USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 30 CYS SG : rot 16:sc= -0.123 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.747 K(o=-0.75,f=-0.097) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.45 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.35! C(o=-1.4!,f=-1.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 56 ASN : amide:sc= 0.696 K(o=0.7,f=-1.2) USER MOD Single : A 57 SER OG : rot 180:sc= -0.116 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -115:sc= -1.33 (180deg=-5.25!) USER MOD Single : A 71 HIS : no HE2:sc= -9.27! C(o=-9.3!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 78 MET CE :methyl 170:sc= -1.11 (180deg=-1.28) USER MOD Single : A 79 MET CE :methyl 172:sc= 0 (180deg=-0.092) USER MOD Single : A 80 HIS : no HD1:sc= -14.5! C(o=-15!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -6.69! C(o=-6.7!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 5.670 7.838 13.906 1.00 0.00 N ATOM 170 CA ALA A 15 5.020 6.614 13.470 1.00 0.00 C ATOM 171 C ALA A 15 4.796 6.672 11.957 1.00 0.00 C ATOM 172 O ALA A 15 4.478 7.728 11.413 1.00 0.00 O ATOM 173 CB ALA A 15 3.715 6.423 14.246 1.00 0.00 C ATOM 0 HA ALA A 15 5.651 5.750 13.677 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.228 5.505 13.918 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.932 6.358 15.312 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.054 7.270 14.061 1.00 0.00 H new ATOM 179 N LEU A 16 4.971 5.523 11.321 1.00 0.00 N ATOM 180 CA LEU A 16 4.792 5.429 9.882 1.00 0.00 C ATOM 181 C LEU A 16 3.322 5.139 9.573 1.00 0.00 C ATOM 182 O LEU A 16 2.596 4.622 10.421 1.00 0.00 O ATOM 183 CB LEU A 16 5.759 4.404 9.287 1.00 0.00 C ATOM 184 CG LEU A 16 7.228 4.556 9.688 1.00 0.00 C ATOM 185 CD1 LEU A 16 8.039 3.326 9.274 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.820 5.849 9.124 1.00 0.00 C ATOM 0 H LEU A 16 5.235 4.649 11.776 1.00 0.00 H new ATOM 0 HA LEU A 16 5.037 6.378 9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.425 3.408 9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.692 4.459 8.200 1.00 0.00 H new ATOM 0 HG LEU A 16 7.280 4.626 10.775 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.079 3.459 9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.633 2.441 9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.983 3.200 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.865 5.932 9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.755 5.835 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.263 6.703 9.510 1.00 0.00 H new ATOM 198 N PRO A 17 2.916 5.494 8.325 1.00 0.00 N ATOM 199 CA PRO A 17 1.546 5.278 7.893 1.00 0.00 C ATOM 200 C PRO A 17 1.293 3.799 7.593 1.00 0.00 C ATOM 201 O PRO A 17 2.234 3.030 7.406 1.00 0.00 O ATOM 202 CB PRO A 17 1.371 6.170 6.675 1.00 0.00 C ATOM 203 CG PRO A 17 2.775 6.496 6.193 1.00 0.00 C ATOM 204 CD PRO A 17 3.748 6.109 7.294 1.00 0.00 C ATOM 0 HA PRO A 17 0.817 5.532 8.663 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.799 5.663 5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.825 7.078 6.931 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.000 5.951 5.276 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.862 7.558 5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.504 5.414 6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.277 6.981 7.680 1.00 0.00 H new ATOM 212 N VAL A 18 0.016 3.446 7.556 1.00 0.00 N ATOM 213 CA VAL A 18 -0.372 2.073 7.282 1.00 0.00 C ATOM 214 C VAL A 18 -0.875 1.968 5.840 1.00 0.00 C ATOM 215 O VAL A 18 -1.787 2.691 5.443 1.00 0.00 O ATOM 216 CB VAL A 18 -1.405 1.606 8.310 1.00 0.00 C ATOM 217 CG1 VAL A 18 -1.865 0.177 8.014 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.853 1.721 9.732 1.00 0.00 C ATOM 0 H VAL A 18 -0.762 4.087 7.711 1.00 0.00 H new ATOM 0 HA VAL A 18 0.486 1.407 7.377 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.274 2.260 8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.599 -0.131 8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.316 0.138 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.008 -0.496 8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.607 1.383 10.443 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.039 1.102 9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.598 2.760 9.940 1.00 0.00 H new ATOM 228 N LEU A 19 -0.257 1.062 5.096 1.00 0.00 N ATOM 229 CA LEU A 19 -0.630 0.854 3.708 1.00 0.00 C ATOM 230 C LEU A 19 -1.304 -0.512 3.565 1.00 0.00 C ATOM 231 O LEU A 19 -0.664 -1.547 3.750 1.00 0.00 O ATOM 232 CB LEU A 19 0.583 1.039 2.793 1.00 0.00 C ATOM 233 CG LEU A 19 0.317 0.912 1.292 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.105 2.255 0.694 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.527 0.317 0.569 1.00 0.00 C ATOM 0 H LEU A 19 0.499 0.464 5.429 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.356 1.604 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.010 2.023 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.338 0.304 3.071 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.514 0.221 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.288 2.136 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.016 2.600 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.688 2.987 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.311 0.238 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.393 0.962 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.740 -0.674 0.971 1.00 0.00 H new ATOM 247 N THR A 20 -2.587 -0.472 3.237 1.00 0.00 N ATOM 248 CA THR A 20 -3.355 -1.694 3.067 1.00 0.00 C ATOM 249 C THR A 20 -3.085 -2.306 1.692 1.00 0.00 C ATOM 250 O THR A 20 -3.434 -1.720 0.668 1.00 0.00 O ATOM 251 CB THR A 20 -4.829 -1.363 3.307 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.801 -0.380 4.339 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.599 -2.531 3.926 1.00 0.00 C ATOM 0 H THR A 20 -3.114 0.388 3.084 1.00 0.00 H new ATOM 0 HA THR A 20 -3.056 -2.453 3.790 1.00 0.00 H new ATOM 0 HB THR A 20 -5.295 -1.081 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.717 -0.107 4.556 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.639 -2.243 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.553 -3.391 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.154 -2.792 4.886 1.00 0.00 H new ATOM 261 N LEU A 21 -2.467 -3.478 1.712 1.00 0.00 N ATOM 262 CA LEU A 21 -2.147 -4.176 0.478 1.00 0.00 C ATOM 263 C LEU A 21 -3.074 -5.384 0.326 1.00 0.00 C ATOM 264 O LEU A 21 -3.106 -6.259 1.189 1.00 0.00 O ATOM 265 CB LEU A 21 -0.660 -4.533 0.436 1.00 0.00 C ATOM 266 CG LEU A 21 -0.280 -5.719 -0.454 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.887 -5.572 -1.851 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.238 -5.902 -0.505 1.00 0.00 C ATOM 0 H LEU A 21 -2.179 -3.962 2.563 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.321 -3.530 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.106 -3.658 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.329 -4.746 1.452 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.699 -6.624 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.602 -6.427 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.973 -5.528 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.519 -4.656 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.481 -6.751 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.700 -5.001 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.616 -6.085 0.501 1.00 0.00 H new ATOM 280 N PHE A 22 -3.805 -5.392 -0.779 1.00 0.00 N ATOM 281 CA PHE A 22 -4.730 -6.477 -1.056 1.00 0.00 C ATOM 282 C PHE A 22 -4.252 -7.317 -2.243 1.00 0.00 C ATOM 283 O PHE A 22 -4.451 -6.939 -3.396 1.00 0.00 O ATOM 284 CB PHE A 22 -6.076 -5.840 -1.408 1.00 0.00 C ATOM 285 CG PHE A 22 -6.801 -5.217 -0.213 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.382 -6.016 0.722 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.864 -3.864 -0.086 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.054 -5.438 1.831 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.537 -3.286 1.023 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.118 -4.085 1.958 1.00 0.00 C ATOM 0 H PHE A 22 -3.775 -4.664 -1.493 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.804 -7.132 -0.188 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.916 -5.071 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.719 -6.598 -1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.332 -7.090 0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.402 -3.230 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.514 -6.072 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.587 -2.212 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.630 -3.645 2.801 1.00 0.00 H new ATOM 300 N THR A 23 -3.629 -8.440 -1.918 1.00 0.00 N ATOM 301 CA THR A 23 -3.120 -9.336 -2.943 1.00 0.00 C ATOM 302 C THR A 23 -3.917 -10.642 -2.953 1.00 0.00 C ATOM 303 O THR A 23 -4.747 -10.874 -2.075 1.00 0.00 O ATOM 304 CB THR A 23 -1.624 -9.539 -2.693 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.321 -10.757 -3.368 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.311 -9.838 -1.225 1.00 0.00 C ATOM 0 H THR A 23 -3.465 -8.750 -0.960 1.00 0.00 H new ATOM 0 HA THR A 23 -3.243 -8.909 -3.938 1.00 0.00 H new ATOM 0 HB THR A 23 -1.080 -8.648 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.369 -10.964 -3.259 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.236 -9.974 -1.102 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.645 -9.006 -0.605 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.828 -10.748 -0.921 1.00 0.00 H new ATOM 314 N LYS A 24 -3.636 -11.462 -3.955 1.00 0.00 N ATOM 315 CA LYS A 24 -4.316 -12.738 -4.091 1.00 0.00 C ATOM 316 C LYS A 24 -3.478 -13.667 -4.973 1.00 0.00 C ATOM 317 O LYS A 24 -2.386 -13.300 -5.404 1.00 0.00 O ATOM 318 CB LYS A 24 -5.745 -12.533 -4.598 1.00 0.00 C ATOM 319 CG LYS A 24 -5.749 -12.105 -6.067 1.00 0.00 C ATOM 320 CD LYS A 24 -6.992 -12.630 -6.788 1.00 0.00 C ATOM 321 CE LYS A 24 -6.628 -13.218 -8.153 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.810 -13.234 -9.043 1.00 0.00 N ATOM 0 H LYS A 24 -2.946 -11.267 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.414 -13.222 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.312 -13.457 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.244 -11.776 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.718 -11.017 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.852 -12.479 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.476 -13.392 -6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.711 -11.821 -6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.831 -12.630 -8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.245 -14.231 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.545 -13.636 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.559 -13.814 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.158 -12.263 -9.176 1.00 0.00 H new ATOM 385 N LEU A 29 0.824 -9.796 -10.693 1.00 0.00 N ATOM 386 CA LEU A 29 0.861 -8.370 -10.415 1.00 0.00 C ATOM 387 C LEU A 29 1.057 -8.153 -8.913 1.00 0.00 C ATOM 388 O LEU A 29 2.042 -7.549 -8.493 1.00 0.00 O ATOM 389 CB LEU A 29 -0.385 -7.682 -10.978 1.00 0.00 C ATOM 390 CG LEU A 29 -0.768 -8.058 -12.411 1.00 0.00 C ATOM 391 CD1 LEU A 29 -1.787 -7.071 -12.982 1.00 0.00 C ATOM 392 CD2 LEU A 29 0.473 -8.178 -13.297 1.00 0.00 C ATOM 0 HA LEU A 29 1.709 -7.905 -10.918 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.228 -7.910 -10.326 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.231 -6.604 -10.935 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.245 -9.038 -12.391 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.042 -7.361 -14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.686 -7.079 -12.366 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.360 -6.068 -12.986 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.172 -8.446 -14.310 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.000 -7.224 -13.315 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.132 -8.949 -12.898 1.00 0.00 H new ATOM 404 N CYS A 30 0.102 -8.657 -8.145 1.00 0.00 N ATOM 405 CA CYS A 30 0.158 -8.526 -6.699 1.00 0.00 C ATOM 406 C CYS A 30 1.598 -8.777 -6.248 1.00 0.00 C ATOM 407 O CYS A 30 2.265 -7.868 -5.756 1.00 0.00 O ATOM 408 CB CYS A 30 -0.829 -9.469 -6.007 1.00 0.00 C ATOM 409 SG CYS A 30 -2.515 -9.204 -6.667 1.00 0.00 S ATOM 0 H CYS A 30 -0.715 -9.157 -8.497 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.141 -7.518 -6.412 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.527 -10.504 -6.164 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.819 -9.294 -4.931 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.445 -8.538 -7.781 1.00 0.00 H new ATOM 415 N ASP A 31 2.035 -10.014 -6.434 1.00 0.00 N ATOM 416 CA ASP A 31 3.385 -10.396 -6.053 1.00 0.00 C ATOM 417 C ASP A 31 4.355 -9.278 -6.440 1.00 0.00 C ATOM 418 O ASP A 31 5.099 -8.778 -5.598 1.00 0.00 O ATOM 419 CB ASP A 31 3.821 -11.672 -6.775 1.00 0.00 C ATOM 420 CG ASP A 31 4.872 -12.504 -6.039 1.00 0.00 C ATOM 421 OD1 ASP A 31 5.641 -11.893 -5.266 1.00 0.00 O ATOM 422 OD2 ASP A 31 4.883 -13.734 -6.265 1.00 0.00 O ATOM 0 H ASP A 31 1.479 -10.765 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 31 3.395 -10.570 -4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.942 -12.293 -6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.215 -11.401 -7.755 1.00 0.00 H new ATOM 427 N GLU A 32 4.315 -8.919 -7.715 1.00 0.00 N ATOM 428 CA GLU A 32 5.182 -7.870 -8.225 1.00 0.00 C ATOM 429 C GLU A 32 5.011 -6.593 -7.399 1.00 0.00 C ATOM 430 O GLU A 32 5.988 -6.037 -6.900 1.00 0.00 O ATOM 431 CB GLU A 32 4.910 -7.606 -9.707 1.00 0.00 C ATOM 432 CG GLU A 32 6.183 -7.156 -10.426 1.00 0.00 C ATOM 433 CD GLU A 32 6.370 -7.919 -11.739 1.00 0.00 C ATOM 434 OE1 GLU A 32 5.758 -7.486 -12.739 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.121 -8.918 -11.713 1.00 0.00 O ATOM 0 H GLU A 32 3.696 -9.336 -8.410 1.00 0.00 H new ATOM 0 HA GLU A 32 6.216 -8.203 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.523 -8.511 -10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.141 -6.841 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.132 -6.086 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.046 -7.319 -9.781 1.00 0.00 H new ATOM 442 N ALA A 33 3.762 -6.166 -7.282 1.00 0.00 N ATOM 443 CA ALA A 33 3.451 -4.964 -6.526 1.00 0.00 C ATOM 444 C ALA A 33 4.357 -4.892 -5.295 1.00 0.00 C ATOM 445 O ALA A 33 5.111 -3.934 -5.131 1.00 0.00 O ATOM 446 CB ALA A 33 1.966 -4.964 -6.157 1.00 0.00 C ATOM 0 H ALA A 33 2.954 -6.630 -7.697 1.00 0.00 H new ATOM 0 HA ALA A 33 3.639 -4.074 -7.126 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.732 -4.063 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.365 -4.987 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.742 -5.842 -5.552 1.00 0.00 H new ATOM 452 N LYS A 34 4.254 -5.917 -4.462 1.00 0.00 N ATOM 453 CA LYS A 34 5.055 -5.982 -3.252 1.00 0.00 C ATOM 454 C LYS A 34 6.504 -5.624 -3.585 1.00 0.00 C ATOM 455 O LYS A 34 7.101 -4.768 -2.934 1.00 0.00 O ATOM 456 CB LYS A 34 4.898 -7.347 -2.578 1.00 0.00 C ATOM 457 CG LYS A 34 3.451 -7.576 -2.135 1.00 0.00 C ATOM 458 CD LYS A 34 3.039 -9.035 -2.344 1.00 0.00 C ATOM 459 CE LYS A 34 2.852 -9.750 -1.005 1.00 0.00 C ATOM 460 NZ LYS A 34 4.015 -10.616 -0.713 1.00 0.00 N ATOM 0 H LYS A 34 3.627 -6.710 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 34 4.705 -5.250 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.200 -8.135 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.561 -7.409 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.342 -7.311 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.786 -6.922 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.111 -9.076 -2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.798 -9.550 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.728 -9.016 -0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.942 -10.349 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.872 -11.094 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.115 -11.328 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.877 -10.036 -0.668 1.00 0.00 H new ATOM 474 N GLU A 35 7.029 -6.297 -4.598 1.00 0.00 N ATOM 475 CA GLU A 35 8.397 -6.061 -5.025 1.00 0.00 C ATOM 476 C GLU A 35 8.618 -4.572 -5.299 1.00 0.00 C ATOM 477 O GLU A 35 9.732 -4.069 -5.157 1.00 0.00 O ATOM 478 CB GLU A 35 8.740 -6.901 -6.257 1.00 0.00 C ATOM 479 CG GLU A 35 8.228 -8.335 -6.102 1.00 0.00 C ATOM 480 CD GLU A 35 9.021 -9.299 -6.987 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.240 -9.063 -7.133 1.00 0.00 O ATOM 482 OE2 GLU A 35 8.390 -10.250 -7.497 1.00 0.00 O ATOM 0 H GLU A 35 6.531 -7.006 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 35 9.066 -6.366 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.300 -6.448 -7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.820 -6.911 -6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.308 -8.643 -5.060 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.171 -8.378 -6.367 1.00 0.00 H new ATOM 489 N VAL A 36 7.539 -3.908 -5.687 1.00 0.00 N ATOM 490 CA VAL A 36 7.601 -2.486 -5.982 1.00 0.00 C ATOM 491 C VAL A 36 7.565 -1.696 -4.672 1.00 0.00 C ATOM 492 O VAL A 36 7.981 -0.539 -4.629 1.00 0.00 O ATOM 493 CB VAL A 36 6.474 -2.102 -6.943 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.658 -0.674 -7.461 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.377 -3.097 -8.100 1.00 0.00 C ATOM 0 H VAL A 36 6.617 -4.328 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 36 8.537 -2.240 -6.484 1.00 0.00 H new ATOM 0 HB VAL A 36 5.535 -2.139 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.844 -0.426 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.653 0.021 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.608 -0.598 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.568 -2.801 -8.768 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.317 -3.107 -8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.176 -4.094 -7.707 1.00 0.00 H new ATOM 505 N LEU A 37 7.063 -2.352 -3.636 1.00 0.00 N ATOM 506 CA LEU A 37 6.968 -1.725 -2.328 1.00 0.00 C ATOM 507 C LEU A 37 8.146 -2.178 -1.463 1.00 0.00 C ATOM 508 O LEU A 37 8.117 -2.029 -0.242 1.00 0.00 O ATOM 509 CB LEU A 37 5.601 -2.003 -1.700 1.00 0.00 C ATOM 510 CG LEU A 37 4.392 -1.427 -2.441 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.157 -1.401 -1.539 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.710 -0.047 -3.019 1.00 0.00 C ATOM 0 H LEU A 37 6.718 -3.311 -3.676 1.00 0.00 H new ATOM 0 HA LEU A 37 7.038 -0.641 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.473 -3.082 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.602 -1.606 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 37 4.162 -2.082 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.313 -0.987 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.919 -2.415 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.358 -0.782 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.834 0.340 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.981 0.632 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.542 -0.128 -3.718 1.00 0.00 H new ATOM 524 N GLN A 38 9.154 -2.720 -2.130 1.00 0.00 N ATOM 525 CA GLN A 38 10.340 -3.195 -1.437 1.00 0.00 C ATOM 526 C GLN A 38 11.079 -2.025 -0.786 1.00 0.00 C ATOM 527 O GLN A 38 11.400 -2.072 0.401 1.00 0.00 O ATOM 528 CB GLN A 38 11.260 -3.963 -2.388 1.00 0.00 C ATOM 529 CG GLN A 38 11.154 -5.472 -2.154 1.00 0.00 C ATOM 530 CD GLN A 38 12.541 -6.108 -2.047 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.778 -7.015 -1.265 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.442 -5.584 -2.873 1.00 0.00 N ATOM 0 H GLN A 38 9.174 -2.841 -3.143 1.00 0.00 H new ATOM 0 HA GLN A 38 10.027 -3.883 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.997 -3.732 -3.420 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.291 -3.640 -2.242 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.591 -5.663 -1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.601 -5.933 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.177 -4.826 -3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.398 -5.940 -2.877 1.00 0.00 H new ATOM 541 N PRO A 39 11.333 -0.974 -1.611 1.00 0.00 N ATOM 542 CA PRO A 39 12.028 0.206 -1.128 1.00 0.00 C ATOM 543 C PRO A 39 11.108 1.067 -0.260 1.00 0.00 C ATOM 544 O PRO A 39 11.515 2.121 0.227 1.00 0.00 O ATOM 545 CB PRO A 39 12.505 0.923 -2.381 1.00 0.00 C ATOM 546 CG PRO A 39 11.665 0.371 -3.522 1.00 0.00 C ATOM 547 CD PRO A 39 10.967 -0.884 -3.022 1.00 0.00 C ATOM 0 HA PRO A 39 12.870 -0.038 -0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.376 2.001 -2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.566 0.743 -2.554 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.934 1.110 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.294 0.141 -4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.887 -0.813 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.294 -1.766 -3.573 1.00 0.00 H new ATOM 555 N TYR A 40 9.885 0.587 -0.093 1.00 0.00 N ATOM 556 CA TYR A 40 8.904 1.299 0.708 1.00 0.00 C ATOM 557 C TYR A 40 8.372 0.415 1.838 1.00 0.00 C ATOM 558 O TYR A 40 7.441 0.798 2.544 1.00 0.00 O ATOM 559 CB TYR A 40 7.753 1.640 -0.241 1.00 0.00 C ATOM 560 CG TYR A 40 8.178 2.442 -1.473 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.222 3.820 -1.418 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.519 1.787 -2.639 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.623 4.575 -2.577 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.919 2.541 -3.798 1.00 0.00 C ATOM 565 CZ TYR A 40 8.951 3.898 -3.710 1.00 0.00 C ATOM 566 OH TYR A 40 9.330 4.610 -4.805 1.00 0.00 O ATOM 0 H TYR A 40 9.551 -0.287 -0.499 1.00 0.00 H new ATOM 0 HA TYR A 40 9.349 2.185 1.162 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.280 0.714 -0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.000 2.207 0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.956 4.333 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.486 0.708 -2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.662 5.654 -2.547 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.188 2.041 -4.717 1.00 0.00 H new ATOM 0 HH TYR A 40 9.536 3.995 -5.540 1.00 0.00 H new ATOM 576 N LYS A 41 8.988 -0.750 1.974 1.00 0.00 N ATOM 577 CA LYS A 41 8.589 -1.691 3.007 1.00 0.00 C ATOM 578 C LYS A 41 8.823 -1.063 4.382 1.00 0.00 C ATOM 579 O LYS A 41 8.084 -1.334 5.327 1.00 0.00 O ATOM 580 CB LYS A 41 9.300 -3.032 2.814 1.00 0.00 C ATOM 581 CG LYS A 41 10.726 -2.981 3.366 1.00 0.00 C ATOM 582 CD LYS A 41 11.384 -4.361 3.315 1.00 0.00 C ATOM 583 CE LYS A 41 12.582 -4.362 2.363 1.00 0.00 C ATOM 584 NZ LYS A 41 13.844 -4.525 3.119 1.00 0.00 N ATOM 0 H LYS A 41 9.760 -1.064 1.386 1.00 0.00 H new ATOM 0 HA LYS A 41 7.523 -1.908 2.933 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.740 -3.820 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.325 -3.285 1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.318 -2.271 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.709 -2.620 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.709 -4.650 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.655 -5.103 2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.478 -5.170 1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.607 -3.430 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.647 -4.524 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.949 -3.740 3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.824 -5.426 3.638 1.00 0.00 H new ATOM 598 N ASP A 42 9.855 -0.235 4.451 1.00 0.00 N ATOM 599 CA ASP A 42 10.197 0.434 5.695 1.00 0.00 C ATOM 600 C ASP A 42 9.561 1.825 5.711 1.00 0.00 C ATOM 601 O ASP A 42 9.480 2.462 6.760 1.00 0.00 O ATOM 602 CB ASP A 42 11.711 0.604 5.831 1.00 0.00 C ATOM 603 CG ASP A 42 12.302 0.101 7.149 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.537 0.066 8.137 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.506 -0.237 7.139 1.00 0.00 O ATOM 0 H ASP A 42 10.466 -0.012 3.665 1.00 0.00 H new ATOM 0 HA ASP A 42 9.828 -0.176 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.196 0.078 5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.954 1.661 5.721 1.00 0.00 H new ATOM 610 N ARG A 43 9.126 2.256 4.536 1.00 0.00 N ATOM 611 CA ARG A 43 8.500 3.561 4.403 1.00 0.00 C ATOM 612 C ARG A 43 7.135 3.568 5.094 1.00 0.00 C ATOM 613 O ARG A 43 6.517 4.621 5.244 1.00 0.00 O ATOM 614 CB ARG A 43 8.320 3.937 2.931 1.00 0.00 C ATOM 615 CG ARG A 43 9.660 4.307 2.291 1.00 0.00 C ATOM 616 CD ARG A 43 10.138 5.678 2.775 1.00 0.00 C ATOM 617 NE ARG A 43 10.905 5.533 4.032 1.00 0.00 N ATOM 618 CZ ARG A 43 11.290 6.561 4.800 1.00 0.00 C ATOM 619 NH1 ARG A 43 10.981 7.815 4.445 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.983 6.334 5.924 1.00 0.00 N ATOM 0 H ARG A 43 9.195 1.725 3.668 1.00 0.00 H new ATOM 0 HA ARG A 43 9.155 4.293 4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.873 3.102 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.629 4.776 2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.405 3.550 2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.559 4.315 1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.760 6.145 2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.283 6.335 2.935 1.00 0.00 H new ATOM 0 HE ARG A 43 11.156 4.591 4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.452 7.987 3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.274 8.598 5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.217 5.379 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.276 7.116 6.509 1.00 0.00 H new ATOM 634 N PHE A 44 6.706 2.381 5.498 1.00 0.00 N ATOM 635 CA PHE A 44 5.426 2.238 6.170 1.00 0.00 C ATOM 636 C PHE A 44 5.142 0.771 6.502 1.00 0.00 C ATOM 637 O PHE A 44 5.954 -0.104 6.206 1.00 0.00 O ATOM 638 CB PHE A 44 4.354 2.747 5.204 1.00 0.00 C ATOM 639 CG PHE A 44 4.476 2.184 3.787 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.277 0.858 3.562 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.782 3.011 2.751 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.390 0.335 2.247 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.895 2.489 1.435 1.00 0.00 C ATOM 644 CZ PHE A 44 4.697 1.162 1.211 1.00 0.00 C ATOM 0 H PHE A 44 7.222 1.510 5.373 1.00 0.00 H new ATOM 0 HA PHE A 44 5.431 2.800 7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.371 2.493 5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.408 3.835 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.033 0.202 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.939 4.065 2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.232 -0.719 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.138 3.145 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.783 0.765 0.210 1.00 0.00 H new ATOM 654 N ILE A 45 3.987 0.549 7.111 1.00 0.00 N ATOM 655 CA ILE A 45 3.586 -0.797 7.486 1.00 0.00 C ATOM 656 C ILE A 45 2.674 -1.373 6.401 1.00 0.00 C ATOM 657 O ILE A 45 1.482 -1.070 6.361 1.00 0.00 O ATOM 658 CB ILE A 45 2.959 -0.800 8.881 1.00 0.00 C ATOM 659 CG1 ILE A 45 4.006 -0.489 9.953 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.234 -2.119 9.154 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.348 0.069 11.217 1.00 0.00 C ATOM 0 H ILE A 45 3.316 1.278 7.354 1.00 0.00 H new ATOM 0 HA ILE A 45 4.457 -1.450 7.552 1.00 0.00 H new ATOM 0 HB ILE A 45 2.211 -0.008 8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.561 -1.394 10.197 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.726 0.232 9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.797 -2.094 10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.444 -2.260 8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.943 -2.944 9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.114 0.281 11.963 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.814 0.987 10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.647 -0.664 11.616 1.00 0.00 H new ATOM 673 N LEU A 46 3.268 -2.194 5.547 1.00 0.00 N ATOM 674 CA LEU A 46 2.524 -2.816 4.465 1.00 0.00 C ATOM 675 C LEU A 46 1.591 -3.883 5.041 1.00 0.00 C ATOM 676 O LEU A 46 2.050 -4.915 5.529 1.00 0.00 O ATOM 677 CB LEU A 46 3.479 -3.346 3.394 1.00 0.00 C ATOM 678 CG LEU A 46 2.823 -3.962 2.156 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.991 -2.922 1.403 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.867 -4.623 1.255 1.00 0.00 C ATOM 0 H LEU A 46 4.257 -2.443 5.583 1.00 0.00 H new ATOM 0 HA LEU A 46 1.895 -2.081 3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.121 -2.527 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.125 -4.097 3.850 1.00 0.00 H new ATOM 0 HG LEU A 46 2.139 -4.745 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.536 -3.385 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.209 -2.538 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.635 -2.101 1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.375 -5.053 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.593 -3.877 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.378 -5.411 1.808 1.00 0.00 H new ATOM 692 N GLN A 47 0.300 -3.599 4.964 1.00 0.00 N ATOM 693 CA GLN A 47 -0.701 -4.522 5.471 1.00 0.00 C ATOM 694 C GLN A 47 -1.169 -5.462 4.358 1.00 0.00 C ATOM 695 O GLN A 47 -1.958 -5.070 3.501 1.00 0.00 O ATOM 696 CB GLN A 47 -1.883 -3.767 6.084 1.00 0.00 C ATOM 697 CG GLN A 47 -2.378 -4.461 7.354 1.00 0.00 C ATOM 698 CD GLN A 47 -2.014 -5.947 7.344 1.00 0.00 C ATOM 699 OE1 GLN A 47 -2.662 -6.768 6.715 1.00 0.00 O ATOM 700 NE2 GLN A 47 -0.943 -6.247 8.075 1.00 0.00 N ATOM 0 H GLN A 47 -0.077 -2.742 4.558 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.247 -5.122 6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.585 -2.745 6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.695 -3.705 5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.940 -3.981 8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.459 -4.348 7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.446 -5.511 8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.619 -7.213 8.133 1.00 0.00 H new ATOM 709 N GLU A 48 -0.662 -6.685 4.409 1.00 0.00 N ATOM 710 CA GLU A 48 -1.017 -7.684 3.415 1.00 0.00 C ATOM 711 C GLU A 48 -2.338 -8.360 3.791 1.00 0.00 C ATOM 712 O GLU A 48 -2.360 -9.268 4.621 1.00 0.00 O ATOM 713 CB GLU A 48 0.100 -8.716 3.251 1.00 0.00 C ATOM 714 CG GLU A 48 0.929 -8.433 1.997 1.00 0.00 C ATOM 715 CD GLU A 48 2.366 -8.928 2.166 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.523 -10.145 2.405 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.276 -8.078 2.053 1.00 0.00 O ATOM 0 H GLU A 48 -0.008 -7.007 5.123 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.147 -7.184 2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.746 -8.701 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.330 -9.716 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.471 -8.921 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.931 -7.362 1.792 1.00 0.00 H new ATOM 724 N VAL A 49 -3.406 -7.891 3.163 1.00 0.00 N ATOM 725 CA VAL A 49 -4.726 -8.439 3.421 1.00 0.00 C ATOM 726 C VAL A 49 -5.017 -9.555 2.416 1.00 0.00 C ATOM 727 O VAL A 49 -4.805 -9.385 1.216 1.00 0.00 O ATOM 728 CB VAL A 49 -5.771 -7.321 3.392 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.180 -7.883 3.594 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.455 -6.248 4.435 1.00 0.00 C ATOM 0 H VAL A 49 -3.384 -7.137 2.476 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.768 -8.880 4.417 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.734 -6.853 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.904 -7.068 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.406 -8.593 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.235 -8.388 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.213 -5.466 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.451 -6.696 5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.476 -5.816 4.228 1.00 0.00 H new ATOM 740 N ASP A 50 -5.496 -10.672 2.942 1.00 0.00 N ATOM 741 CA ASP A 50 -5.818 -11.816 2.106 1.00 0.00 C ATOM 742 C ASP A 50 -7.301 -11.770 1.735 1.00 0.00 C ATOM 743 O ASP A 50 -8.160 -12.096 2.553 1.00 0.00 O ATOM 744 CB ASP A 50 -5.556 -13.130 2.845 1.00 0.00 C ATOM 745 CG ASP A 50 -4.204 -13.781 2.546 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.214 -13.347 3.174 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.191 -14.698 1.697 1.00 0.00 O ATOM 0 H ASP A 50 -5.669 -10.810 3.938 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.189 -11.771 1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.625 -12.946 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.347 -13.836 2.591 1.00 0.00 H new ATOM 752 N ILE A 51 -7.557 -11.364 0.500 1.00 0.00 N ATOM 753 CA ILE A 51 -8.922 -11.271 0.010 1.00 0.00 C ATOM 754 C ILE A 51 -9.392 -12.655 -0.441 1.00 0.00 C ATOM 755 O ILE A 51 -10.587 -12.877 -0.633 1.00 0.00 O ATOM 756 CB ILE A 51 -9.030 -10.200 -1.077 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.164 -10.558 -2.287 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.691 -8.816 -0.519 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.676 -9.866 -3.551 1.00 0.00 C ATOM 0 H ILE A 51 -6.842 -11.096 -0.176 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.592 -10.950 0.808 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.064 -10.164 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.131 -10.263 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.166 -11.638 -2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.775 -8.073 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.384 -8.568 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.672 -8.819 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.043 -10.137 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.700 -10.181 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.650 -8.785 -3.410 1.00 0.00 H new ATOM 771 N THR A 52 -8.428 -13.551 -0.597 1.00 0.00 N ATOM 772 CA THR A 52 -8.729 -14.907 -1.023 1.00 0.00 C ATOM 773 C THR A 52 -9.463 -15.664 0.086 1.00 0.00 C ATOM 774 O THR A 52 -9.906 -16.793 -0.116 1.00 0.00 O ATOM 775 CB THR A 52 -7.417 -15.571 -1.446 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.595 -15.487 -0.286 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.662 -14.757 -2.498 1.00 0.00 C ATOM 0 H THR A 52 -7.438 -13.364 -0.436 1.00 0.00 H new ATOM 0 HA THR A 52 -9.404 -14.912 -1.879 1.00 0.00 H new ATOM 0 HB THR A 52 -7.624 -16.567 -1.838 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.724 -15.896 -0.472 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.739 -15.272 -2.763 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.283 -14.645 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.425 -13.772 -2.095 1.00 0.00 H new ATOM 785 N LEU A 53 -9.569 -15.010 1.234 1.00 0.00 N ATOM 786 CA LEU A 53 -10.241 -15.607 2.376 1.00 0.00 C ATOM 787 C LEU A 53 -11.742 -15.328 2.281 1.00 0.00 C ATOM 788 O LEU A 53 -12.162 -14.390 1.604 1.00 0.00 O ATOM 789 CB LEU A 53 -9.608 -15.125 3.683 1.00 0.00 C ATOM 790 CG LEU A 53 -8.222 -15.689 4.004 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.560 -14.903 5.138 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.297 -17.186 4.311 1.00 0.00 C ATOM 0 H LEU A 53 -9.201 -14.073 1.398 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.116 -16.690 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.538 -14.038 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.280 -15.376 4.504 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.593 -15.573 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.576 -15.324 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.453 -13.859 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.179 -14.965 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.299 -17.562 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.948 -17.349 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.698 -17.715 3.446 1.00 0.00 H new ATOM 804 N PRO A 54 -12.531 -16.182 2.986 1.00 0.00 N ATOM 805 CA PRO A 54 -13.977 -16.037 2.988 1.00 0.00 C ATOM 806 C PRO A 54 -14.409 -14.859 3.864 1.00 0.00 C ATOM 807 O PRO A 54 -15.348 -14.140 3.525 1.00 0.00 O ATOM 808 CB PRO A 54 -14.506 -17.372 3.486 1.00 0.00 C ATOM 809 CG PRO A 54 -13.337 -18.050 4.182 1.00 0.00 C ATOM 810 CD PRO A 54 -12.070 -17.304 3.799 1.00 0.00 C ATOM 0 HA PRO A 54 -14.378 -15.808 2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.340 -17.230 4.173 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.874 -17.979 2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.476 -18.036 5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.269 -19.096 3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.532 -16.958 4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.387 -17.944 3.240 1.00 0.00 H new ATOM 818 N GLU A 55 -13.703 -14.698 4.973 1.00 0.00 N ATOM 819 CA GLU A 55 -14.002 -13.620 5.900 1.00 0.00 C ATOM 820 C GLU A 55 -13.749 -12.264 5.237 1.00 0.00 C ATOM 821 O GLU A 55 -14.363 -11.264 5.607 1.00 0.00 O ATOM 822 CB GLU A 55 -13.185 -13.761 7.187 1.00 0.00 C ATOM 823 CG GLU A 55 -11.685 -13.694 6.894 1.00 0.00 C ATOM 824 CD GLU A 55 -10.872 -13.718 8.191 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.005 -14.720 8.926 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.137 -12.733 8.417 1.00 0.00 O ATOM 0 H GLU A 55 -12.925 -15.296 5.251 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.057 -13.681 6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.459 -12.969 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.423 -14.708 7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.396 -14.535 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.460 -12.785 6.336 1.00 0.00 H new ATOM 833 N ASN A 56 -12.845 -12.274 4.269 1.00 0.00 N ATOM 834 CA ASN A 56 -12.504 -11.058 3.550 1.00 0.00 C ATOM 835 C ASN A 56 -13.160 -11.087 2.168 1.00 0.00 C ATOM 836 O ASN A 56 -12.900 -10.219 1.336 1.00 0.00 O ATOM 837 CB ASN A 56 -10.992 -10.940 3.354 1.00 0.00 C ATOM 838 CG ASN A 56 -10.271 -10.830 4.699 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.697 -10.134 5.606 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.158 -11.553 4.777 1.00 0.00 N ATOM 0 H ASN A 56 -12.338 -13.105 3.965 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.859 -10.209 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.623 -11.810 2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.768 -10.064 2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.605 -11.546 5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.858 -12.114 3.980 1.00 0.00 H new ATOM 847 N SER A 57 -13.997 -12.093 1.966 1.00 0.00 N ATOM 848 CA SER A 57 -14.692 -12.246 0.699 1.00 0.00 C ATOM 849 C SER A 57 -15.146 -10.879 0.183 1.00 0.00 C ATOM 850 O SER A 57 -15.159 -10.641 -1.024 1.00 0.00 O ATOM 851 CB SER A 57 -15.891 -13.186 0.838 1.00 0.00 C ATOM 852 OG SER A 57 -16.889 -12.928 -0.145 1.00 0.00 O ATOM 0 H SER A 57 -14.210 -12.811 2.659 1.00 0.00 H new ATOM 0 HA SER A 57 -14.001 -12.687 -0.019 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.554 -14.219 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.324 -13.076 1.832 1.00 0.00 H new ATOM 0 HG SER A 57 -17.637 -13.550 -0.023 1.00 0.00 H new ATOM 858 N THR A 58 -15.507 -10.018 1.122 1.00 0.00 N ATOM 859 CA THR A 58 -15.960 -8.681 0.778 1.00 0.00 C ATOM 860 C THR A 58 -14.845 -7.904 0.075 1.00 0.00 C ATOM 861 O THR A 58 -15.026 -7.427 -1.044 1.00 0.00 O ATOM 862 CB THR A 58 -16.459 -8.006 2.057 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.824 -8.403 2.150 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.521 -6.483 1.929 1.00 0.00 C ATOM 0 H THR A 58 -15.495 -10.220 2.122 1.00 0.00 H new ATOM 0 HA THR A 58 -16.787 -8.714 0.068 1.00 0.00 H new ATOM 0 HB THR A 58 -15.806 -8.274 2.887 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.225 -8.010 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 58 -16.881 -6.054 2.864 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.526 -6.095 1.711 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.200 -6.213 1.120 1.00 0.00 H new ATOM 872 N TRP A 59 -13.717 -7.801 0.762 1.00 0.00 N ATOM 873 CA TRP A 59 -12.572 -7.090 0.218 1.00 0.00 C ATOM 874 C TRP A 59 -12.394 -7.525 -1.238 1.00 0.00 C ATOM 875 O TRP A 59 -12.034 -6.716 -2.092 1.00 0.00 O ATOM 876 CB TRP A 59 -11.324 -7.327 1.070 1.00 0.00 C ATOM 877 CG TRP A 59 -11.207 -6.392 2.276 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.120 -6.723 3.571 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.167 -4.950 2.244 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.028 -5.605 4.374 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.057 -4.492 3.541 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.223 -4.061 1.156 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.993 -3.133 3.872 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -11.158 -2.706 1.503 1.00 0.00 C ATOM 885 CH2 TRP A 59 -11.047 -2.229 2.804 1.00 0.00 C ATOM 0 H TRP A 59 -13.571 -8.198 1.690 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.740 -6.013 0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.327 -8.359 1.422 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.440 -7.207 0.443 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.122 -7.738 3.940 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -10.953 -5.596 5.391 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.309 -4.397 0.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.907 -2.800 4.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -11.197 -1.981 0.704 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.003 -1.166 2.990 1.00 0.00 H new ATOM 896 N TYR A 60 -12.653 -8.803 -1.477 1.00 0.00 N ATOM 897 CA TYR A 60 -12.526 -9.355 -2.814 1.00 0.00 C ATOM 898 C TYR A 60 -13.748 -9.012 -3.668 1.00 0.00 C ATOM 899 O TYR A 60 -13.609 -8.556 -4.802 1.00 0.00 O ATOM 900 CB TYR A 60 -12.451 -10.873 -2.638 1.00 0.00 C ATOM 901 CG TYR A 60 -12.008 -11.624 -3.895 1.00 0.00 C ATOM 902 CD1 TYR A 60 -12.918 -11.886 -4.900 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.698 -12.040 -4.025 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.500 -12.593 -6.083 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.281 -12.747 -5.208 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.203 -12.989 -6.178 1.00 0.00 C ATOM 907 OH TYR A 60 -10.808 -13.657 -7.296 1.00 0.00 O ATOM 0 H TYR A 60 -12.950 -9.471 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.648 -8.948 -3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.758 -11.101 -1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.430 -11.242 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.943 -11.561 -4.799 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -9.986 -11.835 -3.239 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.201 -12.804 -6.877 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.259 -13.078 -5.322 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.349 -13.365 -8.060 1.00 0.00 H new ATOM 917 N GLU A 61 -14.918 -9.244 -3.091 1.00 0.00 N ATOM 918 CA GLU A 61 -16.163 -8.966 -3.785 1.00 0.00 C ATOM 919 C GLU A 61 -16.197 -7.509 -4.251 1.00 0.00 C ATOM 920 O GLU A 61 -16.992 -7.149 -5.117 1.00 0.00 O ATOM 921 CB GLU A 61 -17.368 -9.285 -2.898 1.00 0.00 C ATOM 922 CG GLU A 61 -17.542 -10.797 -2.733 1.00 0.00 C ATOM 923 CD GLU A 61 -18.964 -11.228 -3.098 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.196 -11.455 -4.305 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.786 -11.322 -2.161 1.00 0.00 O ATOM 0 H GLU A 61 -15.030 -9.622 -2.150 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.218 -9.610 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.237 -8.821 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.270 -8.857 -3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.826 -11.320 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.325 -11.082 -1.703 1.00 0.00 H new ATOM 932 N ARG A 62 -15.324 -6.710 -3.654 1.00 0.00 N ATOM 933 CA ARG A 62 -15.244 -5.300 -3.997 1.00 0.00 C ATOM 934 C ARG A 62 -13.997 -5.030 -4.842 1.00 0.00 C ATOM 935 O ARG A 62 -13.979 -4.102 -5.650 1.00 0.00 O ATOM 936 CB ARG A 62 -15.199 -4.429 -2.740 1.00 0.00 C ATOM 937 CG ARG A 62 -13.846 -4.553 -2.036 1.00 0.00 C ATOM 938 CD ARG A 62 -13.650 -3.423 -1.022 1.00 0.00 C ATOM 939 NE ARG A 62 -14.336 -3.757 0.246 1.00 0.00 N ATOM 940 CZ ARG A 62 -15.626 -3.492 0.495 1.00 0.00 C ATOM 941 NH1 ARG A 62 -16.377 -2.888 -0.435 1.00 0.00 N ATOM 942 NH2 ARG A 62 -16.164 -3.831 1.675 1.00 0.00 N ATOM 0 H ARG A 62 -14.666 -7.012 -2.935 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.137 -5.046 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.380 -3.388 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.996 -4.726 -2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.782 -5.516 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.044 -4.527 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.587 -3.267 -0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.045 -2.490 -1.424 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.793 -4.218 0.976 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.967 -2.630 -1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.359 -2.686 -0.246 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.592 -4.291 2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.146 -3.629 1.865 1.00 0.00 H new ATOM 956 N TYR A 63 -12.984 -5.856 -4.626 1.00 0.00 N ATOM 957 CA TYR A 63 -11.737 -5.718 -5.358 1.00 0.00 C ATOM 958 C TYR A 63 -11.219 -7.081 -5.822 1.00 0.00 C ATOM 959 O TYR A 63 -10.263 -7.611 -5.258 1.00 0.00 O ATOM 960 CB TYR A 63 -10.734 -5.114 -4.372 1.00 0.00 C ATOM 961 CG TYR A 63 -11.038 -3.666 -3.984 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.319 -2.734 -4.962 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.032 -3.291 -2.656 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.605 -1.370 -4.597 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.318 -1.928 -2.291 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.590 -1.035 -3.280 1.00 0.00 C ATOM 967 OH TYR A 63 -11.861 0.253 -2.935 1.00 0.00 O ATOM 0 H TYR A 63 -13.002 -6.623 -3.954 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.879 -5.098 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.715 -5.725 -3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.737 -5.160 -4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.325 -3.027 -6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.813 -4.020 -1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.826 -0.631 -5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.317 -1.622 -1.255 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.816 0.347 -1.961 1.00 0.00 H new ATOM 977 N LYS A 64 -11.874 -7.609 -6.846 1.00 0.00 N ATOM 978 CA LYS A 64 -11.492 -8.900 -7.393 1.00 0.00 C ATOM 979 C LYS A 64 -10.948 -8.708 -8.810 1.00 0.00 C ATOM 980 O LYS A 64 -10.390 -9.635 -9.395 1.00 0.00 O ATOM 981 CB LYS A 64 -12.661 -9.883 -7.311 1.00 0.00 C ATOM 982 CG LYS A 64 -13.846 -9.398 -8.149 1.00 0.00 C ATOM 983 CD LYS A 64 -15.114 -10.186 -7.814 1.00 0.00 C ATOM 984 CE LYS A 64 -16.335 -9.266 -7.766 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.280 -9.714 -6.719 1.00 0.00 N ATOM 0 H LYS A 64 -12.667 -7.166 -7.311 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.691 -9.343 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.341 -10.864 -7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.970 -10.001 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.014 -8.337 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.615 -9.507 -9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.270 -10.965 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.993 -10.686 -6.853 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.019 -8.242 -7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.833 -9.261 -8.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.169 -10.023 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.863 -10.507 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.474 -8.927 -6.067 1.00 0.00 H new ATOM 999 N PHE A 65 -11.129 -7.499 -9.320 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.664 -7.174 -10.658 1.00 0.00 C ATOM 1001 C PHE A 65 -9.928 -5.832 -10.671 1.00 0.00 C ATOM 1002 O PHE A 65 -9.566 -5.329 -11.733 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.902 -7.072 -11.550 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.146 -6.547 -10.831 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.220 -5.239 -10.466 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.178 -7.389 -10.555 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.375 -4.752 -9.798 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.333 -6.902 -9.887 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.407 -5.594 -9.523 1.00 0.00 C ATOM 0 H PHE A 65 -11.591 -6.732 -8.831 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.973 -7.941 -11.008 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.678 -6.417 -12.392 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.122 -8.057 -11.963 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.400 -4.570 -10.684 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.119 -8.428 -10.844 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.434 -3.713 -9.508 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.152 -7.571 -9.668 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.285 -5.224 -9.015 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.730 -5.291 -9.478 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.044 -4.017 -9.339 1.00 0.00 C ATOM 1021 C ASP A 66 -7.640 -4.257 -8.779 1.00 0.00 C ATOM 1022 O ASP A 66 -6.663 -3.710 -9.288 1.00 0.00 O ATOM 1023 CB ASP A 66 -9.787 -3.094 -8.372 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.310 -3.238 -8.382 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -11.771 -4.399 -8.323 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -11.979 -2.185 -8.448 1.00 0.00 O ATOM 0 H ASP A 66 -10.032 -5.711 -8.599 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.000 -3.549 -10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.426 -3.285 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.533 -2.061 -8.612 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.585 -5.076 -7.739 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.317 -5.395 -7.105 1.00 0.00 C ATOM 1033 C ILE A 67 -5.222 -5.468 -8.171 1.00 0.00 C ATOM 1034 O ILE A 67 -5.508 -5.700 -9.344 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.443 -6.668 -6.265 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.202 -7.755 -7.028 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -7.083 -6.368 -4.908 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.411 -8.994 -6.155 1.00 0.00 C ATOM 0 H ILE A 67 -8.398 -5.528 -7.320 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.031 -4.607 -6.408 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.441 -7.050 -6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.168 -7.369 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.648 -8.028 -7.926 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.161 -7.289 -4.331 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.467 -5.651 -4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.078 -5.950 -5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.953 -9.751 -6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.443 -9.392 -5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.986 -8.723 -5.270 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.959 -5.261 -7.713 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.707 -4.992 -6.307 1.00 0.00 C ATOM 1052 C PRO A 68 -4.112 -3.563 -5.941 1.00 0.00 C ATOM 1053 O PRO A 68 -3.774 -2.617 -6.651 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.223 -5.257 -6.115 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.609 -5.212 -7.505 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.741 -5.276 -8.517 1.00 0.00 C ATOM 0 HA PRO A 68 -4.299 -5.624 -5.645 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.773 -4.507 -5.465 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.057 -6.227 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.030 -4.298 -7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.923 -6.047 -7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.708 -4.429 -9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.679 -6.179 -9.124 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.830 -3.450 -4.833 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.285 -2.152 -4.364 1.00 0.00 C ATOM 1066 C VAL A 69 -4.418 -1.709 -3.184 1.00 0.00 C ATOM 1067 O VAL A 69 -3.989 -2.535 -2.380 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.775 -2.212 -4.023 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.244 -0.902 -3.385 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.608 -2.548 -5.261 1.00 0.00 C ATOM 0 H VAL A 69 -5.108 -4.237 -4.246 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.175 -1.402 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.920 -3.010 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.307 -0.971 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.683 -0.722 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.077 -0.079 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.663 -2.584 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.454 -1.782 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.301 -3.517 -5.654 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.186 -0.406 -3.117 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.379 0.156 -2.049 1.00 0.00 C ATOM 1082 C PHE A 70 -4.116 1.298 -1.347 1.00 0.00 C ATOM 1083 O PHE A 70 -4.549 2.252 -1.992 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.105 0.708 -2.693 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.244 -0.355 -3.379 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.507 -0.719 -4.663 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.217 -0.937 -2.704 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.708 -1.705 -5.299 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.583 -1.923 -3.340 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.320 -2.286 -4.624 1.00 0.00 C ATOM 0 H PHE A 70 -4.543 0.276 -3.786 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.160 -0.611 -1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.380 1.467 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.509 1.205 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.324 -0.258 -5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.010 -0.649 -1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.916 -1.994 -6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.400 -2.384 -2.804 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.928 -3.036 -5.108 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.238 1.163 -0.034 1.00 0.00 N ATOM 1101 CA HIS A 71 -4.916 2.172 0.762 1.00 0.00 C ATOM 1102 C HIS A 71 -3.922 2.813 1.733 1.00 0.00 C ATOM 1103 O HIS A 71 -3.314 2.123 2.550 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.135 1.577 1.469 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.138 0.941 0.535 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.220 0.205 0.985 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.211 0.941 -0.827 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -8.906 -0.215 -0.067 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.279 0.241 -1.189 1.00 0.00 N ATOM 0 H HIS A 71 -3.879 0.370 0.498 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.295 2.960 0.111 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.797 0.829 2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.632 2.363 2.038 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.450 0.018 1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.518 1.428 -1.497 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.804 -0.814 -0.041 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.788 4.125 1.610 1.00 0.00 N ATOM 1118 CA LEU A 72 -2.878 4.867 2.466 1.00 0.00 C ATOM 1119 C LEU A 72 -3.687 5.714 3.451 1.00 0.00 C ATOM 1120 O LEU A 72 -4.474 6.566 3.041 1.00 0.00 O ATOM 1121 CB LEU A 72 -1.891 5.679 1.624 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.410 5.486 1.956 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.432 6.630 1.388 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.203 5.316 3.462 1.00 0.00 C ATOM 0 H LEU A 72 -4.294 4.693 0.931 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.269 4.183 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.044 5.425 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.133 6.736 1.735 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.070 4.567 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.481 6.469 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.318 6.662 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.098 7.575 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.858 5.181 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.564 6.204 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.755 4.443 3.809 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.467 5.450 4.730 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.166 6.177 5.776 1.00 0.00 C ATOM 1138 C ASN A 73 -5.660 5.858 5.701 1.00 0.00 C ATOM 1139 O ASN A 73 -6.497 6.733 5.921 1.00 0.00 O ATOM 1140 CB ASN A 73 -3.995 7.688 5.605 1.00 0.00 C ATOM 1141 CG ASN A 73 -2.934 8.231 6.564 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.203 8.558 7.709 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -1.716 8.310 6.036 1.00 0.00 N ATOM 0 H ASN A 73 -2.814 4.742 5.066 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.748 5.873 6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.710 7.911 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.946 8.188 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.939 8.661 6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.559 8.020 5.071 1.00 0.00 H new ATOM 1150 N GLY A 74 -5.951 4.604 5.390 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.330 4.159 5.283 1.00 0.00 C ATOM 1152 C GLY A 74 -8.056 4.892 4.153 1.00 0.00 C ATOM 1153 O GLY A 74 -9.238 5.212 4.274 1.00 0.00 O ATOM 0 H GLY A 74 -5.255 3.881 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.356 3.085 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.847 4.335 6.226 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.319 5.137 3.080 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.878 5.826 1.929 1.00 0.00 C ATOM 1159 C GLN A 75 -7.212 5.335 0.642 1.00 0.00 C ATOM 1160 O GLN A 75 -5.997 5.449 0.484 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.737 7.342 2.076 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.109 8.015 2.153 1.00 0.00 C ATOM 1163 CD GLN A 75 -8.971 9.539 2.171 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.100 10.102 2.813 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -9.878 10.173 1.433 1.00 0.00 N ATOM 0 H GLN A 75 -6.339 4.871 2.983 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.942 5.597 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.164 7.572 2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.178 7.743 1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.716 7.711 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.631 7.683 3.050 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.580 9.641 0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.871 11.192 1.380 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.037 4.800 -0.247 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.543 4.292 -1.515 1.00 0.00 C ATOM 1176 C PHE A 76 -6.484 5.226 -2.105 1.00 0.00 C ATOM 1177 O PHE A 76 -6.808 6.303 -2.602 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.738 4.231 -2.468 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.420 4.677 -3.896 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.664 3.886 -4.704 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.892 5.866 -4.359 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.368 4.300 -6.029 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.596 6.281 -5.684 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.840 5.489 -6.491 1.00 0.00 C ATOM 0 H PHE A 76 -9.044 4.708 -0.114 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.086 3.313 -1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.117 3.209 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.537 4.858 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.289 2.942 -4.337 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.492 6.495 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.768 3.671 -6.670 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.971 7.225 -6.051 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.614 5.804 -7.499 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.239 4.778 -2.030 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.130 5.560 -2.550 1.00 0.00 C ATOM 1196 C LEU A 77 -3.988 5.300 -4.051 1.00 0.00 C ATOM 1197 O LEU A 77 -3.837 6.236 -4.835 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.855 5.277 -1.754 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.622 4.894 -2.575 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -0.958 6.133 -3.178 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.642 4.068 -1.740 1.00 0.00 C ATOM 0 H LEU A 77 -4.974 3.884 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.325 6.625 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.614 6.162 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.062 4.472 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.946 4.266 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.084 5.832 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.666 6.645 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.649 6.806 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.225 3.809 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.320 4.650 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.132 3.156 -1.400 1.00 0.00 H new ATOM 1213 N MET A 78 -4.042 4.025 -4.406 1.00 0.00 N ATOM 1214 CA MET A 78 -3.921 3.630 -5.799 1.00 0.00 C ATOM 1215 C MET A 78 -4.120 2.121 -5.961 1.00 0.00 C ATOM 1216 O MET A 78 -3.833 1.352 -5.045 1.00 0.00 O ATOM 1217 CB MET A 78 -2.538 4.021 -6.323 1.00 0.00 C ATOM 1218 CG MET A 78 -1.472 3.031 -5.849 1.00 0.00 C ATOM 1219 SD MET A 78 0.154 3.637 -6.268 1.00 0.00 S ATOM 1220 CE MET A 78 1.139 2.711 -5.102 1.00 0.00 C ATOM 0 H MET A 78 -4.168 3.252 -3.753 1.00 0.00 H new ATOM 0 HA MET A 78 -4.694 4.143 -6.370 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.553 4.051 -7.412 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.286 5.024 -5.980 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.549 2.889 -4.771 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.637 2.058 -6.311 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.196 2.832 -5.341 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.951 3.079 -4.093 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.873 1.655 -5.158 1.00 0.00 H new ATOM 1230 N MET A 79 -4.610 1.744 -7.132 1.00 0.00 N ATOM 1231 CA MET A 79 -4.851 0.341 -7.426 1.00 0.00 C ATOM 1232 C MET A 79 -4.637 0.047 -8.912 1.00 0.00 C ATOM 1233 O MET A 79 -4.620 0.963 -9.733 1.00 0.00 O ATOM 1234 CB MET A 79 -6.285 -0.023 -7.035 1.00 0.00 C ATOM 1235 CG MET A 79 -7.294 0.885 -7.741 1.00 0.00 C ATOM 1236 SD MET A 79 -8.953 0.292 -7.455 1.00 0.00 S ATOM 1237 CE MET A 79 -9.833 1.845 -7.409 1.00 0.00 C ATOM 0 H MET A 79 -4.847 2.385 -7.889 1.00 0.00 H new ATOM 0 HA MET A 79 -4.144 -0.258 -6.851 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.483 -1.063 -7.294 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.405 0.065 -5.955 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.196 1.907 -7.374 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.087 0.910 -8.811 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.906 1.655 -7.380 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.539 2.403 -6.520 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.592 2.426 -8.299 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.479 -1.234 -9.212 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.267 -1.660 -10.585 1.00 0.00 C ATOM 1249 C HIS A 80 -2.773 -1.607 -10.913 1.00 0.00 C ATOM 1250 O HIS A 80 -2.382 -1.763 -12.069 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.116 -0.829 -11.549 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.549 -0.652 -11.110 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.491 0.014 -11.874 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.192 -1.062 -9.978 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.645 0.000 -11.222 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.457 -0.667 -10.047 1.00 0.00 N ATOM 0 H HIS A 80 -4.494 -1.990 -8.528 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.594 -2.693 -10.704 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.659 0.154 -11.665 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.103 -1.304 -12.530 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.747 -1.614 -9.164 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.571 0.439 -11.561 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.171 -0.835 -9.338 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.980 -1.387 -9.876 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.538 -1.312 -10.039 1.00 0.00 C ATOM 1266 C ARG A 81 0.099 -0.625 -8.829 1.00 0.00 C ATOM 1267 O ARG A 81 -0.555 -0.432 -7.806 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.167 -0.541 -11.308 1.00 0.00 C ATOM 1269 CG ARG A 81 0.442 -1.472 -12.358 1.00 0.00 C ATOM 1270 CD ARG A 81 -0.017 -1.086 -13.765 1.00 0.00 C ATOM 1271 NE ARG A 81 0.998 -1.499 -14.760 1.00 0.00 N ATOM 1272 CZ ARG A 81 1.166 -2.760 -15.183 1.00 0.00 C ATOM 1273 NH1 ARG A 81 0.387 -3.738 -14.702 1.00 0.00 N ATOM 1274 NH2 ARG A 81 2.113 -3.042 -16.088 1.00 0.00 N ATOM 0 H ARG A 81 -2.308 -1.258 -8.919 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.161 -2.331 -10.122 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.055 -0.058 -11.717 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.542 0.250 -11.063 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.530 -1.428 -12.301 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.154 -2.502 -12.147 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.972 -1.562 -13.988 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.177 -0.009 -13.822 1.00 0.00 H new ATOM 0 HE ARG A 81 1.608 -0.779 -15.148 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.334 -3.523 -14.014 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.515 -4.697 -15.024 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.706 -2.297 -16.455 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.241 -4.001 -16.410 1.00 0.00 H new ATOM 1288 N VAL A 82 1.367 -0.276 -8.986 1.00 0.00 N ATOM 1289 CA VAL A 82 2.099 0.384 -7.919 1.00 0.00 C ATOM 1290 C VAL A 82 2.861 1.581 -8.493 1.00 0.00 C ATOM 1291 O VAL A 82 4.055 1.485 -8.773 1.00 0.00 O ATOM 1292 CB VAL A 82 3.011 -0.620 -7.210 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.702 0.022 -6.006 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.231 -1.869 -6.794 1.00 0.00 C ATOM 0 H VAL A 82 1.906 -0.438 -9.836 1.00 0.00 H new ATOM 0 HA VAL A 82 1.411 0.767 -7.165 1.00 0.00 H new ATOM 0 HB VAL A 82 3.784 -0.927 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.344 -0.713 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.305 0.866 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.950 0.371 -5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.902 -2.567 -6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.427 -1.586 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.808 -2.345 -7.679 1.00 0.00 H new ATOM 1304 N ASN A 83 2.138 2.680 -8.652 1.00 0.00 N ATOM 1305 CA ASN A 83 2.731 3.894 -9.188 1.00 0.00 C ATOM 1306 C ASN A 83 3.524 4.598 -8.086 1.00 0.00 C ATOM 1307 O ASN A 83 3.033 5.543 -7.470 1.00 0.00 O ATOM 1308 CB ASN A 83 1.653 4.859 -9.686 1.00 0.00 C ATOM 1309 CG ASN A 83 1.476 4.749 -11.202 1.00 0.00 C ATOM 1310 OD1 ASN A 83 1.172 3.698 -11.742 1.00 0.00 O ATOM 1311 ND2 ASN A 83 1.682 5.889 -11.855 1.00 0.00 N ATOM 0 H ASN A 83 1.148 2.755 -8.419 1.00 0.00 H new ATOM 0 HA ASN A 83 3.378 3.615 -10.020 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.708 4.641 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.924 5.881 -9.421 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.588 5.919 -12.870 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.934 6.733 -11.341 1.00 0.00 H new ATOM 1318 N THR A 84 4.738 4.112 -7.872 1.00 0.00 N ATOM 1319 CA THR A 84 5.604 4.683 -6.855 1.00 0.00 C ATOM 1320 C THR A 84 5.425 6.201 -6.793 1.00 0.00 C ATOM 1321 O THR A 84 5.119 6.751 -5.736 1.00 0.00 O ATOM 1322 CB THR A 84 7.040 4.253 -7.161 1.00 0.00 C ATOM 1323 OG1 THR A 84 7.110 4.264 -8.584 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.307 2.794 -6.786 1.00 0.00 C ATOM 0 H THR A 84 5.142 3.329 -8.386 1.00 0.00 H new ATOM 0 HA THR A 84 5.344 4.316 -5.862 1.00 0.00 H new ATOM 0 HB THR A 84 7.734 4.899 -6.623 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.009 3.999 -8.869 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.340 2.540 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.136 2.656 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.636 2.145 -7.348 1.00 0.00 H new ATOM 1332 N SER A 85 5.623 6.836 -7.939 1.00 0.00 N ATOM 1333 CA SER A 85 5.487 8.279 -8.029 1.00 0.00 C ATOM 1334 C SER A 85 4.302 8.747 -7.181 1.00 0.00 C ATOM 1335 O SER A 85 4.407 9.730 -6.450 1.00 0.00 O ATOM 1336 CB SER A 85 5.309 8.727 -9.481 1.00 0.00 C ATOM 1337 OG SER A 85 6.490 9.332 -10.001 1.00 0.00 O ATOM 0 H SER A 85 5.877 6.377 -8.814 1.00 0.00 H new ATOM 0 HA SER A 85 6.402 8.732 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.041 7.867 -10.095 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.482 9.434 -9.544 1.00 0.00 H new ATOM 0 HG SER A 85 6.337 9.603 -10.930 1.00 0.00 H new ATOM 1343 N LYS A 86 3.201 8.020 -7.307 1.00 0.00 N ATOM 1344 CA LYS A 86 1.998 8.348 -6.561 1.00 0.00 C ATOM 1345 C LYS A 86 2.242 8.097 -5.072 1.00 0.00 C ATOM 1346 O LYS A 86 2.183 9.023 -4.265 1.00 0.00 O ATOM 1347 CB LYS A 86 0.795 7.588 -7.125 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.438 8.491 -7.197 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.275 8.178 -8.439 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.400 7.195 -8.108 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.716 7.784 -8.443 1.00 0.00 N ATOM 0 H LYS A 86 3.117 7.205 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 86 1.758 9.406 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.032 7.210 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.580 6.722 -6.498 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.045 8.356 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.127 9.536 -7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.698 9.100 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.636 7.757 -9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.257 6.268 -8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.368 6.939 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.469 7.105 -8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.856 8.656 -7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.749 8.006 -9.459 1.00 0.00 H new ATOM 1365 N LEU A 87 2.510 6.839 -4.753 1.00 0.00 N ATOM 1366 CA LEU A 87 2.763 6.454 -3.375 1.00 0.00 C ATOM 1367 C LEU A 87 3.600 7.538 -2.693 1.00 0.00 C ATOM 1368 O LEU A 87 3.125 8.211 -1.779 1.00 0.00 O ATOM 1369 CB LEU A 87 3.394 5.062 -3.314 1.00 0.00 C ATOM 1370 CG LEU A 87 4.216 4.752 -2.062 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.340 4.785 -0.808 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.957 3.421 -2.209 1.00 0.00 C ATOM 0 H LEU A 87 2.557 6.073 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 87 1.826 6.378 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.599 4.321 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.036 4.937 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 87 4.971 5.530 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.949 4.561 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.898 5.775 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.548 4.042 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.534 3.224 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.236 2.618 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.630 3.472 -3.065 1.00 0.00 H new ATOM 1384 N GLU A 88 4.831 7.674 -3.163 1.00 0.00 N ATOM 1385 CA GLU A 88 5.739 8.665 -2.609 1.00 0.00 C ATOM 1386 C GLU A 88 5.009 9.993 -2.397 1.00 0.00 C ATOM 1387 O GLU A 88 5.005 10.533 -1.292 1.00 0.00 O ATOM 1388 CB GLU A 88 6.963 8.850 -3.508 1.00 0.00 C ATOM 1389 CG GLU A 88 7.504 7.499 -3.983 1.00 0.00 C ATOM 1390 CD GLU A 88 9.033 7.503 -4.019 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.626 7.770 -2.951 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.575 7.240 -5.114 1.00 0.00 O ATOM 0 H GLU A 88 5.221 7.115 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 88 6.091 8.307 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.697 9.462 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.741 9.386 -2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.154 6.709 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.114 7.276 -4.976 1.00 0.00 H new ATOM 1399 N LYS A 89 4.409 10.480 -3.473 1.00 0.00 N ATOM 1400 CA LYS A 89 3.678 11.735 -3.418 1.00 0.00 C ATOM 1401 C LYS A 89 2.823 11.767 -2.149 1.00 0.00 C ATOM 1402 O LYS A 89 2.909 12.708 -1.362 1.00 0.00 O ATOM 1403 CB LYS A 89 2.877 11.945 -4.704 1.00 0.00 C ATOM 1404 CG LYS A 89 2.691 13.435 -4.998 1.00 0.00 C ATOM 1405 CD LYS A 89 1.459 13.987 -4.277 1.00 0.00 C ATOM 1406 CE LYS A 89 0.319 14.249 -5.263 1.00 0.00 C ATOM 1407 NZ LYS A 89 0.309 15.670 -5.677 1.00 0.00 N ATOM 0 H LYS A 89 4.414 10.029 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 89 4.369 12.576 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.391 11.468 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.903 11.465 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.578 13.985 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.587 13.587 -6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.131 13.279 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.719 14.912 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.433 13.610 -6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.635 13.991 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.471 15.831 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.178 16.274 -4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.213 15.904 -6.135 1.00 0.00 H new ATOM 1421 N GLN A 90 2.018 10.727 -1.990 1.00 0.00 N ATOM 1422 CA GLN A 90 1.149 10.624 -0.830 1.00 0.00 C ATOM 1423 C GLN A 90 1.971 10.701 0.458 1.00 0.00 C ATOM 1424 O GLN A 90 1.695 11.528 1.326 1.00 0.00 O ATOM 1425 CB GLN A 90 0.322 9.338 -0.877 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.871 9.487 -1.823 1.00 0.00 C ATOM 1427 CD GLN A 90 -0.407 9.603 -3.276 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -0.158 8.620 -3.956 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.306 10.855 -3.714 1.00 0.00 N ATOM 0 H GLN A 90 1.949 9.948 -2.645 1.00 0.00 H new ATOM 0 HA GLN A 90 0.455 11.464 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.950 8.510 -1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.032 9.092 0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.534 8.628 -1.717 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.448 10.371 -1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.530 11.632 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.005 11.038 -4.671 1.00 0.00 H new ATOM 1438 N LEU A 91 2.964 9.828 0.542 1.00 0.00 N ATOM 1439 CA LEU A 91 3.828 9.787 1.709 1.00 0.00 C ATOM 1440 C LEU A 91 4.168 11.216 2.137 1.00 0.00 C ATOM 1441 O LEU A 91 3.876 11.616 3.263 1.00 0.00 O ATOM 1442 CB LEU A 91 5.057 8.918 1.436 1.00 0.00 C ATOM 1443 CG LEU A 91 4.798 7.417 1.290 1.00 0.00 C ATOM 1444 CD1 LEU A 91 6.071 6.679 0.869 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.197 6.837 2.572 1.00 0.00 C ATOM 0 H LEU A 91 3.189 9.143 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 91 3.314 9.317 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.534 9.275 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.770 9.066 2.247 1.00 0.00 H new ATOM 0 HG LEU A 91 4.065 7.273 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.859 5.614 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.418 7.068 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.844 6.828 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.023 5.769 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.888 6.993 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.252 7.335 2.789 1.00 0.00 H new