USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -60:sc= 0.841 USER MOD Single : A 18 MET CE :methyl -121:sc=-0.00146 (180deg=-0.0144) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 23 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= -0.0215 X(o=-0.021,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 26:sc= -3.79 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.852 K(o=-0.85,f=0.19) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 75:sc= 1.52 USER MOD Single : A 59 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.3) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.19 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.196 7.655 -3.885 1.00 0.00 N ATOM 131 CA LYS A 10 55.067 6.178 -4.075 1.00 0.00 C ATOM 132 C LYS A 10 56.348 5.471 -3.619 1.00 0.00 C ATOM 133 O LYS A 10 57.280 6.100 -3.154 1.00 0.00 O ATOM 134 CB LYS A 10 54.845 5.987 -5.575 1.00 0.00 C ATOM 135 CG LYS A 10 53.424 6.423 -5.941 1.00 0.00 C ATOM 136 CD LYS A 10 53.438 7.881 -6.404 1.00 0.00 C ATOM 137 CE LYS A 10 53.709 7.936 -7.909 1.00 0.00 C ATOM 138 NZ LYS A 10 53.588 9.377 -8.269 1.00 0.00 N ATOM 0 HA LYS A 10 54.250 5.756 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.572 6.571 -6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.997 4.942 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 10 53.029 5.784 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.765 6.311 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 10 52.483 8.355 -6.178 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.205 8.437 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.701 7.552 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 10 52.992 7.329 -8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.761 9.496 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 52.631 9.713 -8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 54.287 9.929 -7.732 1.00 0.00 H new ATOM 152 N VAL A 11 56.396 4.170 -3.752 1.00 0.00 N ATOM 153 CA VAL A 11 57.610 3.399 -3.330 1.00 0.00 C ATOM 154 C VAL A 11 57.682 2.083 -4.098 1.00 0.00 C ATOM 155 O VAL A 11 56.695 1.616 -4.634 1.00 0.00 O ATOM 156 CB VAL A 11 57.449 3.117 -1.829 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.618 4.416 -1.041 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.069 2.509 -1.551 1.00 0.00 C ATOM 0 H VAL A 11 55.641 3.602 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 11 58.523 3.959 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 11 58.213 2.406 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.503 4.213 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.610 4.828 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.862 5.134 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.966 2.313 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.294 3.206 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.965 1.575 -2.103 1.00 0.00 H new ATOM 168 N VAL A 12 58.839 1.481 -4.146 1.00 0.00 N ATOM 169 CA VAL A 12 58.991 0.192 -4.875 1.00 0.00 C ATOM 170 C VAL A 12 58.979 -0.966 -3.853 1.00 0.00 C ATOM 171 O VAL A 12 58.974 -0.742 -2.657 1.00 0.00 O ATOM 172 CB VAL A 12 60.353 0.349 -5.605 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.218 -0.919 -5.542 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.100 0.688 -7.071 1.00 0.00 C ATOM 0 H VAL A 12 59.691 1.830 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 12 58.194 -0.034 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 12 60.896 1.146 -5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.156 -0.746 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.427 -1.165 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.685 -1.747 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.053 0.799 -7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.526 -0.114 -7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.540 1.621 -7.137 1.00 0.00 H new ATOM 184 N ALA A 13 58.998 -2.191 -4.318 1.00 0.00 N ATOM 185 CA ALA A 13 59.014 -3.356 -3.379 1.00 0.00 C ATOM 186 C ALA A 13 60.396 -4.017 -3.386 1.00 0.00 C ATOM 187 O ALA A 13 61.047 -4.104 -4.410 1.00 0.00 O ATOM 188 CB ALA A 13 57.966 -4.329 -3.915 1.00 0.00 C ATOM 0 H ALA A 13 59.003 -2.435 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 13 58.800 -3.054 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.924 -5.209 -3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.991 -3.843 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 13 58.234 -4.631 -4.927 1.00 0.00 H new ATOM 194 N LEU A 14 60.839 -4.489 -2.250 1.00 0.00 N ATOM 195 CA LEU A 14 62.174 -5.157 -2.175 1.00 0.00 C ATOM 196 C LEU A 14 61.994 -6.644 -1.857 1.00 0.00 C ATOM 197 O LEU A 14 62.788 -7.475 -2.257 1.00 0.00 O ATOM 198 CB LEU A 14 62.918 -4.452 -1.040 1.00 0.00 C ATOM 199 CG LEU A 14 63.070 -2.966 -1.369 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.398 -2.189 -0.092 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.203 -2.782 -2.381 1.00 0.00 C ATOM 0 H LEU A 14 60.332 -4.441 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 14 62.722 -5.091 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.373 -4.573 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.899 -4.905 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 14 62.138 -2.592 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.506 -1.130 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.592 -2.319 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.330 -2.563 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.312 -1.723 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.134 -3.157 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.971 -3.334 -3.292 1.00 0.00 H new ATOM 213 N TYR A 15 60.950 -6.981 -1.144 1.00 0.00 N ATOM 214 CA TYR A 15 60.695 -8.409 -0.797 1.00 0.00 C ATOM 215 C TYR A 15 59.204 -8.720 -0.945 1.00 0.00 C ATOM 216 O TYR A 15 58.444 -7.923 -1.464 1.00 0.00 O ATOM 217 CB TYR A 15 61.138 -8.555 0.658 1.00 0.00 C ATOM 218 CG TYR A 15 62.595 -8.946 0.705 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.035 -10.092 0.032 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.507 -8.162 1.421 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.386 -10.454 0.075 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.859 -8.524 1.464 1.00 0.00 C ATOM 223 CZ TYR A 15 65.298 -9.670 0.791 1.00 0.00 C ATOM 224 OH TYR A 15 66.631 -10.027 0.834 1.00 0.00 O ATOM 0 H TYR A 15 60.259 -6.322 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 15 61.232 -9.098 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.985 -7.617 1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.532 -9.309 1.160 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.331 -10.697 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 15 63.168 -7.278 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 15 64.725 -11.338 -0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.563 -7.919 2.016 1.00 0.00 H new ATOM 0 HH TYR A 15 67.127 -9.375 1.372 1.00 0.00 H new ATOM 234 N ASP A 16 58.782 -9.876 -0.503 1.00 0.00 N ATOM 235 CA ASP A 16 57.340 -10.251 -0.626 1.00 0.00 C ATOM 236 C ASP A 16 56.605 -10.059 0.704 1.00 0.00 C ATOM 237 O ASP A 16 57.182 -10.171 1.769 1.00 0.00 O ATOM 238 CB ASP A 16 57.352 -11.728 -1.022 1.00 0.00 C ATOM 239 CG ASP A 16 57.568 -11.851 -2.531 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.466 -11.198 -3.036 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.831 -12.596 -3.157 1.00 0.00 O ATOM 0 H ASP A 16 59.375 -10.579 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 16 56.821 -9.629 -1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 16 58.144 -12.252 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.410 -12.199 -0.739 1.00 0.00 H new ATOM 246 N TYR A 17 55.327 -9.777 0.641 1.00 0.00 N ATOM 247 CA TYR A 17 54.525 -9.579 1.884 1.00 0.00 C ATOM 248 C TYR A 17 53.038 -9.720 1.547 1.00 0.00 C ATOM 249 O TYR A 17 52.275 -8.777 1.644 1.00 0.00 O ATOM 250 CB TYR A 17 54.856 -8.156 2.348 1.00 0.00 C ATOM 251 CG TYR A 17 54.062 -7.815 3.588 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.386 -8.407 4.815 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.002 -6.903 3.510 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.651 -8.087 5.963 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.267 -6.583 4.657 1.00 0.00 C ATOM 256 CZ TYR A 17 52.591 -7.175 5.884 1.00 0.00 C ATOM 257 OH TYR A 17 51.867 -6.858 7.015 1.00 0.00 O ATOM 0 H TYR A 17 54.802 -9.675 -0.228 1.00 0.00 H new ATOM 0 HA TYR A 17 54.751 -10.308 2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.923 -8.072 2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.629 -7.444 1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.203 -9.111 4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 17 52.752 -6.446 2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.901 -8.543 6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 17 51.450 -5.879 4.596 1.00 0.00 H new ATOM 0 HH TYR A 17 51.453 -7.669 7.376 1.00 0.00 H new ATOM 267 N MET A 18 52.630 -10.895 1.138 1.00 0.00 N ATOM 268 CA MET A 18 51.196 -11.114 0.772 1.00 0.00 C ATOM 269 C MET A 18 50.278 -10.819 1.973 1.00 0.00 C ATOM 270 O MET A 18 50.733 -10.816 3.100 1.00 0.00 O ATOM 271 CB MET A 18 51.099 -12.590 0.363 1.00 0.00 C ATOM 272 CG MET A 18 51.524 -13.488 1.530 1.00 0.00 C ATOM 273 SD MET A 18 52.240 -15.020 0.882 1.00 0.00 S ATOM 274 CE MET A 18 50.688 -15.802 0.380 1.00 0.00 C ATOM 0 H MET A 18 53.229 -11.715 1.041 1.00 0.00 H new ATOM 0 HA MET A 18 50.878 -10.451 -0.033 1.00 0.00 H new ATOM 0 HB2 MET A 18 50.078 -12.827 0.065 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.735 -12.779 -0.502 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.251 -12.970 2.155 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.664 -13.714 2.161 1.00 0.00 H new ATOM 0 HE1 MET A 18 50.573 -16.751 0.903 1.00 0.00 H new ATOM 0 HE2 MET A 18 49.853 -15.147 0.629 1.00 0.00 H new ATOM 0 HE3 MET A 18 50.701 -15.979 -0.695 1.00 0.00 H new ATOM 284 N PRO A 19 49.005 -10.572 1.704 1.00 0.00 N ATOM 285 CA PRO A 19 48.049 -10.269 2.796 1.00 0.00 C ATOM 286 C PRO A 19 47.807 -11.508 3.663 1.00 0.00 C ATOM 287 O PRO A 19 47.829 -12.627 3.183 1.00 0.00 O ATOM 288 CB PRO A 19 46.778 -9.875 2.031 1.00 0.00 C ATOM 289 CG PRO A 19 47.059 -9.977 0.520 1.00 0.00 C ATOM 290 CD PRO A 19 48.451 -10.573 0.321 1.00 0.00 C ATOM 0 HA PRO A 19 48.398 -9.495 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.952 -10.531 2.307 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.479 -8.860 2.292 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.308 -10.602 0.037 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.000 -8.992 0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.406 -11.579 -0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.056 -9.973 -0.359 1.00 0.00 H new ATOM 298 N MET A 20 47.566 -11.312 4.934 1.00 0.00 N ATOM 299 CA MET A 20 47.308 -12.468 5.843 1.00 0.00 C ATOM 300 C MET A 20 45.803 -12.607 6.075 1.00 0.00 C ATOM 301 O MET A 20 45.243 -13.680 5.968 1.00 0.00 O ATOM 302 CB MET A 20 48.018 -12.116 7.151 1.00 0.00 C ATOM 303 CG MET A 20 49.518 -11.951 6.898 1.00 0.00 C ATOM 304 SD MET A 20 50.351 -13.542 7.120 1.00 0.00 S ATOM 305 CE MET A 20 51.969 -13.044 6.482 1.00 0.00 C ATOM 0 H MET A 20 47.537 -10.397 5.383 1.00 0.00 H new ATOM 0 HA MET A 20 47.667 -13.412 5.432 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.606 -11.195 7.563 1.00 0.00 H new ATOM 0 HB3 MET A 20 47.848 -12.899 7.890 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.688 -11.578 5.888 1.00 0.00 H new ATOM 0 HG3 MET A 20 49.934 -11.213 7.584 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.654 -13.891 6.527 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.867 -12.714 5.448 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.362 -12.226 7.086 1.00 0.00 H new ATOM 315 N ASN A 21 45.152 -11.517 6.386 1.00 0.00 N ATOM 316 CA ASN A 21 43.679 -11.556 6.625 1.00 0.00 C ATOM 317 C ASN A 21 42.975 -10.536 5.730 1.00 0.00 C ATOM 318 O ASN A 21 42.080 -10.869 4.976 1.00 0.00 O ATOM 319 CB ASN A 21 43.506 -11.189 8.100 1.00 0.00 C ATOM 320 CG ASN A 21 44.070 -12.309 8.976 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.729 -13.462 8.800 1.00 0.00 O ATOM 322 ND2 ASN A 21 44.925 -12.016 9.917 1.00 0.00 N ATOM 0 H ASN A 21 45.580 -10.596 6.485 1.00 0.00 H new ATOM 0 HA ASN A 21 43.248 -12.531 6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.019 -10.252 8.315 1.00 0.00 H new ATOM 0 HB3 ASN A 21 42.451 -11.033 8.325 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.308 -12.755 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 21 45.210 -11.048 10.063 1.00 0.00 H new ATOM 329 N ALA A 22 43.380 -9.296 5.809 1.00 0.00 N ATOM 330 CA ALA A 22 42.748 -8.234 4.966 1.00 0.00 C ATOM 331 C ALA A 22 43.542 -6.929 5.069 1.00 0.00 C ATOM 332 O ALA A 22 43.729 -6.226 4.093 1.00 0.00 O ATOM 333 CB ALA A 22 41.341 -8.047 5.539 1.00 0.00 C ATOM 0 H ALA A 22 44.125 -8.970 6.424 1.00 0.00 H new ATOM 0 HA ALA A 22 42.725 -8.511 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.815 -7.281 4.970 1.00 0.00 H new ATOM 0 HB2 ALA A 22 40.794 -8.987 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.411 -7.740 6.582 1.00 0.00 H new ATOM 339 N ASN A 23 44.004 -6.603 6.245 1.00 0.00 N ATOM 340 CA ASN A 23 44.788 -5.341 6.431 1.00 0.00 C ATOM 341 C ASN A 23 46.038 -5.332 5.567 1.00 0.00 C ATOM 342 O ASN A 23 46.242 -4.452 4.754 1.00 0.00 O ATOM 343 CB ASN A 23 45.217 -5.336 7.892 1.00 0.00 C ATOM 344 CG ASN A 23 44.183 -4.585 8.734 1.00 0.00 C ATOM 345 OD1 ASN A 23 43.745 -3.513 8.366 1.00 0.00 O ATOM 346 ND2 ASN A 23 43.774 -5.107 9.858 1.00 0.00 N ATOM 0 H ASN A 23 43.873 -7.157 7.091 1.00 0.00 H new ATOM 0 HA ASN A 23 44.185 -4.476 6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.320 -6.359 8.254 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.194 -4.863 7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.086 -4.615 10.428 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.142 -6.007 10.166 1.00 0.00 H new ATOM 353 N ASP A 24 46.898 -6.285 5.787 1.00 0.00 N ATOM 354 CA ASP A 24 48.190 -6.344 5.042 1.00 0.00 C ATOM 355 C ASP A 24 48.000 -6.131 3.532 1.00 0.00 C ATOM 356 O ASP A 24 47.127 -6.714 2.918 1.00 0.00 O ATOM 357 CB ASP A 24 48.746 -7.741 5.318 1.00 0.00 C ATOM 358 CG ASP A 24 49.137 -7.860 6.794 1.00 0.00 C ATOM 359 OD1 ASP A 24 48.489 -7.229 7.613 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.076 -8.585 7.080 1.00 0.00 O ATOM 0 H ASP A 24 46.760 -7.038 6.461 1.00 0.00 H new ATOM 0 HA ASP A 24 48.864 -5.552 5.368 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.000 -8.495 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.614 -7.929 4.686 1.00 0.00 H new ATOM 365 N LEU A 25 48.824 -5.302 2.937 1.00 0.00 N ATOM 366 CA LEU A 25 48.712 -5.048 1.473 1.00 0.00 C ATOM 367 C LEU A 25 49.457 -6.147 0.710 1.00 0.00 C ATOM 368 O LEU A 25 50.346 -6.785 1.245 1.00 0.00 O ATOM 369 CB LEU A 25 49.361 -3.677 1.252 1.00 0.00 C ATOM 370 CG LEU A 25 49.119 -3.222 -0.193 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.717 -2.618 -0.315 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.156 -2.165 -0.584 1.00 0.00 C ATOM 0 H LEU A 25 49.571 -4.790 3.407 1.00 0.00 H new ATOM 0 HA LEU A 25 47.682 -5.055 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.944 -2.949 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.431 -3.733 1.452 1.00 0.00 H new ATOM 0 HG LEU A 25 49.207 -4.083 -0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.548 -2.296 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.973 -3.367 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.631 -1.761 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.980 -1.845 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 25 50.070 -1.307 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.157 -2.589 -0.503 1.00 0.00 H new ATOM 384 N GLN A 26 49.087 -6.392 -0.520 1.00 0.00 N ATOM 385 CA GLN A 26 49.757 -7.474 -1.305 1.00 0.00 C ATOM 386 C GLN A 26 50.987 -6.952 -2.047 1.00 0.00 C ATOM 387 O GLN A 26 50.884 -6.331 -3.088 1.00 0.00 O ATOM 388 CB GLN A 26 48.698 -7.956 -2.296 1.00 0.00 C ATOM 389 CG GLN A 26 49.203 -9.209 -3.014 1.00 0.00 C ATOM 390 CD GLN A 26 48.533 -9.317 -4.385 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.720 -10.193 -4.609 1.00 0.00 O ATOM 392 NE2 GLN A 26 48.840 -8.459 -5.318 1.00 0.00 N ATOM 0 H GLN A 26 48.350 -5.890 -1.016 1.00 0.00 H new ATOM 0 HA GLN A 26 50.115 -8.273 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.767 -8.174 -1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.479 -7.172 -3.021 1.00 0.00 H new ATOM 0 HG2 GLN A 26 50.286 -9.163 -3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.983 -10.095 -2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 26 49.522 -7.724 -5.131 1.00 0.00 H new ATOM 0 HE22 GLN A 26 48.398 -8.523 -6.235 1.00 0.00 H new ATOM 401 N LEU A 27 52.151 -7.233 -1.525 1.00 0.00 N ATOM 402 CA LEU A 27 53.409 -6.798 -2.191 1.00 0.00 C ATOM 403 C LEU A 27 54.134 -8.040 -2.721 1.00 0.00 C ATOM 404 O LEU A 27 53.703 -9.154 -2.481 1.00 0.00 O ATOM 405 CB LEU A 27 54.220 -6.102 -1.096 1.00 0.00 C ATOM 406 CG LEU A 27 53.493 -4.830 -0.658 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.472 -5.164 0.440 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.515 -3.821 -0.127 1.00 0.00 C ATOM 0 H LEU A 27 52.283 -7.751 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 27 53.246 -6.129 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.352 -6.770 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.216 -5.856 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 27 52.967 -4.401 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 27 51.958 -4.254 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.745 -5.879 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.988 -5.596 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.000 -2.913 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.043 -4.251 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.231 -3.580 -0.913 1.00 0.00 H new ATOM 420 N ARG A 28 55.218 -7.872 -3.440 1.00 0.00 N ATOM 421 CA ARG A 28 55.943 -9.072 -3.981 1.00 0.00 C ATOM 422 C ARG A 28 57.301 -8.695 -4.574 1.00 0.00 C ATOM 423 O ARG A 28 57.766 -9.317 -5.506 1.00 0.00 O ATOM 424 CB ARG A 28 55.028 -9.641 -5.068 1.00 0.00 C ATOM 425 CG ARG A 28 55.397 -11.103 -5.334 1.00 0.00 C ATOM 426 CD ARG A 28 54.502 -12.018 -4.494 1.00 0.00 C ATOM 427 NE ARG A 28 54.961 -13.400 -4.805 1.00 0.00 N ATOM 428 CZ ARG A 28 54.682 -14.379 -3.988 1.00 0.00 C ATOM 429 NH1 ARG A 28 54.868 -14.232 -2.705 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.217 -15.506 -4.455 1.00 0.00 N ATOM 0 H ARG A 28 55.630 -6.969 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 28 56.149 -9.793 -3.190 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.986 -9.569 -4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.127 -9.058 -5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.277 -11.332 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 28 56.445 -11.275 -5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 28 54.602 -11.799 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.451 -11.885 -4.750 1.00 0.00 H new ATOM 0 HE ARG A 28 55.493 -13.582 -5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 28 55.232 -13.352 -2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 28 54.650 -14.997 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 28 54.072 -15.621 -5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 28 53.999 -16.271 -3.817 1.00 0.00 H new ATOM 444 N LYS A 29 57.943 -7.706 -4.017 1.00 0.00 N ATOM 445 CA LYS A 29 59.299 -7.271 -4.508 1.00 0.00 C ATOM 446 C LYS A 29 59.276 -6.887 -5.996 1.00 0.00 C ATOM 447 O LYS A 29 58.860 -7.646 -6.849 1.00 0.00 O ATOM 448 CB LYS A 29 60.232 -8.468 -4.266 1.00 0.00 C ATOM 449 CG LYS A 29 61.661 -8.102 -4.676 1.00 0.00 C ATOM 450 CD LYS A 29 61.859 -8.402 -6.163 1.00 0.00 C ATOM 451 CE LYS A 29 63.302 -8.850 -6.407 1.00 0.00 C ATOM 452 NZ LYS A 29 64.070 -7.587 -6.588 1.00 0.00 N ATOM 0 H LYS A 29 57.586 -7.166 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 29 59.635 -6.379 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.207 -8.753 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.889 -9.330 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.848 -7.046 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.378 -8.669 -4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.166 -9.181 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.637 -7.515 -6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.684 -9.427 -5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.374 -9.486 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.071 -7.811 -6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.688 -7.062 -7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.988 -7.005 -5.730 1.00 0.00 H new ATOM 466 N GLY A 30 59.733 -5.699 -6.303 1.00 0.00 N ATOM 467 CA GLY A 30 59.752 -5.237 -7.722 1.00 0.00 C ATOM 468 C GLY A 30 58.489 -4.425 -8.012 1.00 0.00 C ATOM 469 O GLY A 30 58.485 -3.557 -8.865 1.00 0.00 O ATOM 0 H GLY A 30 60.095 -5.027 -5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.638 -4.629 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.808 -6.094 -8.394 1.00 0.00 H new ATOM 473 N ASP A 31 57.421 -4.694 -7.303 1.00 0.00 N ATOM 474 CA ASP A 31 56.163 -3.937 -7.527 1.00 0.00 C ATOM 475 C ASP A 31 56.191 -2.651 -6.705 1.00 0.00 C ATOM 476 O ASP A 31 56.619 -2.648 -5.567 1.00 0.00 O ATOM 477 CB ASP A 31 55.045 -4.863 -7.045 1.00 0.00 C ATOM 478 CG ASP A 31 54.567 -5.736 -8.207 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.382 -6.464 -8.749 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.395 -5.661 -8.534 1.00 0.00 O ATOM 0 H ASP A 31 57.372 -5.409 -6.577 1.00 0.00 H new ATOM 0 HA ASP A 31 56.023 -3.654 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.405 -5.490 -6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.215 -4.275 -6.653 1.00 0.00 H new ATOM 485 N GLU A 32 55.745 -1.561 -7.265 1.00 0.00 N ATOM 486 CA GLU A 32 55.756 -0.278 -6.498 1.00 0.00 C ATOM 487 C GLU A 32 54.330 0.050 -6.067 1.00 0.00 C ATOM 488 O GLU A 32 53.374 -0.388 -6.681 1.00 0.00 O ATOM 489 CB GLU A 32 56.321 0.814 -7.430 1.00 0.00 C ATOM 490 CG GLU A 32 57.379 0.252 -8.396 1.00 0.00 C ATOM 491 CD GLU A 32 56.715 -0.131 -9.722 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.765 0.535 -10.102 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.167 -1.085 -10.333 1.00 0.00 O ATOM 0 H GLU A 32 55.375 -1.500 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 32 56.374 -0.347 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.507 1.260 -8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.763 1.610 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.158 0.994 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.862 -0.620 -7.955 1.00 0.00 H new ATOM 500 N TYR A 33 54.180 0.770 -4.989 1.00 0.00 N ATOM 501 CA TYR A 33 52.814 1.076 -4.478 1.00 0.00 C ATOM 502 C TYR A 33 52.622 2.579 -4.269 1.00 0.00 C ATOM 503 O TYR A 33 53.438 3.388 -4.665 1.00 0.00 O ATOM 504 CB TYR A 33 52.731 0.359 -3.121 1.00 0.00 C ATOM 505 CG TYR A 33 53.319 -1.036 -3.203 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.596 -2.070 -3.807 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.595 -1.281 -2.686 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.150 -3.351 -3.892 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.148 -2.563 -2.769 1.00 0.00 C ATOM 510 CZ TYR A 33 54.426 -3.599 -3.373 1.00 0.00 C ATOM 511 OH TYR A 33 54.975 -4.861 -3.462 1.00 0.00 O ATOM 0 H TYR A 33 54.946 1.160 -4.439 1.00 0.00 H new ATOM 0 HA TYR A 33 52.047 0.753 -5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.265 0.938 -2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.691 0.300 -2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.611 -1.879 -4.207 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.153 -0.481 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.593 -4.150 -4.359 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.132 -2.754 -2.367 1.00 0.00 H new ATOM 0 HH TYR A 33 54.585 -5.334 -4.227 1.00 0.00 H new ATOM 521 N PHE A 34 51.547 2.942 -3.619 1.00 0.00 N ATOM 522 CA PHE A 34 51.272 4.379 -3.334 1.00 0.00 C ATOM 523 C PHE A 34 51.241 4.588 -1.821 1.00 0.00 C ATOM 524 O PHE A 34 50.490 3.945 -1.114 1.00 0.00 O ATOM 525 CB PHE A 34 49.903 4.663 -3.939 1.00 0.00 C ATOM 526 CG PHE A 34 50.071 5.126 -5.367 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.222 6.489 -5.648 1.00 0.00 C ATOM 528 CD2 PHE A 34 50.079 4.192 -6.409 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.381 6.918 -6.970 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.237 4.621 -7.732 1.00 0.00 C ATOM 531 CZ PHE A 34 50.388 5.985 -8.012 1.00 0.00 C ATOM 0 H PHE A 34 50.840 2.295 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 34 52.031 5.041 -3.750 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.286 3.765 -3.907 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.387 5.426 -3.356 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.216 7.210 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.963 3.140 -6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.498 7.970 -7.186 1.00 0.00 H new ATOM 0 HE2 PHE A 34 50.242 3.901 -8.537 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.510 6.316 -9.033 1.00 0.00 H new ATOM 541 N ILE A 35 52.067 5.464 -1.325 1.00 0.00 N ATOM 542 CA ILE A 35 52.123 5.699 0.151 1.00 0.00 C ATOM 543 C ILE A 35 50.954 6.551 0.642 1.00 0.00 C ATOM 544 O ILE A 35 50.290 7.235 -0.112 1.00 0.00 O ATOM 545 CB ILE A 35 53.460 6.411 0.386 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.611 5.493 -0.046 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.622 6.771 1.871 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.584 4.193 0.767 1.00 0.00 C ATOM 0 H ILE A 35 52.710 6.032 -1.877 1.00 0.00 H new ATOM 0 HA ILE A 35 52.048 4.763 0.705 1.00 0.00 H new ATOM 0 HB ILE A 35 53.478 7.328 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.527 5.268 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.565 6.001 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.576 7.276 2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.810 7.431 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.595 5.861 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.405 3.550 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.691 4.424 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.637 3.680 0.601 1.00 0.00 H new ATOM 560 N LEU A 36 50.722 6.502 1.925 1.00 0.00 N ATOM 561 CA LEU A 36 49.621 7.287 2.539 1.00 0.00 C ATOM 562 C LEU A 36 50.194 8.183 3.638 1.00 0.00 C ATOM 563 O LEU A 36 49.849 9.344 3.753 1.00 0.00 O ATOM 564 CB LEU A 36 48.683 6.233 3.130 1.00 0.00 C ATOM 565 CG LEU A 36 47.485 6.914 3.796 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.296 6.911 2.833 1.00 0.00 C ATOM 567 CD2 LEU A 36 47.108 6.148 5.068 1.00 0.00 C ATOM 0 H LEU A 36 51.261 5.939 2.583 1.00 0.00 H new ATOM 0 HA LEU A 36 49.105 7.935 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.339 5.559 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 36 49.219 5.626 3.860 1.00 0.00 H new ATOM 0 HG LEU A 36 47.746 7.941 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 36 45.443 7.396 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 36 46.562 7.452 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.035 5.883 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.255 6.631 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 36 46.847 5.122 4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 36 47.954 6.146 5.755 1.00 0.00 H new ATOM 579 N GLU A 37 51.079 7.646 4.443 1.00 0.00 N ATOM 580 CA GLU A 37 51.700 8.455 5.542 1.00 0.00 C ATOM 581 C GLU A 37 52.824 7.659 6.214 1.00 0.00 C ATOM 582 O GLU A 37 53.221 6.612 5.738 1.00 0.00 O ATOM 583 CB GLU A 37 50.568 8.719 6.539 1.00 0.00 C ATOM 584 CG GLU A 37 50.714 10.128 7.117 1.00 0.00 C ATOM 585 CD GLU A 37 50.241 10.137 8.572 1.00 0.00 C ATOM 586 OE1 GLU A 37 49.053 9.965 8.789 1.00 0.00 O ATOM 587 OE2 GLU A 37 51.076 10.313 9.444 1.00 0.00 O ATOM 0 H GLU A 37 51.400 6.679 4.387 1.00 0.00 H new ATOM 0 HA GLU A 37 52.139 9.381 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.602 8.616 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.596 7.981 7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.754 10.449 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.129 10.836 6.529 1.00 0.00 H new ATOM 653 N PRO A 42 58.005 1.838 10.774 1.00 0.00 N ATOM 654 CA PRO A 42 58.490 0.557 10.178 1.00 0.00 C ATOM 655 C PRO A 42 57.435 -0.058 9.243 1.00 0.00 C ATOM 656 O PRO A 42 57.757 -0.788 8.329 1.00 0.00 O ATOM 657 CB PRO A 42 58.736 -0.319 11.412 1.00 0.00 C ATOM 658 CG PRO A 42 58.397 0.501 12.671 1.00 0.00 C ATOM 659 CD PRO A 42 58.146 1.955 12.253 1.00 0.00 C ATOM 0 HA PRO A 42 59.377 0.676 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.120 -1.217 11.368 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.775 -0.647 11.442 1.00 0.00 H new ATOM 0 HG2 PRO A 42 57.515 0.091 13.164 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.216 0.449 13.388 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.248 2.363 12.717 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.973 2.608 12.533 1.00 0.00 H new ATOM 667 N TRP A 43 56.184 0.257 9.461 1.00 0.00 N ATOM 668 CA TRP A 43 55.097 -0.264 8.590 1.00 0.00 C ATOM 669 C TRP A 43 54.346 0.929 7.992 1.00 0.00 C ATOM 670 O TRP A 43 54.589 2.056 8.375 1.00 0.00 O ATOM 671 CB TRP A 43 54.199 -1.055 9.534 1.00 0.00 C ATOM 672 CG TRP A 43 54.920 -2.268 10.014 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.607 -2.324 11.163 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.035 -3.586 9.398 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.144 -3.590 11.309 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.818 -4.405 10.245 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.543 -4.145 8.204 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.103 -5.732 9.921 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.829 -5.480 7.876 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.607 -6.271 8.733 1.00 0.00 C ATOM 0 H TRP A 43 55.869 0.863 10.219 1.00 0.00 H new ATOM 0 HA TRP A 43 55.450 -0.882 7.765 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.909 -0.434 10.381 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.282 -1.344 9.022 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.723 -1.510 11.863 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.711 -3.884 12.104 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.943 -3.544 7.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.703 -6.337 10.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.447 -5.900 6.957 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.822 -7.297 8.474 1.00 0.00 H new ATOM 691 N TRP A 44 53.458 0.711 7.051 1.00 0.00 N ATOM 692 CA TRP A 44 52.728 1.864 6.445 1.00 0.00 C ATOM 693 C TRP A 44 51.279 1.515 6.123 1.00 0.00 C ATOM 694 O TRP A 44 50.780 0.464 6.461 1.00 0.00 O ATOM 695 CB TRP A 44 53.467 2.139 5.135 1.00 0.00 C ATOM 696 CG TRP A 44 54.577 3.135 5.307 1.00 0.00 C ATOM 697 CD1 TRP A 44 54.773 3.977 6.359 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.647 3.404 4.369 1.00 0.00 C ATOM 699 NE1 TRP A 44 55.914 4.725 6.118 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.486 4.408 4.901 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.964 2.864 3.115 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.608 4.862 4.206 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.084 3.315 2.412 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.909 4.313 2.954 1.00 0.00 C ATOM 0 H TRP A 44 53.211 -0.207 6.681 1.00 0.00 H new ATOM 0 HA TRP A 44 52.705 2.712 7.129 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.876 1.206 4.748 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.760 2.510 4.392 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.145 4.050 7.234 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.286 5.424 6.761 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.338 2.094 2.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 58.238 5.630 4.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.317 2.893 1.445 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.774 4.657 2.406 1.00 0.00 H new ATOM 715 N ARG A 45 50.624 2.404 5.429 1.00 0.00 N ATOM 716 CA ARG A 45 49.219 2.176 5.002 1.00 0.00 C ATOM 717 C ARG A 45 49.129 2.625 3.543 1.00 0.00 C ATOM 718 O ARG A 45 48.378 3.510 3.186 1.00 0.00 O ATOM 719 CB ARG A 45 48.363 3.061 5.910 1.00 0.00 C ATOM 720 CG ARG A 45 48.241 2.412 7.289 1.00 0.00 C ATOM 721 CD ARG A 45 48.041 3.498 8.349 1.00 0.00 C ATOM 722 NE ARG A 45 46.565 3.666 8.453 1.00 0.00 N ATOM 723 CZ ARG A 45 45.946 3.332 9.553 1.00 0.00 C ATOM 724 NH1 ARG A 45 46.382 3.765 10.704 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.891 2.567 9.500 1.00 0.00 N ATOM 0 H ARG A 45 51.015 3.299 5.134 1.00 0.00 H new ATOM 0 HA ARG A 45 48.889 1.140 5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.813 4.050 6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.374 3.199 5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.401 1.717 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 45 49.138 1.833 7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 45 48.473 3.201 9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 45 48.525 4.430 8.056 1.00 0.00 H new ATOM 0 HE ARG A 45 46.038 4.042 7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 45 47.206 4.364 10.744 1.00 0.00 H new ATOM 0 HH12 ARG A 45 45.898 3.504 11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.550 2.230 8.600 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.407 2.306 10.359 1.00 0.00 H new ATOM 739 N ALA A 46 49.944 2.032 2.714 1.00 0.00 N ATOM 740 CA ALA A 46 50.004 2.407 1.271 1.00 0.00 C ATOM 741 C ALA A 46 49.103 1.491 0.441 1.00 0.00 C ATOM 742 O ALA A 46 48.743 0.411 0.871 1.00 0.00 O ATOM 743 CB ALA A 46 51.488 2.216 0.901 1.00 0.00 C ATOM 0 H ALA A 46 50.586 1.286 2.982 1.00 0.00 H new ATOM 0 HA ALA A 46 49.656 3.422 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.637 2.468 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.104 2.867 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.774 1.178 1.069 1.00 0.00 H new ATOM 749 N ARG A 47 48.733 1.917 -0.743 1.00 0.00 N ATOM 750 CA ARG A 47 47.852 1.070 -1.601 1.00 0.00 C ATOM 751 C ARG A 47 48.636 0.498 -2.775 1.00 0.00 C ATOM 752 O ARG A 47 49.660 1.020 -3.162 1.00 0.00 O ATOM 753 CB ARG A 47 46.762 2.000 -2.120 1.00 0.00 C ATOM 754 CG ARG A 47 45.873 2.458 -0.964 1.00 0.00 C ATOM 755 CD ARG A 47 45.454 3.916 -1.178 1.00 0.00 C ATOM 756 NE ARG A 47 43.991 3.945 -0.901 1.00 0.00 N ATOM 757 CZ ARG A 47 43.258 4.919 -1.368 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.313 5.229 -2.633 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.470 5.583 -0.566 1.00 0.00 N ATOM 0 H ARG A 47 49.003 2.813 -1.150 1.00 0.00 H new ATOM 0 HA ARG A 47 47.444 0.230 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.212 2.864 -2.608 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.161 1.487 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.990 1.822 -0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.409 2.359 -0.020 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.995 4.584 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.669 4.242 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 47 43.562 3.204 -0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.929 4.710 -3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.740 5.990 -2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.428 5.340 0.424 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.897 6.344 -0.929 1.00 0.00 H new ATOM 773 N ASP A 48 48.152 -0.572 -3.344 1.00 0.00 N ATOM 774 CA ASP A 48 48.856 -1.194 -4.499 1.00 0.00 C ATOM 775 C ASP A 48 48.202 -0.769 -5.822 1.00 0.00 C ATOM 776 O ASP A 48 47.520 0.236 -5.892 1.00 0.00 O ATOM 777 CB ASP A 48 48.718 -2.704 -4.271 1.00 0.00 C ATOM 778 CG ASP A 48 47.239 -3.106 -4.262 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.506 -2.576 -3.442 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.866 -3.937 -5.073 1.00 0.00 O ATOM 0 H ASP A 48 47.295 -1.044 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 48 49.900 -0.888 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.245 -3.247 -5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.183 -2.980 -3.325 1.00 0.00 H new ATOM 785 N LYS A 49 48.415 -1.528 -6.866 1.00 0.00 N ATOM 786 CA LYS A 49 47.820 -1.182 -8.192 1.00 0.00 C ATOM 787 C LYS A 49 46.305 -1.439 -8.197 1.00 0.00 C ATOM 788 O LYS A 49 45.594 -0.950 -9.055 1.00 0.00 O ATOM 789 CB LYS A 49 48.532 -2.110 -9.179 1.00 0.00 C ATOM 790 CG LYS A 49 48.062 -1.816 -10.599 1.00 0.00 C ATOM 791 CD LYS A 49 48.710 -0.523 -11.100 1.00 0.00 C ATOM 792 CE LYS A 49 47.761 0.654 -10.859 1.00 0.00 C ATOM 793 NZ LYS A 49 48.639 1.771 -10.411 1.00 0.00 N ATOM 0 H LYS A 49 48.979 -2.378 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 49 47.948 -0.129 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.611 -1.972 -9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.326 -3.150 -8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 49 48.324 -2.644 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 49 46.976 -1.722 -10.621 1.00 0.00 H new ATOM 0 HD2 LYS A 49 49.654 -0.354 -10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.939 -0.607 -12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 49 47.220 0.917 -11.768 1.00 0.00 H new ATOM 0 HE3 LYS A 49 47.015 0.411 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.060 2.615 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.136 1.494 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 49.335 1.985 -11.154 1.00 0.00 H new ATOM 807 N ASN A 50 45.804 -2.198 -7.250 1.00 0.00 N ATOM 808 CA ASN A 50 44.341 -2.482 -7.209 1.00 0.00 C ATOM 809 C ASN A 50 43.576 -1.385 -6.451 1.00 0.00 C ATOM 810 O ASN A 50 42.420 -1.557 -6.113 1.00 0.00 O ATOM 811 CB ASN A 50 44.219 -3.819 -6.476 1.00 0.00 C ATOM 812 CG ASN A 50 44.933 -4.909 -7.278 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.138 -5.043 -7.205 1.00 0.00 O ATOM 814 ND2 ASN A 50 44.234 -5.699 -8.047 1.00 0.00 N ATOM 0 H ASN A 50 46.349 -2.631 -6.505 1.00 0.00 H new ATOM 0 HA ASN A 50 43.913 -2.514 -8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.655 -3.741 -5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.169 -4.079 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 50 44.700 -6.429 -8.586 1.00 0.00 H new ATOM 0 HD22 ASN A 50 43.222 -5.587 -8.108 1.00 0.00 H new ATOM 821 N GLY A 51 44.205 -0.264 -6.180 1.00 0.00 N ATOM 822 CA GLY A 51 43.505 0.832 -5.446 1.00 0.00 C ATOM 823 C GLY A 51 43.090 0.344 -4.055 1.00 0.00 C ATOM 824 O GLY A 51 42.148 0.848 -3.471 1.00 0.00 O ATOM 0 H GLY A 51 45.172 -0.064 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.160 1.698 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.626 1.153 -6.006 1.00 0.00 H new ATOM 828 N GLN A 52 43.784 -0.631 -3.520 1.00 0.00 N ATOM 829 CA GLN A 52 43.430 -1.150 -2.165 1.00 0.00 C ATOM 830 C GLN A 52 44.542 -0.815 -1.168 1.00 0.00 C ATOM 831 O GLN A 52 45.700 -1.107 -1.399 1.00 0.00 O ATOM 832 CB GLN A 52 43.306 -2.663 -2.339 1.00 0.00 C ATOM 833 CG GLN A 52 41.876 -3.014 -2.751 1.00 0.00 C ATOM 834 CD GLN A 52 41.616 -4.498 -2.482 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.248 -5.354 -3.070 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.708 -4.842 -1.611 1.00 0.00 N ATOM 0 H GLN A 52 44.580 -1.089 -3.964 1.00 0.00 H new ATOM 0 HA GLN A 52 42.511 -0.709 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.009 -3.012 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.562 -3.169 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.166 -2.403 -2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.726 -2.794 -3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.177 -4.124 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.529 -5.829 -1.424 1.00 0.00 H new ATOM 845 N GLU A 53 44.195 -0.204 -0.066 1.00 0.00 N ATOM 846 CA GLU A 53 45.227 0.158 0.954 1.00 0.00 C ATOM 847 C GLU A 53 45.503 -1.030 1.876 1.00 0.00 C ATOM 848 O GLU A 53 44.654 -1.878 2.078 1.00 0.00 O ATOM 849 CB GLU A 53 44.631 1.333 1.740 1.00 0.00 C ATOM 850 CG GLU A 53 43.310 0.913 2.405 1.00 0.00 C ATOM 851 CD GLU A 53 42.132 1.576 1.685 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.216 2.765 1.424 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.168 0.883 1.407 1.00 0.00 O ATOM 0 H GLU A 53 43.240 0.061 0.174 1.00 0.00 H new ATOM 0 HA GLU A 53 46.179 0.426 0.495 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.338 1.668 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.458 2.176 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 53 43.204 -0.171 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.314 1.201 3.456 1.00 0.00 H new ATOM 860 N GLY A 54 46.683 -1.090 2.438 1.00 0.00 N ATOM 861 CA GLY A 54 47.019 -2.217 3.352 1.00 0.00 C ATOM 862 C GLY A 54 48.322 -1.884 4.061 1.00 0.00 C ATOM 863 O GLY A 54 48.775 -0.758 4.014 1.00 0.00 O ATOM 0 H GLY A 54 47.427 -0.406 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.220 -2.369 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.119 -3.145 2.789 1.00 0.00 H new ATOM 867 N TYR A 55 48.932 -2.837 4.719 1.00 0.00 N ATOM 868 CA TYR A 55 50.203 -2.525 5.426 1.00 0.00 C ATOM 869 C TYR A 55 51.426 -2.861 4.569 1.00 0.00 C ATOM 870 O TYR A 55 51.425 -3.788 3.783 1.00 0.00 O ATOM 871 CB TYR A 55 50.185 -3.353 6.713 1.00 0.00 C ATOM 872 CG TYR A 55 49.137 -2.805 7.651 1.00 0.00 C ATOM 873 CD1 TYR A 55 47.778 -2.958 7.350 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.524 -2.142 8.822 1.00 0.00 C ATOM 875 CE1 TYR A 55 46.806 -2.448 8.222 1.00 0.00 C ATOM 876 CE2 TYR A 55 48.554 -1.633 9.692 1.00 0.00 C ATOM 877 CZ TYR A 55 47.195 -1.785 9.392 1.00 0.00 C ATOM 878 OH TYR A 55 46.238 -1.284 10.251 1.00 0.00 O ATOM 0 H TYR A 55 48.609 -3.801 4.795 1.00 0.00 H new ATOM 0 HA TYR A 55 50.277 -1.459 5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 55 49.972 -4.397 6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.165 -3.325 7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.479 -3.469 6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 55 50.572 -2.023 9.054 1.00 0.00 H new ATOM 0 HE1 TYR A 55 45.758 -2.567 7.991 1.00 0.00 H new ATOM 0 HE2 TYR A 55 48.854 -1.123 10.595 1.00 0.00 H new ATOM 0 HH TYR A 55 46.677 -0.855 11.015 1.00 0.00 H new ATOM 888 N ILE A 56 52.464 -2.084 4.721 1.00 0.00 N ATOM 889 CA ILE A 56 53.716 -2.291 3.936 1.00 0.00 C ATOM 890 C ILE A 56 54.935 -1.920 4.817 1.00 0.00 C ATOM 891 O ILE A 56 55.076 -0.763 5.167 1.00 0.00 O ATOM 892 CB ILE A 56 53.587 -1.296 2.774 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.471 -1.757 1.833 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.900 -1.196 1.990 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.164 -1.061 2.210 1.00 0.00 C ATOM 0 H ILE A 56 52.498 -1.298 5.370 1.00 0.00 H new ATOM 0 HA ILE A 56 53.852 -3.318 3.598 1.00 0.00 H new ATOM 0 HB ILE A 56 53.352 -0.314 3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.733 -1.526 0.801 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.351 -2.838 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.782 -0.485 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.695 -0.857 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.158 -2.175 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.370 -1.390 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.900 -1.314 3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.288 0.018 2.123 1.00 0.00 H new ATOM 907 N PRO A 57 55.795 -2.874 5.144 1.00 0.00 N ATOM 908 CA PRO A 57 56.987 -2.541 5.963 1.00 0.00 C ATOM 909 C PRO A 57 57.866 -1.531 5.207 1.00 0.00 C ATOM 910 O PRO A 57 58.293 -1.781 4.098 1.00 0.00 O ATOM 911 CB PRO A 57 57.686 -3.895 6.119 1.00 0.00 C ATOM 912 CG PRO A 57 56.857 -4.965 5.383 1.00 0.00 C ATOM 913 CD PRO A 57 55.641 -4.296 4.737 1.00 0.00 C ATOM 0 HA PRO A 57 56.758 -2.080 6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.695 -3.849 5.708 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.783 -4.151 7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.465 -5.455 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.535 -5.738 6.081 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.645 -4.409 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.705 -4.722 5.099 1.00 0.00 H new ATOM 921 N SER A 58 58.112 -0.382 5.793 1.00 0.00 N ATOM 922 CA SER A 58 58.939 0.674 5.112 1.00 0.00 C ATOM 923 C SER A 58 60.232 0.097 4.521 1.00 0.00 C ATOM 924 O SER A 58 60.561 0.343 3.376 1.00 0.00 O ATOM 925 CB SER A 58 59.266 1.688 6.209 1.00 0.00 C ATOM 926 OG SER A 58 59.436 2.973 5.625 1.00 0.00 O ATOM 0 H SER A 58 57.774 -0.126 6.721 1.00 0.00 H new ATOM 0 HA SER A 58 58.399 1.116 4.275 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.464 1.714 6.947 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.174 1.392 6.735 1.00 0.00 H new ATOM 0 HG SER A 58 58.561 3.337 5.374 1.00 0.00 H new ATOM 932 N ASN A 59 60.966 -0.661 5.295 1.00 0.00 N ATOM 933 CA ASN A 59 62.243 -1.248 4.781 1.00 0.00 C ATOM 934 C ASN A 59 61.964 -2.141 3.565 1.00 0.00 C ATOM 935 O ASN A 59 62.704 -2.150 2.599 1.00 0.00 O ATOM 936 CB ASN A 59 62.819 -2.048 5.968 1.00 0.00 C ATOM 937 CG ASN A 59 62.098 -3.392 6.154 1.00 0.00 C ATOM 938 OD1 ASN A 59 62.590 -4.419 5.730 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.951 -3.427 6.778 1.00 0.00 N ATOM 0 H ASN A 59 60.738 -0.899 6.260 1.00 0.00 H new ATOM 0 HA ASN A 59 62.950 -0.492 4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.882 -2.225 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.730 -1.459 6.881 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.469 -4.316 6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.538 -2.565 7.134 1.00 0.00 H new ATOM 946 N TYR A 60 60.903 -2.893 3.627 1.00 0.00 N ATOM 947 CA TYR A 60 60.550 -3.808 2.496 1.00 0.00 C ATOM 948 C TYR A 60 60.334 -3.024 1.194 1.00 0.00 C ATOM 949 O TYR A 60 60.365 -3.594 0.123 1.00 0.00 O ATOM 950 CB TYR A 60 59.249 -4.499 2.921 1.00 0.00 C ATOM 951 CG TYR A 60 59.547 -5.902 3.398 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.262 -6.101 4.584 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.102 -7.002 2.655 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.535 -7.400 5.027 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.375 -8.303 3.098 1.00 0.00 C ATOM 956 CZ TYR A 60 60.091 -8.501 4.284 1.00 0.00 C ATOM 957 OH TYR A 60 60.360 -9.783 4.721 1.00 0.00 O ATOM 0 H TYR A 60 60.257 -2.917 4.416 1.00 0.00 H new ATOM 0 HA TYR A 60 61.351 -4.521 2.300 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.767 -3.930 3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.552 -4.530 2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.603 -5.252 5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.548 -6.848 1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 60 61.088 -7.554 5.942 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.033 -9.152 2.525 1.00 0.00 H new ATOM 0 HH TYR A 60 59.981 -10.430 4.090 1.00 0.00 H new ATOM 967 N VAL A 61 60.118 -1.732 1.267 1.00 0.00 N ATOM 968 CA VAL A 61 59.906 -0.941 0.010 1.00 0.00 C ATOM 969 C VAL A 61 60.925 0.197 -0.093 1.00 0.00 C ATOM 970 O VAL A 61 61.631 0.499 0.850 1.00 0.00 O ATOM 971 CB VAL A 61 58.486 -0.375 0.093 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.478 -1.524 0.090 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.323 0.444 1.377 1.00 0.00 C ATOM 0 H VAL A 61 60.079 -1.194 2.133 1.00 0.00 H new ATOM 0 HA VAL A 61 60.035 -1.568 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 61 58.308 0.270 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.467 -1.121 0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.586 -2.100 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.661 -2.171 0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.310 0.843 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.505 -0.194 2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.037 1.267 1.377 1.00 0.00 H new ATOM 983 N THR A 62 60.993 0.834 -1.235 1.00 0.00 N ATOM 984 CA THR A 62 61.953 1.963 -1.418 1.00 0.00 C ATOM 985 C THR A 62 61.274 3.083 -2.232 1.00 0.00 C ATOM 986 O THR A 62 60.148 3.440 -1.955 1.00 0.00 O ATOM 987 CB THR A 62 63.154 1.343 -2.150 1.00 0.00 C ATOM 988 OG1 THR A 62 64.148 2.338 -2.347 1.00 0.00 O ATOM 989 CG2 THR A 62 62.716 0.786 -3.506 1.00 0.00 C ATOM 0 H THR A 62 60.421 0.619 -2.052 1.00 0.00 H new ATOM 0 HA THR A 62 62.273 2.422 -0.483 1.00 0.00 H new ATOM 0 HB THR A 62 63.558 0.530 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.916 1.945 -2.812 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.575 0.350 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.955 0.020 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.305 1.591 -4.114 1.00 0.00 H new ATOM 997 N GLU A 63 61.932 3.647 -3.221 1.00 0.00 N ATOM 998 CA GLU A 63 61.293 4.736 -4.020 1.00 0.00 C ATOM 999 C GLU A 63 60.563 4.146 -5.231 1.00 0.00 C ATOM 1000 O GLU A 63 61.048 3.236 -5.873 1.00 0.00 O ATOM 1001 CB GLU A 63 62.446 5.633 -4.469 1.00 0.00 C ATOM 1002 CG GLU A 63 61.995 7.095 -4.446 1.00 0.00 C ATOM 1003 CD GLU A 63 63.180 7.989 -4.072 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.085 8.107 -4.881 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.159 8.539 -2.984 1.00 0.00 O ATOM 0 H GLU A 63 62.880 3.399 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 63 60.552 5.289 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.305 5.496 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.766 5.356 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.604 7.381 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.186 7.226 -3.727 1.00 0.00 H new ATOM 1012 N ALA A 64 59.397 4.659 -5.539 1.00 0.00 N ATOM 1013 CA ALA A 64 58.615 4.131 -6.704 1.00 0.00 C ATOM 1014 C ALA A 64 59.455 4.180 -7.990 1.00 0.00 C ATOM 1015 O ALA A 64 60.629 4.495 -7.963 1.00 0.00 O ATOM 1016 CB ALA A 64 57.402 5.054 -6.829 1.00 0.00 C ATOM 0 H ALA A 64 58.950 5.424 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 64 58.325 3.091 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.781 4.728 -7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.820 5.017 -5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.739 6.076 -7.005 1.00 0.00 H new