 -7.333 -1.619 -5.151 1.00 0.00 C ATOM 0 H ALA A 18 -5.484 -3.273 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.707 -1.854 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.854 -0.664 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.018 -2.425 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.488 -1.621 -4.463 1.00 0.00 H new ATOM 339 N ARG A 19 -6.300 -0.161 -8.209 1.00 0.00 N ATOM 340 CA ARG A 19 -5.623 0.937 -8.855 1.00 0.00 C ATOM 341 C ARG A 19 -6.268 2.241 -8.385 1.00 0.00 C ATOM 342 O ARG A 19 -7.350 2.600 -8.850 1.00 0.00 O ATOM 343 CB ARG A 19 -5.708 0.755 -10.383 1.00 0.00 C ATOM 344 CG ARG A 19 -4.325 0.729 -11.037 1.00 0.00 C ATOM 345 CD ARG A 19 -3.488 1.943 -10.614 1.00 0.00 C ATOM 346 NE ARG A 19 -2.724 2.507 -11.731 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.738 1.916 -12.426 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.333 0.674 -12.134 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.156 2.583 -13.431 1.00 0.00 N ATOM 0 H ARG A 19 -7.081 -0.523 -8.756 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.566 0.966 -8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.233 -0.173 -10.608 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.296 1.566 -10.812 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.806 -0.188 -10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.433 0.719 -12.122 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.145 2.709 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.803 1.650 -9.819 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.969 3.456 -12.012 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.775 0.159 -11.372 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.583 0.242 -12.673 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.463 3.528 -13.661 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.406 2.146 -13.967 1.00 0.00 H new ATOM 363 N VAL A 20 -5.619 2.932 -7.439 1.00 0.00 N ATOM 364 CA VAL A 20 -6.169 4.122 -6.811 1.00 0.00 C ATOM 365 C VAL A 20 -5.734 5.349 -7.613 1.00 0.00 C ATOM 366 O VAL A 20 -4.550 5.689 -7.638 1.00 0.00 O ATOM 367 CB VAL A 20 -5.784 4.189 -5.324 1.00 0.00 C ATOM 368 CG1 VAL A 20 -6.646 5.234 -4.606 1.00 0.00 C ATOM 369 CG2 VAL A 20 -5.998 2.834 -4.635 1.00 0.00 C ATOM 0 H VAL A 20 -4.695 2.674 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.258 4.089 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.730 4.460 -5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.367 5.275 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.488 6.211 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.697 4.960 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.717 2.912 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.047 2.549 -4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.381 2.078 -5.120 1.00 0.00 H new ATOM 379 N TYR A 21 -6.699 5.987 -8.288 1.00 0.00 N ATOM 380 CA TYR A 21 -6.472 7.171 -9.113 1.00 0.00 C ATOM 381 C TYR A 21 -6.785 8.423 -8.296 1.00 0.00 C ATOM 382 O TYR A 21 -7.686 8.397 -7.461 1.00 0.00 O ATOM 383 CB TYR A 21 -7.362 7.158 -10.373 1.00 0.00 C ATOM 384 CG TYR A 21 -7.280 5.958 -11.303 1.00 0.00 C ATOM 385 CD1 TYR A 21 -6.196 5.064 -11.251 1.00 0.00 C ATOM 386 CD2 TYR A 21 -8.282 5.765 -12.274 1.00 0.00 C ATOM 387 CE1 TYR A 21 -6.129 3.981 -12.141 1.00 0.00 C ATOM 388 CE2 TYR A 21 -8.266 4.624 -13.094 1.00 0.00 C ATOM 389 CZ TYR A 21 -7.186 3.728 -13.026 1.00 0.00 C ATOM 390 OH TYR A 21 -7.155 2.609 -13.805 1.00 0.00 O ATOM 0 H TYR A 21 -7.674 5.687 -8.273 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.428 7.170 -9.428 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.398 7.257 -10.049 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.124 8.047 -10.957 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.412 5.211 -10.523 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.067 6.498 -12.389 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.260 3.340 -12.144 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.083 4.436 -13.775 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.039 2.186 -13.805 1.00 0.00 H new ATOM 400 N GLY A 22 -6.071 9.520 -8.579 1.00 0.00 N ATOM 401 CA GLY A 22 -6.358 10.857 -8.076 1.00 0.00 C ATOM 402 C GLY A 22 -5.108 11.515 -7.509 1.00 0.00 C ATOM 403 O GLY A 22 -3.990 11.110 -7.821 1.00 0.00 O ATOM 0 H GLY A 22 -5.251 9.493 -9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.762 11.472 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.124 10.800 -7.303 1.00 0.00 H new ATOM 407 N LEU A 23 -5.309 12.499 -6.622 1.00 0.00 N ATOM 408 CA LEU A 23 -4.231 13.169 -5.905 1.00 0.00 C ATOM 409 C LEU A 23 -3.754 12.337 -4.705 1.00 0.00 C ATOM 410 O LEU A 23 -3.116 12.856 -3.793 1.00 0.00 O ATOM 411 CB LEU A 23 -4.696 14.578 -5.514 1.00 0.00 C ATOM 412 CG LEU A 23 -3.562 15.576 -5.221 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.840 16.022 -6.501 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.149 16.811 -4.527 1.00 0.00 C ATOM 0 H LEU A 23 -6.236 12.851 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.360 13.268 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.313 14.978 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.332 14.503 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.835 15.075 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.048 16.726 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.407 15.153 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.552 16.504 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.351 17.523 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.889 17.277 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.625 16.512 -3.593 1.00 0.00 H new ATOM 426 N VAL A 24 -4.050 11.032 -4.710 1.00 0.00 N ATOM 427 CA VAL A 24 -3.513 10.068 -3.759 1.00 0.00 C ATOM 428 C VAL A 24 -1.994 9.928 -3.916 1.00 0.00 C ATOM 429 O VAL A 24 -1.310 9.568 -2.958 1.00 0.00 O ATOM 430 CB VAL A 24 -4.247 8.725 -3.896 1.00 0.00 C ATOM 431 CG1 VAL A 24 -5.691 8.856 -3.395 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.264 8.212 -5.340 1.00 0.00 C ATOM 0 H VAL A 24 -4.683 10.614 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.686 10.432 -2.746 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.699 8.004 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.200 7.898 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.687 9.154 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.214 9.609 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.794 7.261 -5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.769 8.937 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.241 8.073 -5.689 1.00 0.00 H new ATOM 442 N GLN A 25 -1.463 10.263 -5.100 1.00 0.00 N ATOM 443 CA GLN A 25 -0.040 10.482 -5.305 1.00 0.00 C ATOM 444 C GLN A 25 0.447 11.604 -4.383 1.00 0.00 C ATOM 445 O GLN A 25 -0.265 12.581 -4.157 1.00 0.00 O ATOM 446 CB GLN A 25 0.238 10.819 -6.778 1.00 0.00 C ATOM 447 CG GLN A 25 1.210 9.805 -7.387 1.00 0.00 C ATOM 448 CD GLN A 25 0.616 8.402 -7.505 1.00 0.00 C ATOM 449 OE1 GLN A 25 -0.556 8.174 -7.215 1.00 0.00 O ATOM 450 NE2 GLN A 25 1.439 7.451 -7.940 1.00 0.00 N ATOM 0 H GLN A 25 -2.021 10.389 -5.944 1.00 0.00 H new ATOM 0 HA GLN A 25 0.505 9.571 -5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.696 10.818 -7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.655 11.823 -6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.513 10.149 -8.376 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.111 9.761 -6.775 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.406 7.680 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.103 6.493 -8.043 1.00 0.00 H new ATOM 459 N GLY A 26 1.663 11.459 -3.849 1.00 0.00 N ATOM 460 CA GLY A 26 2.275 12.446 -2.979 1.00 0.00 C ATOM 461 C GLY A 26 1.936 12.177 -1.513 1.00 0.00 C ATOM 462 O GLY A 26 2.834 11.863 -0.733 1.00 0.00 O ATOM 0 H GLY A 26 2.250 10.641 -4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.357 12.432 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.932 13.442 -3.257 1.00 0.00 H new ATOM 466 N VAL A 27 0.653 12.299 -1.133 1.00 0.00 N ATOM 467 CA VAL A 27 0.221 12.102 0.251 1.00 0.00 C ATOM 468 C VAL A 27 0.453 10.653 0.697 1.00 0.00 C ATOM 469 O VAL A 27 0.750 9.795 -0.132 1.00 0.00 O ATOM 470 CB VAL A 27 -1.249 12.515 0.460 1.00 0.00 C ATOM 471 CG1 VAL A 27 -1.519 13.959 0.020 1.00 0.00 C ATOM 472 CG2 VAL A 27 -2.239 11.576 -0.236 1.00 0.00 C ATOM 0 H VAL A 27 -0.104 12.535 -1.774 1.00 0.00 H new ATOM 0 HA VAL A 27 0.831 12.754 0.876 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.410 12.441 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.569 14.200 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.893 14.639 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.287 14.066 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.257 11.919 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.045 11.573 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.120 10.566 0.157 1.00 0.00 H new ATOM 482 N GLY A 28 0.306 10.390 2.003 1.00 0.00 N ATOM 483 CA GLY A 28 0.540 9.088 2.614 1.00 0.00 C ATOM 484 C GLY A 28 -0.355 8.008 2.007 1.00 0.00 C ATOM 485 O GLY A 28 0.010 7.440 0.980 1.00 0.00 O ATOM 0 H GLY A 28 0.013 11.100 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.586 8.808 2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.357 9.151 3.687 1.00 0.00 H new ATOM 489 N PHE A 29 -1.508 7.736 2.643 1.00 0.00 N ATOM 490 CA PHE A 29 -2.552 6.803 2.210 1.00 0.00 C ATOM 491 C PHE A 29 -2.097 5.329 2.227 1.00 0.00 C ATOM 492 O PHE A 29 -2.677 4.509 2.937 1.00 0.00 O ATOM 493 CB PHE A 29 -3.180 7.281 0.886 1.00 0.00 C ATOM 494 CG PHE A 29 -3.509 6.184 -0.105 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.570 5.297 0.153 1.00 0.00 C ATOM 496 CD2 PHE A 29 -2.628 5.931 -1.173 1.00 0.00 C ATOM 497 CE1 PHE A 29 -4.777 4.187 -0.683 1.00 0.00 C ATOM 498 CE2 PHE A 29 -2.777 4.764 -1.939 1.00 0.00 C ATOM 499 CZ PHE A 29 -3.858 3.900 -1.706 1.00 0.00 C ATOM 0 H PHE A 29 -1.746 8.191 3.525 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.354 6.815 2.948 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.094 7.829 1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.496 7.984 0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.226 5.469 0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.840 6.633 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.641 3.555 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.058 4.530 -2.710 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.983 3.015 -2.313 1.00 0.00 H new ATOM 509 N ARG A 30 -1.053 5.011 1.458 1.00 0.00 N ATOM 510 CA ARG A 30 -0.298 3.767 1.415 1.00 0.00 C ATOM 511 C ARG A 30 -0.081 3.146 2.803 1.00 0.00 C ATOM 512 O ARG A 30 -0.109 1.925 2.939 1.00 0.00 O ATOM 513 CB ARG A 30 1.068 4.083 0.795 1.00 0.00 C ATOM 514 CG ARG A 30 0.994 4.521 -0.675 1.00 0.00 C ATOM 515 CD ARG A 30 2.306 5.187 -1.099 1.00 0.00 C ATOM 516 NE ARG A 30 2.381 6.577 -0.623 1.00 0.00 N ATOM 517 CZ ARG A 30 3.435 7.395 -0.794 1.00 0.00 C ATOM 518 NH1 ARG A 30 4.586 6.947 -1.314 1.00 0.00 N ATOM 519 NH2 ARG A 30 3.339 8.682 -0.443 1.00 0.00 N ATOM 0 H ARG A 30 -0.684 5.686 0.788 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.865 3.042 0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.547 4.871 1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.704 3.201 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.796 3.657 -1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.165 5.215 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.148 4.619 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.391 5.168 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 30 1.572 6.949 -0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.675 5.969 -1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.373 7.584 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.469 9.039 -0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.136 9.306 -0.571 1.00 0.00 H new ATOM 533 N LYS A 31 0.154 3.981 3.824 1.00 0.00 N ATOM 534 CA LYS A 31 0.393 3.536 5.186 1.00 0.00 C ATOM 535 C LYS A 31 -0.912 3.011 5.802 1.00 0.00 C ATOM 536 O LYS A 31 -0.938 1.899 6.320 1.00 0.00 O ATOM 537 CB LYS A 31 1.015 4.673 6.013 1.00 0.00 C ATOM 538 CG LYS A 31 2.059 4.193 7.032 1.00 0.00 C ATOM 539 CD LYS A 31 1.513 3.204 8.072 1.00 0.00 C ATOM 540 CE LYS A 31 2.583 2.858 9.115 1.00 0.00 C ATOM 541 NZ LYS A 31 2.807 3.975 10.016 1.00 0.00 N ATOM 0 H LYS A 31 0.182 4.995 3.717 1.00 0.00 H new ATOM 0 HA LYS A 31 1.107 2.712 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.482 5.389 5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.222 5.203 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.883 3.722 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.469 5.059 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.643 3.635 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.178 2.294 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.272 1.982 9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.515 2.597 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.390 3.662 10.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.298 4.738 9.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.893 4.326 10.368 1.00 0.00 H new ATOM 554 N PHE A 32 -1.999 3.794 5.727 1.00 0.00 N ATOM 555 CA PHE A 32 -3.326 3.416 6.215 1.00 0.00 C ATOM 556 C PHE A 32 -3.774 2.067 5.637 1.00 0.00 C ATOM 557 O PHE A 32 -4.371 1.244 6.331 1.00 0.00 O ATOM 558 CB PHE A 32 -4.325 4.524 5.841 1.00 0.00 C ATOM 559 CG PHE A 32 -5.747 4.426 6.381 1.00 0.00 C ATOM 560 CD1 PHE A 32 -6.092 3.550 7.433 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.746 5.236 5.809 1.00 0.00 C ATOM 562 CE1 PHE A 32 -7.416 3.480 7.896 1.00 0.00 C ATOM 563 CE2 PHE A 32 -8.052 5.224 6.328 1.00 0.00 C ATOM 564 CZ PHE A 32 -8.394 4.336 7.361 1.00 0.00 C ATOM 0 H PHE A 32 -1.975 4.727 5.316 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.286 3.303 7.298 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.908 5.474 6.174 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.384 4.565 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.332 2.929 7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.508 5.870 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.683 2.768 8.663 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.795 5.900 5.931 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.404 4.311 7.743 1.00 0.00 H new ATOM 574 N VAL A 33 -3.481 1.843 4.351 1.00 0.00 N ATOM 575 CA VAL A 33 -3.738 0.575 3.677 1.00 0.00 C ATOM 576 C VAL A 33 -2.966 -0.549 4.365 1.00 0.00 C ATOM 577 O VAL A 33 -3.500 -1.637 4.576 1.00 0.00 O ATOM 578 CB VAL A 33 -3.360 0.684 2.190 1.00 0.00 C ATOM 579 CG1 VAL A 33 -3.396 -0.669 1.467 1.00 0.00 C ATOM 580 CG2 VAL A 33 -4.304 1.647 1.466 1.00 0.00 C ATOM 0 H VAL A 33 -3.055 2.546 3.747 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.801 0.341 3.739 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.336 1.058 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.121 -0.530 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.692 -1.353 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.401 -1.086 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.022 1.712 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.328 1.281 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.236 2.635 1.922 1.00 0.00 H new ATOM 590 N GLN A 34 -1.712 -0.262 4.721 1.00 0.00 N ATOM 591 CA GLN A 34 -0.831 -1.201 5.386 1.00 0.00 C ATOM 592 C GLN A 34 -1.394 -1.570 6.757 1.00 0.00 C ATOM 593 O GLN A 34 -1.576 -2.752 6.996 1.00 0.00 O ATOM 594 CB GLN A 34 0.614 -0.669 5.428 1.00 0.00 C ATOM 595 CG GLN A 34 1.594 -1.541 4.632 1.00 0.00 C ATOM 596 CD GLN A 34 1.477 -1.446 3.107 1.00 0.00 C ATOM 597 OE1 GLN A 34 2.486 -1.519 2.413 1.00 0.00 O ATOM 598 NE2 GLN A 34 0.273 -1.302 2.553 1.00 0.00 N ATOM 0 H GLN A 34 -1.281 0.646 4.549 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.784 -2.127 4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.634 0.346 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.945 -0.613 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.610 -1.268 4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.448 -2.581 4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.556 -1.243 3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.181 -1.251 1.538 1.00 0.00 H new ATOM 607 N ILE A 35 -1.699 -0.605 7.635 1.00 0.00 N ATOM 608 CA ILE A 35 -2.165 -0.876 9.000 1.00 0.00 C ATOM 609 C ILE A 35 -3.173 -2.025 9.072 1.00 0.00 C ATOM 610 O ILE A 35 -2.954 -2.973 9.820 1.00 0.00 O ATOM 611 CB ILE A 35 -2.752 0.402 9.637 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.735 1.551 9.746 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.350 0.123 11.027 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.425 1.154 10.430 1.00 0.00 C ATOM 0 H ILE A 35 -1.629 0.389 7.417 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.291 -1.193 9.570 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.542 0.719 8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.513 1.924 8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.188 2.373 10.299 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.753 1.047 11.442 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.149 -0.613 10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.573 -0.263 11.687 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.241 2.016 10.469 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.633 0.810 11.443 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.052 0.353 9.865 1.00 0.00 H new ATOM 626 N HIS A 36 -4.261 -1.947 8.301 1.00 0.00 N ATOM 627 CA HIS A 36 -5.329 -2.935 8.351 1.00 0.00 C ATOM 628 C HIS A 36 -4.888 -4.242 7.692 1.00 0.00 C ATOM 629 O HIS A 36 -5.100 -5.315 8.249 1.00 0.00 O ATOM 630 CB HIS A 36 -6.600 -2.365 7.717 1.00 0.00 C ATOM 631 CG HIS A 36 -7.338 -1.425 8.638 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.643 -1.702 9.050 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.942 -0.238 9.202 1.00 0.00 C ATOM 634 CE1 HIS A 36 -8.979 -0.681 9.842 1.00 0.00 C ATOM 635 NE2 HIS A 36 -7.993 0.221 9.970 1.00 0.00 N ATOM 0 H HIS A 36 -4.421 -1.197 7.628 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.556 -3.167 9.392 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.339 -1.838 6.800 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.261 -3.185 7.436 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.986 0.247 9.070 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.940 -0.591 10.327 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.016 1.076 10.525 1.00 0.00 H new ATOM 643 N ALA A 37 -4.261 -4.163 6.516 1.00 0.00 N ATOM 644 CA ALA A 37 -3.726 -5.329 5.830 1.00 0.00 C ATOM 645 C ALA A 37 -2.825 -6.168 6.751 1.00 0.00 C ATOM 646 O ALA A 37 -3.024 -7.369 6.912 1.00 0.00 O ATOM 647 CB ALA A 37 -2.985 -4.838 4.583 1.00 0.00 C ATOM 0 H ALA A 37 -4.113 -3.286 6.017 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.537 -5.995 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.571 -5.692 4.046 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.679 -4.303 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.177 -4.170 4.880 1.00 0.00 H new ATOM 653 N ILE A 38 -1.866 -5.504 7.394 1.00 0.00 N ATOM 654 CA ILE A 38 -0.944 -6.059 8.371 1.00 0.00 C ATOM 655 C ILE A 38 -1.720 -6.610 9.567 1.00 0.00 C ATOM 656 O ILE A 38 -1.433 -7.725 10.002 1.00 0.00 O ATOM 657 CB ILE A 38 0.104 -4.986 8.738 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.282 -5.006 7.748 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.661 -5.115 10.160 1.00 0.00 C ATOM 660 CD1 ILE A 38 0.877 -4.950 6.272 1.00 0.00 C ATOM 0 H ILE A 38 -1.707 -4.509 7.235 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.396 -6.906 7.959 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.434 -4.040 8.682 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.935 -4.161 7.964 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.866 -5.911 7.917 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.390 -4.325 10.338 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.153 -5.026 10.879 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.143 -6.086 10.275 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.771 -4.969 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.250 -5.810 6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.321 -4.032 6.082 1.00 0.00 H new ATOM 672 N ARG A 39 -2.716 -5.868 10.075 1.00 0.00 N ATOM 673 CA ARG A 39 -3.550 -6.310 11.182 1.00 0.00 C ATOM 674 C ARG A 39 -4.152 -7.690 10.893 1.00 0.00 C ATOM 675 O ARG A 39 -4.221 -8.536 11.780 1.00 0.00 O ATOM 676 CB ARG A 39 -4.643 -5.258 11.419 1.00 0.00 C ATOM 677 CG ARG A 39 -5.364 -5.449 12.747 1.00 0.00 C ATOM 678 CD ARG A 39 -6.363 -4.300 12.939 1.00 0.00 C ATOM 679 NE ARG A 39 -7.156 -4.449 14.167 1.00 0.00 N ATOM 680 CZ ARG A 39 -8.254 -5.214 14.295 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.659 -6.009 13.294 1.00 0.00 N ATOM 682 NH2 ARG A 39 -8.953 -5.179 15.437 1.00 0.00 N ATOM 0 H ARG A 39 -2.959 -4.942 9.722 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.947 -6.411 12.084 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.197 -4.264 11.392 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.368 -5.304 10.607 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.884 -6.407 12.759 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.646 -5.465 13.567 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.823 -3.354 12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.033 -4.256 12.080 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.848 -3.930 14.989 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.132 -6.039 12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.494 -6.584 13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.651 -4.575 16.201 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.787 -5.756 15.542 1.00 0.00 H new ATOM 696 N LEU A 40 -4.569 -7.900 9.637 1.00 0.00 N ATOM 697 CA LEU A 40 -5.222 -9.117 9.170 1.00 0.00 C ATOM 698 C LEU A 40 -4.267 -10.091 8.462 1.00 0.00 C ATOM 699 O LEU A 40 -4.734 -11.054 7.858 1.00 0.00 O ATOM 700 CB LEU A 40 -6.397 -8.731 8.266 1.00 0.00 C ATOM 701 CG LEU A 40 -7.392 -7.790 8.966 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.512 -7.449 7.987 1.00 0.00 C ATOM 703 CD2 LEU A 40 -7.995 -8.412 10.231 1.00 0.00 C ATOM 0 H LEU A 40 -4.455 -7.203 8.901 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.584 -9.659 10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.016 -8.248 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.918 -9.634 7.947 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.851 -6.895 9.272 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.226 -6.782 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.091 -6.957 7.110 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.019 -8.364 7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.690 -7.707 10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.526 -9.327 9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.198 -8.644 10.938 1.00 0.00 H new ATOM 715 N GLY A 41 -2.946 -9.876 8.544 1.00 0.00 N ATOM 716 CA GLY A 41 -1.947 -10.784 7.989 1.00 0.00 C ATOM 717 C GLY A 41 -2.058 -10.902 6.468 1.00 0.00 C ATOM 718 O GLY A 41 -2.364 -11.975 5.952 1.00 0.00 O ATOM 0 H GLY A 41 -2.544 -9.059 9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.950 -10.431 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.065 -11.770 8.438 1.00 0.00 H new ATOM 722 N ILE A 42 -1.808 -9.793 5.760 1.00 0.00 N ATOM 723 CA ILE A 42 -1.940 -9.668 4.314 1.00 0.00 C ATOM 724 C ILE A 42 -0.592 -9.248 3.733 1.00 0.00 C ATOM 725 O ILE A 42 0.094 -8.396 4.298 1.00 0.00 O ATOM 726 CB ILE A 42 -3.037 -8.639 4.002 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.409 -9.059 4.541 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.168 -8.267 2.524 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.032 -10.236 3.798 1.00 0.00 C ATOM 0 H ILE A 42 -1.496 -8.928 6.202 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.227 -10.618 3.862 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.697 -7.746 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.310 -9.319 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.087 -8.207 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.967 -7.536 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.229 -7.840 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.401 -9.160 1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.001 -10.473 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.165 -9.974 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.376 -11.103 3.876 1.00 0.00 H new ATOM 741 N LYS A 43 -0.229 -9.853 2.597 1.00 0.00 N ATOM 742 CA LYS A 43 0.978 -9.539 1.837 1.00 0.00 C ATOM 743 C LYS A 43 0.590 -8.605 0.684 1.00 0.00 C ATOM 744 O LYS A 43 -0.592 -8.364 0.470 1.00 0.00 O ATOM 745 CB LYS A 43 1.632 -10.826 1.317 1.00 0.00 C ATOM 746 CG LYS A 43 1.873 -11.846 2.439 1.00 0.00 C ATOM 747 CD LYS A 43 2.386 -13.176 1.875 1.00 0.00 C ATOM 748 CE LYS A 43 2.758 -14.159 2.992 1.00 0.00 C ATOM 749 NZ LYS A 43 3.967 -13.727 3.667 1.00 0.00 N ATOM 0 H LYS A 43 -0.785 -10.595 2.172 1.00 0.00 H new ATOM 0 HA LYS A 43 1.709 -9.042 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.996 -11.272 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.581 -10.582 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.596 -11.446 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.946 -12.013 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.621 -13.621 1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.257 -12.993 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.940 -14.231 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.904 -15.155 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.708 -14.446 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.289 -12.826 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.772 -13.598 4.680 1.00 0.00 H new ATOM 762 N GLY A 44 1.558 -8.076 -0.070 1.00 0.00 N ATOM 763 CA GLY A 44 1.264 -7.245 -1.232 1.00 0.00 C ATOM 764 C GLY A 44 2.363 -6.224 -1.486 1.00 0.00 C ATOM 765 O GLY A 44 3.535 -6.517 -1.264 1.00 0.00 O ATOM 0 H GLY A 44 2.553 -8.211 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.145 -7.878 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.316 -6.729 -1.080 1.00 0.00 H new ATOM 769 N TYR A 45 1.970 -5.024 -1.937 1.00 0.00 N ATOM 770 CA TYR A 45 2.840 -3.857 -2.052 1.00 0.00 C ATOM 771 C TYR A 45 2.008 -2.651 -2.490 1.00 0.00 C ATOM 772 O TYR A 45 1.067 -2.805 -3.270 1.00 0.00 O ATOM 773 CB TYR A 45 3.996 -4.085 -3.037 1.00 0.00 C ATOM 774 CG TYR A 45 5.367 -3.655 -2.550 1.00 0.00 C ATOM 775 CD1 TYR A 45 5.845 -2.360 -2.825 1.00 0.00 C ATOM 776 CD2 TYR A 45 6.200 -4.585 -1.903 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.141 -1.990 -2.420 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.498 -4.219 -1.512 1.00 0.00 C ATOM 779 CZ TYR A 45 7.963 -2.915 -1.754 1.00 0.00 C ATOM 780 OH TYR A 45 9.214 -2.547 -1.353 1.00 0.00 O ATOM 0 H TYR A 45 1.013 -4.839 -2.238 1.00 0.00 H new ATOM 0 HA TYR A 45 3.286 -3.674 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.034 -5.146 -3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.774 -3.550 -3.960 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.218 -1.651 -3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.840 -5.584 -1.706 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.505 -0.993 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.139 -4.939 -1.025 1.00 0.00 H new ATOM 0 HH TYR A 45 9.650 -3.303 -0.907 1.00 0.00 H new ATOM 790 N ALA A 46 2.348 -1.463 -1.980 1.00 0.00 N ATOM 791 CA ALA A 46 1.627 -0.228 -2.271 1.00 0.00 C ATOM 792 C ALA A 46 2.479 0.608 -3.217 1.00 0.00 C ATOM 793 O ALA A 46 3.242 1.470 -2.781 1.00 0.00 O ATOM 794 CB ALA A 46 1.307 0.525 -0.972 1.00 0.00 C ATOM 0 H ALA A 46 3.139 -1.335 -1.349 1.00 0.00 H new ATOM 0 HA ALA A 46 0.673 -0.446 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.769 1.444 -1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.689 -0.103 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.235 0.770 -0.455 1.00 0.00 H new ATOM 800 N LYS A 47 2.393 0.301 -4.514 1.00 0.00 N ATOM 801 CA LYS A 47 3.359 0.758 -5.495 1.00 0.00 C ATOM 802 C LYS A 47 2.863 2.030 -6.166 1.00 0.00 C ATOM 803 O LYS A 47 1.886 2.020 -6.915 1.00 0.00 O ATOM 804 CB LYS A 47 3.684 -0.370 -6.475 1.00 0.00 C ATOM 805 CG LYS A 47 4.397 0.133 -7.740 1.00 0.00 C ATOM 806 CD LYS A 47 5.033 -1.008 -8.545 1.00 0.00 C ATOM 807 CE LYS A 47 3.990 -1.950 -9.156 1.00 0.00 C ATOM 808 NZ LYS A 47 4.660 -2.978 -9.928 1.00 0.00 N ATOM 0 H LYS A 47 1.647 -0.273 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 47 4.298 1.019 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.313 -1.109 -5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.762 -0.876 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.683 0.664 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.169 0.850 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.648 -0.588 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.697 -1.579 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.390 -2.405 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.307 -1.389 -9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.952 -3.617 -10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.214 -2.535 -10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.295 -3.520 -9.307 1.00 0.00 H new ATOM 821 N ASN A 48 3.568 3.120 -5.869 1.00 0.00 N ATOM 822 CA ASN A 48 3.297 4.468 -6.318 1.00 0.00 C ATOM 823 C ASN A 48 4.071 4.713 -7.608 1.00 0.00 C ATOM 824 O ASN A 48 5.297 4.636 -7.603 1.00 0.00 O ATOM 825 CB ASN A 48 3.739 5.443 -5.217 1.00 0.00 C ATOM 826 CG ASN A 48 3.425 6.900 -5.547 1.00 0.00 C ATOM 827 OD1 ASN A 48 4.013 7.479 -6.458 1.00 0.00 O ATOM 828 ND2 ASN A 48 2.504 7.508 -4.796 1.00 0.00 N ATOM 0 H ASN A 48 4.393 3.073 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 48 2.235 4.615 -6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.247 5.174 -4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.812 5.336 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.268 8.485 -4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.036 6.996 -4.048 1.00 0.00 H new ATOM 835 N LEU A 49 3.363 5.014 -8.701 1.00 0.00 N ATOM 836 CA LEU A 49 3.960 5.397 -9.968 1.00 0.00 C ATOM 837 C LEU A 49 3.946 6.930 -10.023 1.00 0.00 C ATOM 838 O LEU A 49 2.896 7.502 -10.314 1.00 0.00 O ATOM 839 CB LEU A 49 3.138 4.778 -11.107 1.00 0.00 C ATOM 840 CG LEU A 49 2.976 3.251 -10.978 1.00 0.00 C ATOM 841 CD1 LEU A 49 1.808 2.782 -11.851 1.00 0.00 C ATOM 842 CD2 LEU A 49 4.253 2.500 -11.371 1.00 0.00 C ATOM 0 H LEU A 49 2.343 4.996 -8.722 1.00 0.00 H new ATOM 0 HA LEU A 49 4.985 5.041 -10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.151 5.241 -11.128 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.618 5.007 -12.059 1.00 0.00 H new ATOM 0 HG LEU A 49 2.774 3.027 -9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.695 1.702 -11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.890 3.272 -11.525 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.006 3.038 -12.892 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.092 1.427 -11.264 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.505 2.728 -12.407 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.072 2.810 -10.722 1.00 0.00 H new ATOM 854 N PRO A 50 5.050 7.626 -9.696 1.00 0.00 N ATOM 855 CA PRO A 50 5.036 9.071 -9.509 1.00 0.00 C ATOM 856 C PRO A 50 4.672 9.784 -10.812 1.00 0.00 C ATOM 857 O PRO A 50 4.996 9.305 -11.897 1.00 0.00 O ATOM 858 CB PRO A 50 6.430 9.442 -9.003 1.00 0.00 C ATOM 859 CG PRO A 50 7.310 8.333 -9.573 1.00 0.00 C ATOM 860 CD PRO A 50 6.394 7.111 -9.495 1.00 0.00 C ATOM 0 HA PRO A 50 4.279 9.384 -8.790 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.739 10.425 -9.358 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.470 9.469 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.618 8.545 -10.597 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.220 8.196 -8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.652 6.377 -10.258 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.484 6.613 -8.530 1.00 0.00 H new ATOM 868 N ASP A 51 3.941 10.900 -10.684 1.00 0.00 N ATOM 869 CA ASP A 51 3.252 11.565 -11.782 1.00 0.00 C ATOM 870 C ASP A 51 2.306 10.575 -12.473 1.00 0.00 C ATOM 871 O ASP A 51 2.381 10.361 -13.681 1.00 0.00 O ATOM 872 CB ASP A 51 4.260 12.229 -12.737 1.00 0.00 C ATOM 873 CG ASP A 51 3.589 13.091 -13.806 1.00 0.00 C ATOM 874 OD1 ASP A 51 2.496 13.607 -13.581 1.00 0.00 O ATOM 875 OD2 ASP A 51 4.280 13.232 -14.973 1.00 0.00 O ATOM 0 H ASP A 51 3.814 11.372 -9.789 1.00 0.00 H new ATOM 0 HA ASP A 51 2.634 12.376 -11.398 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.948 12.846 -12.159 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.856 11.456 -13.222 1.00 0.00 H new ATOM 881 N GLY A 52 1.418 9.962 -11.681 1.00 0.00 N ATOM 882 CA GLY A 52 0.464 8.979 -12.151 1.00 0.00 C ATOM 883 C GLY A 52 -0.417 8.522 -10.992 1.00 0.00 C ATOM 884 O GLY A 52 -0.907 9.343 -10.218 1.00 0.00 O ATOM 0 H GLY A 52 1.350 10.146 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.152 9.406 -12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.988 8.125 -12.580 1.00 0.00 H new ATOM 888 N SER A 53 -0.619 7.205 -10.897 1.00 0.00 N ATOM 889 CA SER A 53 -1.534 6.547 -9.973 1.00 0.00 C ATOM 890 C SER A 53 -0.791 5.503 -9.137 1.00 0.00 C ATOM 891 O SER A 53 0.313 5.090 -9.487 1.00 0.00 O ATOM 892 CB SER A 53 -2.671 5.908 -10.774 1.00 0.00 C ATOM 893 OG SER A 53 -2.172 5.195 -11.886 1.00 0.00 O ATOM 0 H SER A 53 -0.124 6.541 -11.492 1.00 0.00 H new ATOM 0 HA SER A 53 -1.953 7.279 -9.283 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.239 5.235 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.360 6.681 -11.113 1.00 0.00 H new ATOM 0 HG SER A 53 -2.822 5.235 -12.618 1.00 0.00 H new ATOM 899 N VAL A 54 -1.384 5.107 -8.006 1.00 0.00 N ATOM 900 CA VAL A 54 -0.775 4.205 -7.038 1.00 0.00 C ATOM 901 C VAL A 54 -1.600 2.920 -6.943 1.00 0.00 C ATOM 902 O VAL A 54 -2.777 2.960 -6.586 1.00 0.00 O ATOM 903 CB VAL A 54 -0.562 4.931 -5.692 1.00 0.00 C ATOM 904 CG1 VAL A 54 -1.794 5.691 -5.192 1.00 0.00 C ATOM 905 CG2 VAL A 54 -0.060 3.984 -4.594 1.00 0.00 C ATOM 0 H VAL A 54 -2.319 5.414 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 54 0.220 3.902 -7.365 1.00 0.00 H new ATOM 0 HB VAL A 54 0.209 5.672 -5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.563 6.173 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.077 6.448 -5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.620 4.994 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.075 4.541 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.789 3.189 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.892 3.548 -4.897 1.00 0.00 H new ATOM 915 N GLU A 55 -0.980 1.784 -7.295 1.00 0.00 N ATOM 916 CA GLU A 55 -1.625 0.478 -7.289 1.00 0.00 C ATOM 917 C GLU A 55 -1.384 -0.230 -5.958 1.00 0.00 C ATOM 918 O GLU A 55 -0.298 -0.131 -5.388 1.00 0.00 O ATOM 919 CB GLU A 55 -1.172 -0.363 -8.499 1.00 0.00 C ATOM 920 CG GLU A 55 0.154 -1.118 -8.317 1.00 0.00 C ATOM 921 CD GLU A 55 0.030 -2.400 -7.485 1.00 0.00 C ATOM 922 OE1 GLU A 55 -1.062 -2.951 -7.369 1.00 0.00 O ATOM 923 OE2 GLU A 55 1.177 -2.854 -6.907 1.00 0.00 O ATOM 0 H GLU A 55 -0.005 1.754 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.702 0.614 -7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.954 -1.086 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.080 0.295 -9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.554 -1.371 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.876 -0.455 -7.840 1.00 0.00 H new ATOM 931 N VAL A 56 -2.398 -0.962 -5.493 1.00 0.00 N ATOM 932 CA VAL A 56 -2.345 -1.765 -4.280 1.00 0.00 C ATOM 933 C VAL A 56 -2.665 -3.218 -4.637 1.00 0.00 C ATOM 934 O VAL A 56 -3.738 -3.481 -5.178 1.00 0.00 O ATOM 935 CB VAL A 56 -3.365 -1.212 -3.273 1.00 0.00 C ATOM 936 CG1 VAL A 56 -3.341 -2.039 -1.988 1.00 0.00 C ATOM 937 CG2 VAL A 56 -3.053 0.248 -2.924 1.00 0.00 C ATOM 0 H VAL A 56 -3.301 -1.011 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.352 -1.723 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.351 -1.269 -3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.068 -1.637 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.592 -3.075 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.345 -1.996 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.789 0.617 -2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.057 0.312 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.090 0.854 -3.829 1.00 0.00 H new ATOM 947 N VAL A 57 -1.760 -4.154 -4.318 1.00 0.00 N ATOM 948 CA VAL A 57 -1.911 -5.577 -4.636 1.00 0.00 C ATOM 949 C VAL A 57 -1.997 -6.419 -3.357 1.00 0.00 C ATOM 950 O VAL A 57 -1.159 -7.276 -3.093 1.00 0.00 O ATOM 951 CB VAL A 57 -0.820 -6.001 -5.643 1.00 0.00 C ATOM 952 CG1 VAL A 57 0.617 -5.864 -5.121 1.00 0.00 C ATOM 953 CG2 VAL A 57 -1.035 -7.412 -6.203 1.00 0.00 C ATOM 0 H VAL A 57 -0.893 -3.939 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.860 -5.762 -5.138 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.936 -5.282 -6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.317 -6.184 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.812 -4.823 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.744 -6.488 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.236 -7.651 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.028 -8.133 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.995 -7.457 -6.718 1.00 0.00 H new ATOM 963 N ALA A 58 -3.044 -6.174 -2.560 1.00 0.00 N ATOM 964 CA ALA A 58 -3.240 -6.822 -1.267 1.00 0.00 C ATOM 965 C ALA A 58 -3.666 -8.284 -1.443 1.00 0.00 C ATOM 966 O ALA A 58 -4.592 -8.563 -2.202 1.00 0.00 O ATOM 967 CB ALA A 58 -4.305 -6.067 -0.474 1.00 0.00 C ATOM 0 H ALA A 58 -3.783 -5.514 -2.801 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.294 -6.805 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.451 -6.551 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.981 -5.038 -0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.243 -6.072 -1.028 1.00 0.00 H new ATOM 973 N GLU A 59 -2.988 -9.210 -0.754 1.00 0.00 N ATOM 974 CA GLU A 59 -3.044 -10.641 -1.011 1.00 0.00 C ATOM 975 C GLU A 59 -3.607 -11.380 0.200 1.00 0.00 C ATOM 976 O GLU A 59 -2.919 -11.495 1.215 1.00 0.00 O ATOM 977 CB GLU A 59 -1.632 -11.123 -1.353 1.00 0.00 C ATOM 978 CG GLU A 59 -1.638 -12.580 -1.831 1.00 0.00 C ATOM 979 CD GLU A 59 -0.251 -13.080 -2.221 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.745 -12.680 -1.617 1.00 0.00 O ATOM 981 OE2 GLU A 59 -0.219 -13.960 -3.259 1.00 0.00 O ATOM 0 H GLU A 59 -2.369 -8.969 0.020 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.709 -10.848 -1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.206 -10.486 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.992 -11.029 -0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.039 -13.215 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.307 -12.674 -2.686 1.00 0.00 H new ATOM 989 N GLY A 60 -4.842 -11.885 0.100 1.00 0.00 N ATOM 990 CA GLY A 60 -5.499 -12.520 1.230 1.00 0.00 C ATOM 991 C GLY A 60 -6.667 -13.419 0.853 1.00 0.00 C ATOM 992 O GLY A 60 -7.073 -13.516 -0.304 1.00 0.00 O ATOM 0 H GLY A 60 -5.399 -11.863 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.764 -13.110 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.856 -11.746 1.909 1.00 0.00 H new ATOM 996 N TYR A 61 -7.228 -14.042 1.894 1.00 0.00 N ATOM 997 CA TYR A 61 -8.508 -14.715 1.870 1.00 0.00 C ATOM 998 C TYR A 61 -9.621 -13.665 1.742 1.00 0.00 C ATOM 999 O TYR A 61 -9.368 -12.470 1.885 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.646 -15.480 3.188 1.00 0.00 C ATOM 1001 CG TYR A 61 -7.659 -16.614 3.381 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -7.945 -17.898 2.878 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -6.477 -16.401 4.118 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -7.055 -18.961 3.114 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -5.590 -17.464 4.353 1.00 0.00 C ATOM 1006 CZ TYR A 61 -5.878 -18.746 3.851 1.00 0.00 C ATOM 1007 OH TYR A 61 -5.017 -19.779 4.081 1.00 0.00 O ATOM 0 H TYR A 61 -6.776 -14.087 2.807 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.582 -15.403 1.028 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -8.532 -14.776 4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -9.656 -15.884 3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.848 -18.066 2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.253 -15.417 4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.277 -19.945 2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.686 -17.297 4.920 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.254 -19.458 4.605 1.00 0.00 H new ATOM 1017 N GLU A 62 -10.860 -14.104 1.491 1.00 0.00 N ATOM 1018 CA GLU A 62 -11.971 -13.191 1.245 1.00 0.00 C ATOM 1019 C GLU A 62 -12.562 -12.597 2.525 1.00 0.00 C ATOM 1020 O GLU A 62 -13.045 -11.465 2.502 1.00 0.00 O ATOM 1021 CB GLU A 62 -13.065 -13.863 0.424 1.00 0.00 C ATOM 1022 CG GLU A 62 -12.559 -14.288 -0.959 1.00 0.00 C ATOM 1023 CD GLU A 62 -13.718 -14.682 -1.870 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -14.032 -15.865 -1.973 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -14.332 -13.653 -2.522 1.00 0.00 O ATOM 0 H GLU A 62 -11.114 -15.091 1.454 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.552 -12.362 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.436 -14.737 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.905 -13.179 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.998 -13.470 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.871 -15.128 -0.856 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.510 -13.334 3.643 1.00 0.00 N ATOM 1034 CA GLU A 63 -12.953 -12.840 4.933 1.00 0.00 C ATOM 1035 C GLU A 63 -12.119 -11.649 5.405 1.00 0.00 C ATOM 1036 O GLU A 63 -12.627 -10.828 6.163 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.991 -13.989 5.948 1.00 0.00 C ATOM 1038 CG GLU A 63 -11.660 -14.725 6.194 1.00 0.00 C ATOM 1039 CD GLU A 63 -10.610 -13.914 6.954 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -10.959 -13.121 7.826 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -9.315 -14.146 6.597 1.00 0.00 O ATOM 0 H GLU A 63 -12.157 -14.291 3.667 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.969 -12.458 4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.344 -13.593 6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.728 -14.718 5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.864 -15.640 6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.243 -15.023 5.232 1.00 0.00 H new ATOM 1049 N ALA A 64 -10.869 -11.538 4.940 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.007 -10.390 5.191 1.00 0.00 C ATOM 1051 C ALA A 64 -9.971 -9.433 3.996 1.00 0.00 C ATOM 1052 O ALA A 64 -9.518 -8.300 4.149 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.605 -10.886 5.547 1.00 0.00 C ATOM 0 H ALA A 64 -10.426 -12.259 4.370 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.413 -9.823 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.954 -10.032 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.655 -11.509 6.440 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.205 -11.471 4.719 1.00 0.00 H new ATOM 1059 N LEU A 65 -10.460 -9.854 2.819 1.00 0.00 N ATOM 1060 CA LEU A 65 -10.524 -8.979 1.658 1.00 0.00 C ATOM 1061 C LEU A 65 -11.583 -7.912 1.900 1.00 0.00 C ATOM 1062 O LEU A 65 -11.264 -6.730 1.920 1.00 0.00 O ATOM 1063 CB LEU A 65 -10.820 -9.782 0.401 1.00 0.00 C ATOM 1064 CG LEU A 65 -10.744 -8.927 -0.860 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -9.328 -8.392 -1.119 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -11.198 -9.816 -2.011 1.00 0.00 C ATOM 0 H LEU A 65 -10.815 -10.796 2.655 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.561 -8.491 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.111 -10.606 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.814 -10.223 0.479 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.379 -8.047 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.327 -7.790 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.011 -7.778 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.639 -9.228 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.163 -9.251 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.538 -10.680 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.218 -10.153 -1.830 1.00 0.00 H new ATOM 1078 N SER A 66 -12.830 -8.350 2.112 1.00 0.00 N ATOM 1079 CA SER A 66 -13.965 -7.545 2.557 1.00 0.00 C ATOM 1080 C SER A 66 -13.579 -6.499 3.605 1.00 0.00 C ATOM 1081 O SER A 66 -13.990 -5.351 3.488 1.00 0.00 O ATOM 1082 CB SER A 66 -15.049 -8.489 3.089 1.00 0.00 C ATOM 1083 OG SER A 66 -14.517 -9.392 4.040 1.00 0.00 O ATOM 0 H SER A 66 -13.084 -9.328 1.969 1.00 0.00 H new ATOM 0 HA SER A 66 -14.342 -6.979 1.705 1.00 0.00 H new ATOM 0 HB2 SER A 66 -15.851 -7.907 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.489 -9.045 2.261 1.00 0.00 H new ATOM 0 HG SER A 66 -14.021 -10.099 3.578 1.00 0.00 H new ATOM 1089 N LYS A 67 -12.782 -6.883 4.605 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.301 -5.989 5.647 1.00 0.00 C ATOM 1091 C LYS A 67 -11.346 -4.916 5.111 1.00 0.00 C ATOM 1092 O LYS A 67 -11.462 -3.758 5.504 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.664 -6.813 6.770 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.660 -7.777 7.429 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.925 -7.121 7.993 1.00 0.00 C ATOM 1096 CE LYS A 67 -13.620 -6.000 8.994 1.00 0.00 C ATOM 1097 NZ LYS A 67 -14.855 -5.511 9.575 1.00 0.00 N ATOM 0 H LYS A 67 -12.450 -7.842 4.710 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.155 -5.443 6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.825 -7.381 6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.260 -6.140 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.955 -8.527 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.152 -8.304 8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.516 -6.717 7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.536 -7.881 8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.960 -6.370 9.778 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.095 -5.186 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.643 -4.751 10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.470 -5.142 8.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.339 -6.289 10.067 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.424 -5.278 4.211 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.499 -4.357 3.553 1.00 0.00 C ATOM 1112 C LEU A 68 -10.211 -3.508 2.484 1.00 0.00 C ATOM 1113 O LEU A 68 -9.755 -2.416 2.156 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.337 -5.200 3.002 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.086 -4.490 2.456 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -7.140 -4.230 0.950 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.725 -3.193 3.180 1.00 0.00 C ATOM 0 H LEU A 68 -10.300 -6.246 3.915 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.102 -3.625 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.012 -5.871 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.735 -5.824 2.202 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.294 -5.211 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.226 -3.727 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.234 -5.178 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.999 -3.599 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.831 -2.761 2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.551 -2.487 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.535 -3.405 4.232 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.357 -3.976 1.975 1.00 0.00 N ATOM 1130 CA LEU A 69 -12.192 -3.255 1.034 1.00 0.00 C ATOM 1131 C LEU A 69 -13.006 -2.188 1.758 1.00 0.00 C ATOM 1132 O LEU A 69 -12.869 -1.004 1.457 1.00 0.00 O ATOM 1133 CB LEU A 69 -13.109 -4.241 0.291 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.677 -4.556 -1.144 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -12.975 -3.380 -2.079 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -11.208 -4.971 -1.243 1.00 0.00 C ATOM 0 H LEU A 69 -11.731 -4.893 2.219 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.559 -2.754 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.153 -5.172 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.119 -3.832 0.271 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.268 -5.414 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.658 -3.631 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.045 -3.174 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.434 -2.498 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.959 -5.182 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.576 -4.163 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.041 -5.865 -0.642 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.861 -2.610 2.698 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.762 -1.740 3.439 1.00 0.00 C ATOM 1150 C GLU A 70 -13.978 -0.598 4.096 1.00 0.00 C ATOM 1151 O GLU A 70 -14.390 0.553 4.007 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.634 -2.578 4.393 1.00 0.00 C ATOM 1153 CG GLU A 70 -14.920 -3.120 5.640 1.00 0.00 C ATOM 1154 CD GLU A 70 -14.709 -2.098 6.756 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -15.367 -1.060 6.779 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -13.756 -2.427 7.674 1.00 0.00 O ATOM 0 H GLU A 70 -13.942 -3.591 2.965 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.465 -1.246 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -16.478 -1.968 4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.044 -3.420 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.497 -3.955 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.949 -3.516 5.342 1.00 0.00 H new ATOM 1164 N ARG A 71 -12.810 -0.928 4.667 1.00 0.00 N ATOM 1165 CA ARG A 71 -11.743 -0.040 5.127 1.00 0.00 C ATOM 1166 C ARG A 71 -11.575 1.216 4.262 1.00 0.00 C ATOM 1167 O ARG A 71 -11.452 2.313 4.801 1.00 0.00 O ATOM 1168 CB ARG A 71 -10.466 -0.901 5.189 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.106 -0.274 4.874 1.00 0.00 C ATOM 1170 CD ARG A 71 -8.588 0.741 5.890 1.00 0.00 C ATOM 1171 NE ARG A 71 -7.425 1.437 5.322 1.00 0.00 N ATOM 1172 CZ ARG A 71 -7.519 2.403 4.393 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -8.698 2.966 4.111 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -6.438 2.814 3.722 1.00 0.00 N ATOM 0 H ARG A 71 -12.572 -1.906 4.830 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.987 0.367 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.405 -1.320 6.194 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.605 -1.737 4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.371 -1.074 4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.169 0.214 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.371 1.458 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.310 0.238 6.816 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.496 1.172 5.651 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.539 2.663 4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.757 3.699 3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.529 2.393 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.523 3.548 3.019 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.535 1.064 2.933 1.00 0.00 N ATOM 1189 CA ILE A 72 -11.289 2.161 2.001 1.00 0.00 C ATOM 1190 C ILE A 72 -12.505 3.081 1.916 1.00 0.00 C ATOM 1191 O ILE A 72 -12.432 4.228 2.342 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.813 1.636 0.639 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.437 0.966 0.814 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -10.700 2.782 -0.379 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -9.181 -0.025 -0.324 1.00 0.00 C ATOM 0 H ILE A 72 -11.675 0.164 2.473 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.472 2.774 2.381 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.539 0.914 0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.654 1.725 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.396 0.448 1.772 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.361 2.386 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -11.675 3.253 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.984 3.520 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.205 -0.491 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.954 -0.793 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.201 0.503 -1.277 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.613 2.602 1.352 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.835 3.384 1.209 1.00 0.00 C ATOM 1209 C LYS A 73 -15.296 4.015 2.529 1.00 0.00 C ATOM 1210 O LYS A 73 -15.629 5.198 2.561 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.915 2.527 0.537 1.00 0.00 C ATOM 1212 CG LYS A 73 -16.059 1.084 1.054 1.00 0.00 C ATOM 1213 CD LYS A 73 -16.444 0.142 -0.094 1.00 0.00 C ATOM 1214 CE LYS A 73 -15.243 -0.230 -0.981 1.00 0.00 C ATOM 1215 NZ LYS A 73 -15.714 -0.906 -2.175 1.00 0.00 N ATOM 0 H LYS A 73 -13.686 1.655 0.980 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.628 4.236 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -16.874 3.030 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.705 2.488 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.121 0.756 1.503 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.818 1.045 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.882 -0.767 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.211 0.616 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.687 0.667 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.558 -0.875 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.902 -1.157 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.226 -1.770 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.352 -0.276 -2.702 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.278 3.238 3.618 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.557 3.711 4.971 1.00 0.00 C ATOM 1230 C GLN A 74 -14.569 4.805 5.390 1.00 0.00 C ATOM 1231 O GLN A 74 -14.993 5.862 5.853 1.00 0.00 O ATOM 1232 CB GLN A 74 -15.538 2.520 5.945 1.00 0.00 C ATOM 1233 CG GLN A 74 -15.908 2.876 7.391 1.00 0.00 C ATOM 1234 CD GLN A 74 -14.702 3.343 8.206 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -13.811 2.552 8.506 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -14.669 4.623 8.576 1.00 0.00 N ATOM 0 H GLN A 74 -15.064 2.242 3.578 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.550 4.161 4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.230 1.759 5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.543 2.076 5.937 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -16.665 3.660 7.386 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -16.353 2.006 7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.427 5.251 8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -13.886 4.975 9.127 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.265 4.536 5.253 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.184 5.426 5.653 1.00 0.00 C ATOM 1247 C GLY A 75 -11.416 5.900 4.419 1.00 0.00 C ATOM 1248 O GLY A 75 -10.416 5.278 4.062 1.00 0.00 O ATOM 0 H GLY A 75 -12.929 3.663 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.588 6.283 6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.509 4.909 6.335 1.00 0.00 H new ATOM 1252 N PRO A 76 -11.863 6.969 3.736 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.265 7.416 2.484 1.00 0.00 C ATOM 1254 C PRO A 76 -9.837 7.934 2.703 1.00 0.00 C ATOM 1255 O PRO A 76 -9.466 8.262 3.831 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.196 8.512 1.953 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.857 9.058 3.216 1.00 0.00 C ATOM 1258 CD PRO A 76 -12.992 7.813 4.091 1.00 0.00 C ATOM 0 HA PRO A 76 -11.170 6.600 1.767 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.643 9.287 1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.932 8.111 1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.246 9.824 3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.826 9.510 3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.971 8.072 5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.937 7.303 3.906 1.00 0.00 H new ATOM 1266 N PRO A 77 -9.023 8.004 1.638 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.650 8.477 1.713 1.00 0.00 C ATOM 1268 C PRO A 77 -7.609 9.987 1.953 1.00 0.00 C ATOM 1269 O PRO A 77 -8.581 10.693 1.685 1.00 0.00 O ATOM 1270 CB PRO A 77 -7.035 8.122 0.358 1.00 0.00 C ATOM 1271 CG PRO A 77 -8.229 8.217 -0.586 1.00 0.00 C ATOM 1272 CD PRO A 77 -9.369 7.663 0.267 1.00 0.00 C ATOM 0 HA PRO A 77 -7.104 8.022 2.539 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.242 8.816 0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.599 7.123 0.360 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.418 9.244 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.078 7.630 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.324 8.104 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.465 6.584 0.142 1.00 0.00 H new ATOM 1280 N ALA A 78 -6.463 10.482 2.435 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.252 11.891 2.737 1.00 0.00 C ATOM 1282 C ALA A 78 -5.887 12.675 1.470 1.00 0.00 C ATOM 1283 O ALA A 78 -4.920 13.434 1.470 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.166 12.009 3.812 1.00 0.00 C ATOM 0 H ALA A 78 -5.647 9.901 2.627 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.175 12.328 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.999 13.060 4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.486 11.483 4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.240 11.568 3.443 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.657 12.495 0.390 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.437 13.160 -0.883 1.00 0.00 C ATOM 1292 C ALA A 79 -7.721 13.177 -1.705 1.00 0.00 C ATOM 1293 O ALA A 79 -8.682 12.474 -1.396 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.345 12.431 -1.658 1.00 0.00 C ATOM 0 H ALA A 79 -7.463 11.870 0.385 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.129 14.188 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.181 12.931 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.421 12.440 -1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.651 11.400 -1.836 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.693 13.959 -2.788 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.744 14.006 -3.787 1.00 0.00 C ATOM 1302 C GLU A 80 -8.653 12.766 -4.678 1.00 0.00 C ATOM 1303 O GLU A 80 -8.163 12.829 -5.805 1.00 0.00 O ATOM 1304 CB GLU A 80 -8.639 15.312 -4.592 1.00 0.00 C ATOM 1305 CG GLU A 80 -8.589 16.559 -3.698 1.00 0.00 C ATOM 1306 CD GLU A 80 -9.737 16.600 -2.693 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -9.487 16.553 -1.491 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -10.992 16.677 -3.220 1.00 0.00 O ATOM 0 H GLU A 80 -6.917 14.589 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.723 13.999 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.744 15.280 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.492 15.388 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.640 16.581 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.624 17.452 -4.322 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.136 11.635 -4.153 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.268 10.388 -4.891 1.00 0.00 C ATOM 1318 C VAL A 81 -10.255 10.581 -6.040 1.00 0.00 C ATOM 1319 O VAL A 81 -11.375 11.049 -5.844 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.643 9.243 -3.932 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -11.023 9.405 -3.279 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.560 7.883 -4.636 1.00 0.00 C ATOM 0 H VAL A 81 -9.450 11.566 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.317 10.102 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.907 9.289 -3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.214 8.560 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.046 10.329 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.790 9.441 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.830 7.093 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.248 7.868 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.543 7.719 -4.993 1.00 0.00 H new ATOM 1332 N GLU A 82 -9.799 10.250 -7.249 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.558 10.353 -8.477 1.00 0.00 C ATOM 1334 C GLU A 82 -11.372 9.075 -8.641 1.00 0.00 C ATOM 1335 O GLU A 82 -12.599 9.132 -8.678 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.576 10.602 -9.632 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.234 10.697 -11.015 1.00 0.00 C ATOM 1338 CD GLU A 82 -11.441 11.629 -11.038 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -12.547 11.176 -11.324 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -11.196 12.933 -10.724 1.00 0.00 O ATOM 0 H GLU A 82 -8.856 9.891 -7.395 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.260 11.187 -8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.032 11.527 -9.438 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.841 9.797 -9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.498 11.047 -11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.544 9.702 -11.333 1.00 0.00 H new ATOM 1348 N LYS A 83 -10.685 7.928 -8.721 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.307 6.625 -8.913 1.00 0.00 C ATOM 1350 C LYS A 83 -10.410 5.507 -8.394 1.00 0.00 C ATOM 1351 O LYS A 83 -9.365 5.226 -8.974 1.00 0.00 O ATOM 1352 CB LYS A 83 -11.593 6.341 -10.394 1.00 0.00 C ATOM 1353 CG LYS A 83 -12.605 7.284 -11.037 1.00 0.00 C ATOM 1354 CD LYS A 83 -12.958 6.787 -12.441 1.00 0.00 C ATOM 1355 CE LYS A 83 -13.956 7.731 -13.117 1.00 0.00 C ATOM 1356 NZ LYS A 83 -14.245 7.256 -14.456 1.00 0.00 N ATOM 0 H LYS A 83 -9.668 7.886 -8.652 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.244 6.652 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.657 6.400 -10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.957 5.318 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.505 7.339 -10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.193 8.292 -11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.053 6.715 -13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.382 5.785 -12.381 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.875 7.784 -12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.546 8.740 -13.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.923 7.898 -14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.366 7.227 -15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.653 6.301 -14.405 1.00 0.00 H new ATOM 1369 N VAL A 84 -10.870 4.798 -7.361 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.331 3.488 -7.032 1.00 0.00 C ATOM 1371 C VAL A 84 -10.907 2.478 -8.030 1.00 0.00 C ATOM 1372 O VAL A 84 -11.950 1.869 -7.799 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.524 3.157 -5.543 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.940 3.422 -5.025 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -10.082 1.721 -5.240 1.00 0.00 C ATOM 0 H VAL A 84 -11.615 5.114 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.247 3.455 -7.145 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.880 3.848 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.995 3.164 -3.967 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.183 4.477 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.652 2.815 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.228 1.511 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.675 1.025 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.028 1.604 -5.491 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.223 2.343 -9.172 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.662 1.546 -10.303 1.00 0.00 C ATOM 1387 C ASP A 85 -10.162 0.119 -10.105 1.00 0.00 C ATOM 1388 O ASP A 85 -9.276 -0.345 -10.824 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.122 2.181 -11.592 1.00 0.00 C ATOM 1390 CG ASP A 85 -10.606 1.463 -12.852 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -11.746 1.010 -12.890 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -9.708 1.375 -13.875 1.00 0.00 O ATOM 0 H ASP A 85 -9.326 2.801 -9.330 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.749 1.516 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.429 3.226 -11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.032 2.170 -11.569 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.709 -0.557 -9.089 1.00 0.00 N ATOM 1399 CA TYR A 86 -10.186 -1.842 -8.662 1.00 0.00 C ATOM 1400 C TYR A 86 -10.630 -2.969 -9.585 1.00 0.00 C ATOM 1401 O TYR A 86 -11.678 -2.891 -10.224 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.524 -2.134 -7.189 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.693 -3.070 -6.940 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -13.011 -2.581 -6.960 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.456 -4.434 -6.676 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -14.085 -3.444 -6.682 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.529 -5.295 -6.398 1.00 0.00 C ATOM 1408 CZ TYR A 86 -13.844 -4.799 -6.396 1.00 0.00 C ATOM 1409 OH TYR A 86 -14.890 -5.630 -6.118 1.00 0.00 O ATOM 0 H TYR A 86 -11.512 -0.229 -8.553 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.100 -1.787 -8.733 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.640 -2.557 -6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.732 -1.187 -6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.198 -1.542 -7.189 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.446 -4.818 -6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -15.097 -3.066 -6.688 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.344 -6.338 -6.186 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.553 -6.533 -5.944 1.00 0.00 H new ATOM 1419 N SER A 87 -9.819 -4.028 -9.612 1.00 0.00 N ATOM 1420 CA SER A 87 -10.133 -5.280 -10.266 1.00 0.00 C ATOM 1421 C SER A 87 -9.678 -6.417 -9.355 1.00 0.00 C ATOM 1422 O SER A 87 -8.491 -6.561 -9.075 1.00 0.00 O ATOM 1423 CB SER A 87 -9.447 -5.354 -11.633 1.00 0.00 C ATOM 1424 OG SER A 87 -9.938 -4.339 -12.485 1.00 0.00 O ATOM 0 H SER A 87 -8.902 -4.029 -9.164 1.00 0.00 H new ATOM 0 HA SER A 87 -11.206 -5.360 -10.440 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.369 -5.247 -11.513 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.622 -6.331 -12.083 1.00 0.00 H new ATOM 0 HG SER A 87 -9.490 -4.397 -13.355 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.637 -7.231 -8.909 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.380 -8.523 -8.294 1.00 0.00 C ATOM 1432 C PHE A 88 -9.632 -9.392 -9.310 1.00 0.00 C ATOM 1433 O PHE A 88 -10.053 -9.482 -10.462 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.741 -9.121 -7.905 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.753 -10.592 -7.528 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.785 -11.578 -8.534 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -11.883 -10.974 -6.179 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -11.867 -12.937 -8.190 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.010 -12.333 -5.839 1.00 0.00 C ATOM 1440 CZ PHE A 88 -11.978 -13.316 -6.842 1.00 0.00 C ATOM 0 H PHE A 88 -11.629 -7.002 -8.969 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.763 -8.450 -7.399 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.136 -8.550 -7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.428 -8.977 -8.739 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.746 -11.288 -9.573 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.885 -10.222 -5.404 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.845 -13.691 -8.963 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.132 -12.621 -4.805 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.039 -14.361 -6.577 1.00 0.00 H new ATOM 1450 N SER A 89 -8.515 -10.003 -8.893 1.00 0.00 N ATOM 1451 CA SER A 89 -7.673 -10.847 -9.734 1.00 0.00 C ATOM 1452 C SER A 89 -7.462 -12.200 -9.042 1.00 0.00 C ATOM 1453 O SER A 89 -8.215 -12.543 -8.135 1.00 0.00 O ATOM 1454 CB SER A 89 -6.355 -10.116 -10.028 1.00 0.00 C ATOM 1455 OG SER A 89 -6.606 -8.810 -10.506 1.00 0.00 O ATOM 0 H SER A 89 -8.168 -9.918 -7.937 1.00 0.00 H new ATOM 0 HA SER A 89 -8.153 -11.045 -10.692 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.750 -10.068 -9.123 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.780 -10.675 -10.766 1.00 0.00 H new ATOM 0 HG SER A 89 -5.755 -8.359 -10.686 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.442 -12.964 -9.456 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.009 -14.175 -8.768 1.00 0.00 C ATOM 1463 C GLU A 90 -4.486 -14.174 -8.670 1.00 0.00 C ATOM 1464 O GLU A 90 -3.808 -13.705 -9.585 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.559 -15.438 -9.446 1.00 0.00 C ATOM 1466 CG GLU A 90 -6.023 -15.666 -10.862 1.00 0.00 C ATOM 1467 CD GLU A 90 -6.674 -16.886 -11.506 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -6.022 -17.917 -11.648 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -7.975 -16.733 -11.887 1.00 0.00 O ATOM 0 H GLU A 90 -5.892 -12.751 -10.288 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.417 -14.185 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.314 -16.304 -8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.646 -15.373 -9.486 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.213 -14.783 -11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.942 -15.802 -10.827 1.00 0.00 H new ATOM 1477 N TYR A 91 -3.965 -14.641 -7.530 1.00 0.00 N ATOM 1478 CA TYR A 91 -2.567 -14.540 -7.163 1.00 0.00 C ATOM 1479 C TYR A 91 -1.630 -15.126 -8.218 1.00 0.00 C ATOM 1480 O TYR A 91 -1.860 -16.223 -8.721 1.00 0.00 O ATOM 1481 CB TYR A 91 -2.351 -15.191 -5.793 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.470 -16.705 -5.747 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -3.732 -17.330 -5.785 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.309 -17.495 -5.642 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -3.833 -18.728 -5.696 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -1.409 -18.893 -5.553 1.00 0.00 C ATOM 1487 CZ TYR A 91 -2.673 -19.510 -5.561 1.00 0.00 C ATOM 1488 OH TYR A 91 -2.778 -20.866 -5.440 1.00 0.00 O ATOM 0 H TYR A 91 -4.530 -15.112 -6.823 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.313 -13.482 -7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.360 -14.914 -5.434 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.073 -14.769 -5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.626 -16.732 -5.883 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.337 -17.024 -5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.803 -19.202 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.515 -19.495 -5.478 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.883 -21.257 -5.357 1.00 0.00 H new ATOM 1498 N LYS A 92 -0.555 -14.389 -8.518 1.00 0.00 N ATOM 1499 CA LYS A 92 0.579 -14.913 -9.258 1.00 0.00 C ATOM 1500 C LYS A 92 1.357 -15.843 -8.325 1.00 0.00 C ATOM 1501 O LYS A 92 1.541 -17.022 -8.622 1.00 0.00 O ATOM 1502 CB LYS A 92 1.442 -13.746 -9.765 1.00 0.00 C ATOM 1503 CG LYS A 92 2.787 -14.177 -10.371 1.00 0.00 C ATOM 1504 CD LYS A 92 2.685 -15.247 -11.468 1.00 0.00 C ATOM 1505 CE LYS A 92 1.886 -14.779 -12.689 1.00 0.00 C ATOM 1506 NZ LYS A 92 1.787 -15.862 -13.651 1.00 0.00 N ATOM 0 H LYS A 92 -0.455 -13.410 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 92 0.259 -15.480 -10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.879 -13.191 -10.515 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.631 -13.062 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.281 -13.298 -10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 92 3.425 -14.555 -9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.688 -15.531 -11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.216 -16.140 -11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.890 -14.459 -12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.372 -13.917 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.245 -15.543 -14.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.741 -16.148 -13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.305 -16.673 -13.213 1.00 0.00 H new ATOM 1519 N GLY A 93 1.794 -15.298 -7.187 1.00 0.00 N ATOM 1520 CA GLY A 93 2.536 -16.004 -6.161 1.00 0.00 C ATOM 1521 C GLY A 93 2.613 -15.116 -4.921 1.00 0.00 C ATOM 1522 O GLY A 93 2.044 -14.023 -4.902 1.00 0.00 O ATOM 0 H GLY A 93 1.631 -14.318 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.046 -16.948 -5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.538 -16.246 -6.517 1.00 0.00 H new ATOM 1526 N GLU A 94 3.309 -15.588 -3.884 1.00 0.00 N ATOM 1527 CA GLU A 94 3.493 -14.860 -2.645 1.00 0.00 C ATOM 1528 C GLU A 94 4.299 -13.587 -2.890 1.00 0.00 C ATOM 1529 O GLU A 94 5.423 -13.623 -3.387 1.00 0.00 O ATOM 1530 CB GLU A 94 4.095 -15.740 -1.540 1.00 0.00 C ATOM 1531 CG GLU A 94 5.413 -16.439 -1.908 1.00 0.00 C ATOM 1532 CD GLU A 94 6.064 -17.126 -0.708 1.00 0.00 C ATOM 1533 OE1 GLU A 94 5.582 -16.994 0.415 1.00 0.00 O ATOM 1534 OE2 GLU A 94 7.183 -17.854 -0.983 1.00 0.00 O ATOM 0 H GLU A 94 3.764 -16.501 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 94 2.511 -14.561 -2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.263 -15.123 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.364 -16.500 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.224 -17.177 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.105 -15.707 -2.324 1.00 0.00 H new ATOM 1542 N PHE A 95 3.695 -12.457 -2.530 1.00 0.00 N ATOM 1543 CA PHE A 95 4.328 -11.147 -2.533 1.00 0.00 C ATOM 1544 C PHE A 95 5.332 -11.007 -1.385 1.00 0.00 C ATOM 1545 O PHE A 95 6.286 -10.241 -1.514 1.00 0.00 O ATOM 1546 CB PHE A 95 3.249 -10.060 -2.484 1.00 0.00 C ATOM 1547 CG PHE A 95 2.635 -9.769 -3.840 1.00 0.00 C ATOM 1548 CD1 PHE A 95 1.735 -10.683 -4.418 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.097 -8.676 -4.599 1.00 0.00 C ATOM 1550 CE1 PHE A 95 1.315 -10.522 -5.748 1.00 0.00 C ATOM 1551 CE2 PHE A 95 2.677 -8.514 -5.930 1.00 0.00 C ATOM 1552 CZ PHE A 95 1.790 -9.439 -6.506 1.00 0.00 C ATOM 0 H PHE A 95 2.724 -12.430 -2.220 1.00 0.00 H new ATOM 0 HA PHE A 95 4.897 -11.030 -3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.463 -10.368 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.683 -9.144 -2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.365 -11.513 -3.835 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.775 -7.961 -4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.628 -11.230 -6.188 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.036 -7.678 -6.511 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.473 -9.317 -7.531 1.00 0.00 H new ATOM 1562 N GLU A 96 5.132 -11.754 -0.290 1.00 0.00 N ATOM 1563 CA GLU A 96 6.022 -11.827 0.863 1.00 0.00 C ATOM 1564 C GLU A 96 6.124 -10.472 1.564 1.00 0.00 C ATOM 1565 O GLU A 96 6.969 -9.651 1.217 1.00 0.00 O ATOM 1566 CB GLU A 96 7.390 -12.411 0.482 1.00 0.00 C ATOM 1567 CG GLU A 96 7.212 -13.814 -0.110 1.00 0.00 C ATOM 1568 CD GLU A 96 8.549 -14.502 -0.361 1.00 0.00 C ATOM 1569 OE1 GLU A 96 8.816 -15.541 0.236 1.00 0.00 O ATOM 1570 OE2 GLU A 96 9.368 -13.898 -1.269 1.00 0.00 O ATOM 0 H GLU A 96 4.309 -12.347 -0.185 1.00 0.00 H new ATOM 0 HA GLU A 96 5.589 -12.519 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.884 -11.762 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.033 -12.457 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.614 -14.421 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.658 -13.745 -1.046 1.00 0.00 H new ATOM 1578 N ASP A 97 5.246 -10.258 2.553 1.00 0.00 N ATOM 1579 CA ASP A 97 5.061 -8.995 3.263 1.00 0.00 C ATOM 1580 C ASP A 97 4.449 -7.942 2.333 1.00 0.00 C ATOM 1581 O ASP A 97 4.148 -8.235 1.177 1.00 0.00 O ATOM 1582 CB ASP A 97 6.355 -8.515 3.946 1.00 0.00 C ATOM 1583 CG ASP A 97 6.969 -9.599 4.829 1.00 0.00 C ATOM 1584 OD1 ASP A 97 6.620 -9.689 6.004 1.00 0.00 O ATOM 1585 OD2 ASP A 97 7.886 -10.413 4.232 1.00 0.00 O ATOM 0 H ASP A 97 4.623 -10.992 2.890 1.00 0.00 H new ATOM 0 HA ASP A 97 4.352 -9.163 4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.076 -8.214 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.141 -7.633 4.550 1.00 0.00 H new ATOM 1591 N PHE A 98 4.219 -6.734 2.857 1.00 0.00 N ATOM 1592 CA PHE A 98 3.436 -5.700 2.195 1.00 0.00 C ATOM 1593 C PHE A 98 3.997 -4.337 2.586 1.00 0.00 C ATOM 1594 O PHE A 98 3.647 -3.821 3.647 1.00 0.00 O ATOM 1595 CB PHE A 98 1.976 -5.861 2.641 1.00 0.00 C ATOM 1596 CG PHE A 98 0.880 -5.123 1.896 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.134 -4.067 0.998 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.445 -5.511 2.143 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.074 -3.459 0.306 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.507 -4.889 1.471 1.00 0.00 C ATOM 1601 CZ PHE A 98 -1.246 -3.875 0.539 1.00 0.00 C ATOM 0 H PHE A 98 4.580 -6.448 3.767 1.00 0.00 H new ATOM 0 HA PHE A 98 3.485 -5.785 1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.738 -6.924 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.919 -5.560 3.687 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.146 -3.725 0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.649 -6.295 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.275 -2.671 -0.405 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.524 -5.191 1.671 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.061 -3.414 0.000 1.00 0.00 H new ATOM 1611 N GLU A 99 4.876 -3.768 1.748 1.00 0.00 N ATOM 1612 CA GLU A 99 5.504 -2.479 2.022 1.00 0.00 C ATOM 1613 C GLU A 99 5.183 -1.510 0.889 1.00 0.00 C ATOM 1614 O GLU A 99 4.665 -1.909 -0.150 1.00 0.00 O ATOM 1615 CB GLU A 99 7.011 -2.671 2.252 1.00 0.00 C ATOM 1616 CG GLU A 99 7.688 -1.380 2.740 1.00 0.00 C ATOM 1617 CD GLU A 99 9.096 -1.646 3.265 1.00 0.00 C ATOM 1618 OE1 GLU A 99 9.331 -1.503 4.463 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.018 -2.030 2.337 1.00 0.00 O ATOM 0 H GLU A 99 5.167 -4.191 0.866 1.00 0.00 H new ATOM 0 HA GLU A 99 5.105 -2.042 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.168 -3.462 2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.481 -2.998 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.734 -0.661 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.085 -0.928 3.528 1.00 0.00 H new ATOM 1627 N THR A 100 5.453 -0.225 1.110 1.00 0.00 N ATOM 1628 CA THR A 100 5.072 0.837 0.206 1.00 0.00 C ATOM 1629 C THR A 100 6.277 1.324 -0.597 1.00 0.00 C ATOM 1630 O THR A 100 7.405 1.289 -0.107 1.00 0.00 O ATOM 1631 CB THR A 100 4.427 1.973 1.018 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.410 2.800 1.605 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.521 1.451 2.144 1.00 0.00 C ATOM 0 H THR A 100 5.951 0.104 1.937 1.00 0.00 H new ATOM 0 HA THR A 100 4.344 0.466 -0.516 1.00 0.00 H new ATOM 0 HB THR A 100 3.824 2.538 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.741 3.438 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.091 2.294 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.720 0.848 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.108 0.840 2.830 1.00 0.00 H new ATOM 1641 N TYR A 101 6.023 1.838 -1.806 1.00 0.00 N ATOM 1642 CA TYR A 101 6.919 2.821 -2.403 1.00 0.00 C ATOM 1643 C TYR A 101 6.834 4.099 -1.564 1.00 0.00 C ATOM 1644 O TYR A 101 7.899 4.700 -1.312 1.00 0.00 O ATOM 1645 CB TYR A 101 6.493 3.140 -3.839 1.00 0.00 C ATOM 1646 CG TYR A 101 6.959 2.172 -4.916 1.00 0.00 C ATOM 1647 CD1 TYR A 101 6.842 0.781 -4.745 1.00 0.00 C ATOM 1648 CD2 TYR A 101 7.528 2.674 -6.103 1.00 0.00 C ATOM 1649 CE1 TYR A 101 7.357 -0.101 -5.711 1.00 0.00 C ATOM 1650 CE2 TYR A 101 8.044 1.795 -7.071 1.00 0.00 C ATOM 1651 CZ TYR A 101 7.968 0.405 -6.871 1.00 0.00 C ATOM 1652 OH TYR A 101 8.471 -0.453 -7.805 1.00 0.00 O ATOM 1653 OXT TYR A 101 5.690 4.458 -1.205 1.00 0.00 O ATOM 0 H TYR A 101 5.216 1.591 -2.379 1.00 0.00 H new ATOM 0 HA TYR A 101 7.935 2.426 -2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.404 3.186 -3.870 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.861 4.134 -4.091 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.353 0.388 -3.866 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.568 3.740 -6.270 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.283 -1.168 -5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 101 8.499 2.187 -7.969 1.00 0.00 H new ATOM 0 HH TYR A 101 8.858 0.060 -8.545 1.00 0.00 H new