USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=7 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 154:sc= -0.115 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.3!) USER MOD Single : A 23 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.53) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 79:sc= -1.44 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.18) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc=-0.000227 USER MOD Single : A 59 ASN : amide:sc= -2.74 K(o=-2.7,f=-1.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.313 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.759 7.501 -3.506 1.00 0.00 N ATOM 131 CA LYS A 10 54.744 6.058 -3.899 1.00 0.00 C ATOM 132 C LYS A 10 56.089 5.404 -3.552 1.00 0.00 C ATOM 133 O LYS A 10 57.004 6.062 -3.098 1.00 0.00 O ATOM 134 CB LYS A 10 54.485 6.041 -5.415 1.00 0.00 C ATOM 135 CG LYS A 10 55.497 6.932 -6.142 1.00 0.00 C ATOM 136 CD LYS A 10 54.979 8.378 -6.202 1.00 0.00 C ATOM 137 CE LYS A 10 56.036 9.334 -5.640 1.00 0.00 C ATOM 138 NZ LYS A 10 56.797 9.806 -6.830 1.00 0.00 N ATOM 0 HA LYS A 10 53.977 5.494 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.555 5.020 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.472 6.388 -5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.457 6.902 -5.626 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.666 6.556 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.744 8.647 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.055 8.467 -5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 10 55.574 10.167 -5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 10 56.689 8.828 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 57.541 10.466 -6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 57.231 8.992 -7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 56.151 10.290 -7.486 1.00 0.00 H new ATOM 152 N VAL A 11 56.210 4.113 -3.758 1.00 0.00 N ATOM 153 CA VAL A 11 57.488 3.398 -3.431 1.00 0.00 C ATOM 154 C VAL A 11 57.562 2.086 -4.204 1.00 0.00 C ATOM 155 O VAL A 11 56.576 1.615 -4.733 1.00 0.00 O ATOM 156 CB VAL A 11 57.457 3.090 -1.922 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.758 4.357 -1.126 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.089 2.530 -1.513 1.00 0.00 C ATOM 0 H VAL A 11 55.474 3.520 -4.141 1.00 0.00 H new ATOM 0 HA VAL A 11 58.350 4.009 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 11 58.218 2.340 -1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.734 4.131 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.746 4.730 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.009 5.116 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.087 2.319 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.314 3.262 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.892 1.611 -2.065 1.00 0.00 H new ATOM 168 N VAL A 12 58.721 1.486 -4.254 1.00 0.00 N ATOM 169 CA VAL A 12 58.869 0.194 -4.979 1.00 0.00 C ATOM 170 C VAL A 12 58.878 -0.954 -3.946 1.00 0.00 C ATOM 171 O VAL A 12 58.887 -0.718 -2.753 1.00 0.00 O ATOM 172 CB VAL A 12 60.221 0.349 -5.727 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.079 -0.923 -5.695 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.944 0.709 -7.182 1.00 0.00 C ATOM 0 H VAL A 12 59.575 1.838 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 12 58.065 -0.038 -5.677 1.00 0.00 H new ATOM 0 HB VAL A 12 60.779 1.133 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.009 -0.748 -6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.303 -1.185 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.534 -1.741 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.888 0.820 -7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.355 -0.082 -7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.390 1.647 -7.226 1.00 0.00 H new ATOM 184 N ALA A 13 58.906 -2.183 -4.398 1.00 0.00 N ATOM 185 CA ALA A 13 58.950 -3.334 -3.444 1.00 0.00 C ATOM 186 C ALA A 13 60.285 -4.072 -3.583 1.00 0.00 C ATOM 187 O ALA A 13 60.857 -4.137 -4.655 1.00 0.00 O ATOM 188 CB ALA A 13 57.796 -4.246 -3.849 1.00 0.00 C ATOM 0 H ALA A 13 58.900 -2.439 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 13 58.861 -3.011 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.769 -5.113 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.856 -3.700 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.938 -4.577 -4.878 1.00 0.00 H new ATOM 194 N LEU A 14 60.784 -4.624 -2.507 1.00 0.00 N ATOM 195 CA LEU A 14 62.085 -5.356 -2.568 1.00 0.00 C ATOM 196 C LEU A 14 61.860 -6.866 -2.435 1.00 0.00 C ATOM 197 O LEU A 14 62.663 -7.660 -2.889 1.00 0.00 O ATOM 198 CB LEU A 14 62.892 -4.828 -1.381 1.00 0.00 C ATOM 199 CG LEU A 14 63.437 -3.438 -1.712 1.00 0.00 C ATOM 200 CD1 LEU A 14 64.075 -2.827 -0.463 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.491 -3.556 -2.817 1.00 0.00 C ATOM 0 H LEU A 14 60.345 -4.599 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 14 62.599 -5.198 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.263 -4.781 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.713 -5.508 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 14 62.622 -2.799 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.463 -1.836 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.326 -2.744 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.891 -3.464 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.881 -2.566 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.306 -4.195 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.037 -3.991 -3.708 1.00 0.00 H new ATOM 213 N TYR A 15 60.780 -7.268 -1.813 1.00 0.00 N ATOM 214 CA TYR A 15 60.505 -8.727 -1.648 1.00 0.00 C ATOM 215 C TYR A 15 59.000 -9.000 -1.722 1.00 0.00 C ATOM 216 O TYR A 15 58.213 -8.116 -2.003 1.00 0.00 O ATOM 217 CB TYR A 15 61.045 -9.079 -0.261 1.00 0.00 C ATOM 218 CG TYR A 15 62.535 -9.310 -0.346 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.037 -10.361 -1.121 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.414 -8.473 0.352 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.418 -10.576 -1.201 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.796 -8.686 0.272 1.00 0.00 C ATOM 223 CZ TYR A 15 65.297 -9.739 -0.503 1.00 0.00 C ATOM 224 OH TYR A 15 66.659 -9.950 -0.582 1.00 0.00 O ATOM 0 H TYR A 15 60.077 -6.648 -1.412 1.00 0.00 H new ATOM 0 HA TYR A 15 60.972 -9.323 -2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.830 -8.273 0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.549 -9.972 0.119 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.358 -11.007 -1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 15 63.026 -7.663 0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 15 64.805 -11.387 -1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.475 -8.039 0.808 1.00 0.00 H new ATOM 0 HH TYR A 15 67.126 -9.280 -0.040 1.00 0.00 H new ATOM 234 N ASP A 16 58.599 -10.221 -1.470 1.00 0.00 N ATOM 235 CA ASP A 16 57.147 -10.566 -1.524 1.00 0.00 C ATOM 236 C ASP A 16 56.558 -10.605 -0.110 1.00 0.00 C ATOM 237 O ASP A 16 57.252 -10.866 0.854 1.00 0.00 O ATOM 238 CB ASP A 16 57.094 -11.953 -2.165 1.00 0.00 C ATOM 239 CG ASP A 16 57.124 -11.813 -3.688 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.211 -11.728 -4.234 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.058 -11.794 -4.282 1.00 0.00 O ATOM 0 H ASP A 16 59.217 -10.995 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 16 56.569 -9.833 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.939 -12.554 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.188 -12.474 -1.855 1.00 0.00 H new ATOM 246 N TYR A 17 55.280 -10.346 0.014 1.00 0.00 N ATOM 247 CA TYR A 17 54.630 -10.363 1.359 1.00 0.00 C ATOM 248 C TYR A 17 53.105 -10.329 1.189 1.00 0.00 C ATOM 249 O TYR A 17 52.494 -9.277 1.201 1.00 0.00 O ATOM 250 CB TYR A 17 55.148 -9.097 2.059 1.00 0.00 C ATOM 251 CG TYR A 17 54.445 -8.896 3.384 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.875 -9.590 4.521 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.366 -8.008 3.472 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.223 -9.397 5.744 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.715 -7.815 4.695 1.00 0.00 C ATOM 256 CZ TYR A 17 53.144 -8.510 5.833 1.00 0.00 C ATOM 257 OH TYR A 17 52.503 -8.321 7.039 1.00 0.00 O ATOM 0 H TYR A 17 54.657 -10.123 -0.762 1.00 0.00 H new ATOM 0 HA TYR A 17 54.861 -11.257 1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.223 -9.178 2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.986 -8.229 1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.709 -10.273 4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.036 -7.471 2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.553 -9.934 6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 17 51.882 -7.131 4.762 1.00 0.00 H new ATOM 0 HH TYR A 17 52.090 -7.432 7.054 1.00 0.00 H new ATOM 267 N MET A 18 52.495 -11.475 1.026 1.00 0.00 N ATOM 268 CA MET A 18 51.010 -11.524 0.850 1.00 0.00 C ATOM 269 C MET A 18 50.300 -11.093 2.146 1.00 0.00 C ATOM 270 O MET A 18 50.902 -11.107 3.202 1.00 0.00 O ATOM 271 CB MET A 18 50.683 -12.983 0.510 1.00 0.00 C ATOM 272 CG MET A 18 51.175 -13.907 1.630 1.00 0.00 C ATOM 273 SD MET A 18 50.306 -15.492 1.529 1.00 0.00 S ATOM 274 CE MET A 18 51.651 -16.528 2.157 1.00 0.00 C ATOM 0 H MET A 18 52.962 -12.382 1.007 1.00 0.00 H new ATOM 0 HA MET A 18 50.672 -10.846 0.066 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.608 -13.101 0.376 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.154 -13.259 -0.433 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.250 -14.063 1.541 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.999 -13.445 2.601 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.328 -17.569 2.181 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.519 -16.432 1.505 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.917 -16.208 3.164 1.00 0.00 H new ATOM 284 N PRO A 19 49.037 -10.714 2.036 1.00 0.00 N ATOM 285 CA PRO A 19 48.276 -10.276 3.231 1.00 0.00 C ATOM 286 C PRO A 19 48.026 -11.455 4.177 1.00 0.00 C ATOM 287 O PRO A 19 48.104 -12.604 3.784 1.00 0.00 O ATOM 288 CB PRO A 19 46.961 -9.768 2.625 1.00 0.00 C ATOM 289 CG PRO A 19 47.022 -9.944 1.095 1.00 0.00 C ATOM 290 CD PRO A 19 48.303 -10.697 0.741 1.00 0.00 C ATOM 0 HA PRO A 19 48.795 -9.525 3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.117 -10.322 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.808 -8.719 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.150 -10.495 0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.006 -8.972 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.095 -11.704 0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.869 -10.189 -0.040 1.00 0.00 H new ATOM 298 N MET A 20 47.719 -11.174 5.416 1.00 0.00 N ATOM 299 CA MET A 20 47.451 -12.266 6.398 1.00 0.00 C ATOM 300 C MET A 20 45.952 -12.335 6.690 1.00 0.00 C ATOM 301 O MET A 20 45.343 -13.387 6.627 1.00 0.00 O ATOM 302 CB MET A 20 48.220 -11.870 7.659 1.00 0.00 C ATOM 303 CG MET A 20 49.716 -11.786 7.346 1.00 0.00 C ATOM 304 SD MET A 20 50.485 -13.401 7.623 1.00 0.00 S ATOM 305 CE MET A 20 51.052 -13.676 5.927 1.00 0.00 C ATOM 0 H MET A 20 47.642 -10.229 5.792 1.00 0.00 H new ATOM 0 HA MET A 20 47.759 -13.244 6.028 1.00 0.00 H new ATOM 0 HB2 MET A 20 47.861 -10.909 8.029 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.044 -12.601 8.448 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.865 -11.473 6.312 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.188 -11.034 7.978 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.565 -14.636 5.866 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.195 -13.679 5.253 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.737 -12.879 5.639 1.00 0.00 H new ATOM 315 N ASN A 21 45.357 -11.214 7.000 1.00 0.00 N ATOM 316 CA ASN A 21 43.895 -11.187 7.295 1.00 0.00 C ATOM 317 C ASN A 21 43.220 -10.073 6.493 1.00 0.00 C ATOM 318 O ASN A 21 42.221 -10.287 5.832 1.00 0.00 O ATOM 319 CB ASN A 21 43.796 -10.905 8.794 1.00 0.00 C ATOM 320 CG ASN A 21 42.385 -11.239 9.284 1.00 0.00 C ATOM 321 OD1 ASN A 21 41.414 -10.975 8.603 1.00 0.00 O ATOM 322 ND2 ASN A 21 42.230 -11.811 10.447 1.00 0.00 N ATOM 0 H ASN A 21 45.825 -10.310 7.062 1.00 0.00 H new ATOM 0 HA ASN A 21 43.401 -12.120 7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.531 -11.500 9.336 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.023 -9.858 8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.294 -12.036 10.784 1.00 0.00 H new ATOM 0 HD22 ASN A 21 43.045 -12.033 11.019 1.00 0.00 H new ATOM 329 N ALA A 22 43.766 -8.886 6.546 1.00 0.00 N ATOM 330 CA ALA A 22 43.173 -7.738 5.789 1.00 0.00 C ATOM 331 C ALA A 22 44.092 -6.515 5.864 1.00 0.00 C ATOM 332 O ALA A 22 44.243 -5.783 4.903 1.00 0.00 O ATOM 333 CB ALA A 22 41.839 -7.442 6.478 1.00 0.00 C ATOM 0 H ALA A 22 44.602 -8.659 7.084 1.00 0.00 H new ATOM 0 HA ALA A 22 43.042 -7.975 4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.347 -6.609 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.201 -8.324 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.018 -7.181 7.521 1.00 0.00 H new ATOM 339 N ASN A 23 44.700 -6.293 6.998 1.00 0.00 N ATOM 340 CA ASN A 23 45.612 -5.116 7.150 1.00 0.00 C ATOM 341 C ASN A 23 46.756 -5.168 6.153 1.00 0.00 C ATOM 342 O ASN A 23 46.940 -4.278 5.347 1.00 0.00 O ATOM 343 CB ASN A 23 46.190 -5.226 8.553 1.00 0.00 C ATOM 344 CG ASN A 23 45.327 -4.436 9.537 1.00 0.00 C ATOM 345 OD1 ASN A 23 45.828 -3.618 10.282 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.040 -4.646 9.571 1.00 0.00 N ATOM 0 H ASN A 23 44.606 -6.876 7.830 1.00 0.00 H new ATOM 0 HA ASN A 23 45.067 -4.188 6.979 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.236 -6.272 8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.211 -4.845 8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.455 -4.123 10.223 1.00 0.00 H new ATOM 0 HD22 ASN A 23 43.619 -5.333 8.946 1.00 0.00 H new ATOM 353 N ASP A 24 47.556 -6.193 6.245 1.00 0.00 N ATOM 354 CA ASP A 24 48.743 -6.317 5.351 1.00 0.00 C ATOM 355 C ASP A 24 48.368 -6.099 3.876 1.00 0.00 C ATOM 356 O ASP A 24 47.361 -6.591 3.403 1.00 0.00 O ATOM 357 CB ASP A 24 49.264 -7.737 5.567 1.00 0.00 C ATOM 358 CG ASP A 24 49.795 -7.875 6.994 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.446 -6.951 7.454 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.543 -8.901 7.604 1.00 0.00 O ATOM 0 H ASP A 24 47.438 -6.959 6.908 1.00 0.00 H new ATOM 0 HA ASP A 24 49.493 -5.561 5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.466 -8.459 5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.055 -7.958 4.850 1.00 0.00 H new ATOM 365 N LEU A 25 49.177 -5.363 3.155 1.00 0.00 N ATOM 366 CA LEU A 25 48.885 -5.105 1.716 1.00 0.00 C ATOM 367 C LEU A 25 49.647 -6.111 0.850 1.00 0.00 C ATOM 368 O LEU A 25 50.830 -6.326 1.031 1.00 0.00 O ATOM 369 CB LEU A 25 49.378 -3.677 1.453 1.00 0.00 C ATOM 370 CG LEU A 25 48.805 -3.178 0.118 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.305 -2.898 0.268 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.523 -1.891 -0.305 1.00 0.00 C ATOM 0 H LEU A 25 50.031 -4.929 3.506 1.00 0.00 H new ATOM 0 HA LEU A 25 47.826 -5.210 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.067 -3.018 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.467 -3.656 1.425 1.00 0.00 H new ATOM 0 HG LEU A 25 48.956 -3.945 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 25 46.904 -2.544 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.791 -3.814 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.152 -2.136 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.114 -1.540 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.378 -1.126 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.588 -2.090 -0.422 1.00 0.00 H new ATOM 384 N GLN A 26 48.973 -6.735 -0.084 1.00 0.00 N ATOM 385 CA GLN A 26 49.651 -7.741 -0.963 1.00 0.00 C ATOM 386 C GLN A 26 50.838 -7.110 -1.693 1.00 0.00 C ATOM 387 O GLN A 26 50.697 -6.563 -2.770 1.00 0.00 O ATOM 388 CB GLN A 26 48.583 -8.188 -1.963 1.00 0.00 C ATOM 389 CG GLN A 26 49.071 -9.430 -2.712 1.00 0.00 C ATOM 390 CD GLN A 26 48.144 -9.711 -3.895 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.080 -10.274 -3.727 1.00 0.00 O ATOM 392 NE2 GLN A 26 48.504 -9.341 -5.092 1.00 0.00 N ATOM 0 H GLN A 26 47.982 -6.592 -0.277 1.00 0.00 H new ATOM 0 HA GLN A 26 50.047 -8.578 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.651 -8.408 -1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.372 -7.385 -2.669 1.00 0.00 H new ATOM 0 HG2 GLN A 26 50.091 -9.277 -3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.091 -10.288 -2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 26 49.397 -8.869 -5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 26 47.893 -9.524 -5.888 1.00 0.00 H new ATOM 401 N LEU A 27 52.008 -7.193 -1.112 1.00 0.00 N ATOM 402 CA LEU A 27 53.215 -6.610 -1.765 1.00 0.00 C ATOM 403 C LEU A 27 53.785 -7.599 -2.787 1.00 0.00 C ATOM 404 O LEU A 27 53.213 -8.641 -3.046 1.00 0.00 O ATOM 405 CB LEU A 27 54.213 -6.376 -0.627 1.00 0.00 C ATOM 406 CG LEU A 27 54.034 -4.968 -0.042 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.773 -5.072 1.464 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.307 -4.146 -0.278 1.00 0.00 C ATOM 0 H LEU A 27 52.178 -7.641 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 27 52.992 -5.688 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.067 -7.123 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.231 -6.497 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 27 53.190 -4.480 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 27 53.646 -4.073 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.869 -5.655 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 27 54.619 -5.562 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.177 -3.147 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.151 -4.635 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.499 -4.071 -1.348 1.00 0.00 H new ATOM 420 N ARG A 28 54.908 -7.272 -3.370 1.00 0.00 N ATOM 421 CA ARG A 28 55.547 -8.170 -4.388 1.00 0.00 C ATOM 422 C ARG A 28 56.857 -7.538 -4.870 1.00 0.00 C ATOM 423 O ARG A 28 56.887 -6.391 -5.267 1.00 0.00 O ATOM 424 CB ARG A 28 54.543 -8.272 -5.551 1.00 0.00 C ATOM 425 CG ARG A 28 54.288 -9.744 -5.886 1.00 0.00 C ATOM 426 CD ARG A 28 55.218 -10.179 -7.020 1.00 0.00 C ATOM 427 NE ARG A 28 55.000 -11.646 -7.154 1.00 0.00 N ATOM 428 CZ ARG A 28 53.908 -12.096 -7.708 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.797 -12.132 -7.025 1.00 0.00 N ATOM 430 NH2 ARG A 28 53.927 -12.510 -8.947 1.00 0.00 N ATOM 0 H ARG A 28 55.420 -6.409 -3.184 1.00 0.00 H new ATOM 0 HA ARG A 28 55.779 -9.154 -3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.607 -7.783 -5.280 1.00 0.00 H new ATOM 0 HB3 ARG A 28 54.932 -7.752 -6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.458 -10.363 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 28 53.248 -9.886 -6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 28 54.980 -9.658 -7.947 1.00 0.00 H new ATOM 0 HD3 ARG A 28 56.258 -9.954 -6.786 1.00 0.00 H new ATOM 0 HE ARG A 28 55.705 -12.299 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 28 52.782 -11.808 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 28 51.943 -12.484 -7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 28 54.796 -12.481 -9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 28 53.073 -12.862 -9.380 1.00 0.00 H new ATOM 444 N LYS A 29 57.940 -8.274 -4.830 1.00 0.00 N ATOM 445 CA LYS A 29 59.259 -7.713 -5.275 1.00 0.00 C ATOM 446 C LYS A 29 59.169 -7.114 -6.684 1.00 0.00 C ATOM 447 O LYS A 29 58.717 -7.752 -7.615 1.00 0.00 O ATOM 448 CB LYS A 29 60.226 -8.900 -5.256 1.00 0.00 C ATOM 449 CG LYS A 29 61.635 -8.425 -5.620 1.00 0.00 C ATOM 450 CD LYS A 29 62.632 -9.563 -5.396 1.00 0.00 C ATOM 451 CE LYS A 29 62.649 -10.476 -6.624 1.00 0.00 C ATOM 452 NZ LYS A 29 63.646 -9.865 -7.546 1.00 0.00 N ATOM 0 H LYS A 29 57.970 -9.241 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 29 59.586 -6.903 -4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.231 -9.361 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.895 -9.662 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.664 -8.102 -6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.908 -7.563 -5.011 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.628 -9.158 -5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.356 -10.134 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 29 62.932 -11.494 -6.355 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.664 -10.531 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.713 -10.436 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.347 -8.899 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.575 -9.832 -7.080 1.00 0.00 H new ATOM 466 N GLY A 30 59.604 -5.887 -6.836 1.00 0.00 N ATOM 467 CA GLY A 30 59.559 -5.224 -8.172 1.00 0.00 C ATOM 468 C GLY A 30 58.271 -4.409 -8.314 1.00 0.00 C ATOM 469 O GLY A 30 58.199 -3.490 -9.110 1.00 0.00 O ATOM 0 H GLY A 30 59.990 -5.314 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.425 -4.573 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.612 -5.975 -8.961 1.00 0.00 H new ATOM 473 N ASP A 31 57.252 -4.735 -7.556 1.00 0.00 N ATOM 474 CA ASP A 31 55.972 -3.978 -7.654 1.00 0.00 C ATOM 475 C ASP A 31 56.050 -2.702 -6.813 1.00 0.00 C ATOM 476 O ASP A 31 56.553 -2.710 -5.708 1.00 0.00 O ATOM 477 CB ASP A 31 54.897 -4.929 -7.105 1.00 0.00 C ATOM 478 CG ASP A 31 53.842 -5.199 -8.183 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.160 -5.894 -9.133 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.736 -4.704 -8.038 1.00 0.00 O ATOM 0 H ASP A 31 57.255 -5.494 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 31 55.751 -3.670 -8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.355 -5.866 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.427 -4.491 -6.225 1.00 0.00 H new ATOM 485 N GLU A 32 55.555 -1.607 -7.326 1.00 0.00 N ATOM 486 CA GLU A 32 55.598 -0.326 -6.549 1.00 0.00 C ATOM 487 C GLU A 32 54.183 0.002 -6.070 1.00 0.00 C ATOM 488 O GLU A 32 53.223 -0.592 -6.526 1.00 0.00 O ATOM 489 CB GLU A 32 56.136 0.763 -7.502 1.00 0.00 C ATOM 490 CG GLU A 32 57.213 0.206 -8.448 1.00 0.00 C ATOM 491 CD GLU A 32 56.565 -0.242 -9.762 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.416 -0.651 -9.728 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.231 -0.166 -10.782 1.00 0.00 O ATOM 0 H GLU A 32 55.123 -1.541 -8.247 1.00 0.00 H new ATOM 0 HA GLU A 32 56.243 -0.395 -5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.313 1.173 -8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.553 1.584 -6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.967 0.968 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.724 -0.634 -7.978 1.00 0.00 H new ATOM 500 N TYR A 33 54.039 0.901 -5.123 1.00 0.00 N ATOM 501 CA TYR A 33 52.674 1.200 -4.594 1.00 0.00 C ATOM 502 C TYR A 33 52.444 2.702 -4.411 1.00 0.00 C ATOM 503 O TYR A 33 53.220 3.530 -4.842 1.00 0.00 O ATOM 504 CB TYR A 33 52.624 0.521 -3.221 1.00 0.00 C ATOM 505 CG TYR A 33 53.196 -0.879 -3.283 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.526 -1.884 -3.987 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.407 -1.159 -2.643 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.067 -3.172 -4.049 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.949 -2.444 -2.705 1.00 0.00 C ATOM 510 CZ TYR A 33 54.280 -3.451 -3.407 1.00 0.00 C ATOM 511 OH TYR A 33 54.817 -4.716 -3.471 1.00 0.00 O ATOM 0 H TYR A 33 54.799 1.433 -4.700 1.00 0.00 H new ATOM 0 HA TYR A 33 51.910 0.846 -5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.184 1.114 -2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.593 0.480 -2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.591 -1.666 -4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.923 -0.381 -2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.550 -3.950 -4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.885 -2.660 -2.211 1.00 0.00 H new ATOM 0 HH TYR A 33 55.258 -4.841 -4.337 1.00 0.00 H new ATOM 521 N PHE A 34 51.369 3.037 -3.741 1.00 0.00 N ATOM 522 CA PHE A 34 51.040 4.470 -3.475 1.00 0.00 C ATOM 523 C PHE A 34 51.081 4.724 -1.968 1.00 0.00 C ATOM 524 O PHE A 34 50.465 4.011 -1.200 1.00 0.00 O ATOM 525 CB PHE A 34 49.621 4.660 -4.008 1.00 0.00 C ATOM 526 CG PHE A 34 49.678 5.092 -5.454 1.00 0.00 C ATOM 527 CD1 PHE A 34 49.774 6.451 -5.774 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.635 4.133 -6.472 1.00 0.00 C ATOM 529 CE1 PHE A 34 49.826 6.852 -7.116 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.688 4.534 -7.814 1.00 0.00 C ATOM 531 CZ PHE A 34 49.783 5.893 -8.134 1.00 0.00 C ATOM 0 H PHE A 34 50.698 2.369 -3.363 1.00 0.00 H new ATOM 0 HA PHE A 34 51.742 5.158 -3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.060 3.730 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.096 5.408 -3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 34 49.808 7.190 -4.987 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.561 3.085 -6.224 1.00 0.00 H new ATOM 0 HE1 PHE A 34 49.899 7.901 -7.364 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.656 3.795 -8.601 1.00 0.00 H new ATOM 0 HZ PHE A 34 49.823 6.202 -9.168 1.00 0.00 H new ATOM 541 N ILE A 35 51.817 5.715 -1.538 1.00 0.00 N ATOM 542 CA ILE A 35 51.925 5.987 -0.071 1.00 0.00 C ATOM 543 C ILE A 35 50.917 7.033 0.405 1.00 0.00 C ATOM 544 O ILE A 35 50.708 8.056 -0.218 1.00 0.00 O ATOM 545 CB ILE A 35 53.359 6.489 0.137 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.368 5.446 -0.369 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.609 6.750 1.627 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.148 4.108 0.345 1.00 0.00 C ATOM 0 H ILE A 35 52.348 6.348 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 35 51.705 5.089 0.506 1.00 0.00 H new ATOM 0 HB ILE A 35 53.487 7.415 -0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.258 5.315 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.385 5.798 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.629 7.106 1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.909 7.504 1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.467 5.826 2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.869 3.377 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.282 4.242 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.137 3.752 0.147 1.00 0.00 H new ATOM 560 N LEU A 36 50.315 6.772 1.535 1.00 0.00 N ATOM 561 CA LEU A 36 49.331 7.727 2.120 1.00 0.00 C ATOM 562 C LEU A 36 49.888 8.265 3.445 1.00 0.00 C ATOM 563 O LEU A 36 49.668 9.405 3.810 1.00 0.00 O ATOM 564 CB LEU A 36 48.063 6.904 2.367 1.00 0.00 C ATOM 565 CG LEU A 36 47.559 6.306 1.050 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.820 4.991 1.329 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.606 7.295 0.376 1.00 0.00 C ATOM 0 H LEU A 36 50.466 5.926 2.084 1.00 0.00 H new ATOM 0 HA LEU A 36 49.130 8.578 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.271 6.107 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.291 7.534 2.808 1.00 0.00 H new ATOM 0 HG LEU A 36 48.406 6.110 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.463 4.568 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.499 4.287 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 36 45.972 5.183 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.246 6.872 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.760 7.491 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 36 47.133 8.228 0.174 1.00 0.00 H new ATOM 579 N GLU A 37 50.616 7.442 4.159 1.00 0.00 N ATOM 580 CA GLU A 37 51.212 7.869 5.461 1.00 0.00 C ATOM 581 C GLU A 37 52.170 6.778 5.957 1.00 0.00 C ATOM 582 O GLU A 37 52.032 5.623 5.593 1.00 0.00 O ATOM 583 CB GLU A 37 50.027 8.036 6.422 1.00 0.00 C ATOM 584 CG GLU A 37 49.258 6.715 6.549 1.00 0.00 C ATOM 585 CD GLU A 37 47.764 7.004 6.706 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.393 7.560 7.727 1.00 0.00 O ATOM 587 OE2 GLU A 37 47.017 6.663 5.804 1.00 0.00 O ATOM 0 H GLU A 37 50.825 6.480 3.891 1.00 0.00 H new ATOM 0 HA GLU A 37 51.782 8.795 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 37 50.386 8.352 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.362 8.819 6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.428 6.097 5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.622 6.152 7.408 1.00 0.00 H new ATOM 653 N PRO A 42 57.416 1.029 11.465 1.00 0.00 N ATOM 654 CA PRO A 42 58.059 0.321 10.316 1.00 0.00 C ATOM 655 C PRO A 42 57.058 -0.020 9.205 1.00 0.00 C ATOM 656 O PRO A 42 57.318 0.231 8.042 1.00 0.00 O ATOM 657 CB PRO A 42 58.637 -0.935 10.978 1.00 0.00 C ATOM 658 CG PRO A 42 58.325 -0.881 12.486 1.00 0.00 C ATOM 659 CD PRO A 42 57.765 0.508 12.816 1.00 0.00 C ATOM 0 HA PRO A 42 58.811 0.926 9.809 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.204 -1.831 10.533 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.714 -0.987 10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 42 57.603 -1.654 12.752 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.227 -1.074 13.067 1.00 0.00 H new ATOM 0 HD2 PRO A 42 56.894 0.452 13.469 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.501 1.136 13.318 1.00 0.00 H new ATOM 667 N TRP A 43 55.918 -0.561 9.543 1.00 0.00 N ATOM 668 CA TRP A 43 54.908 -0.883 8.490 1.00 0.00 C ATOM 669 C TRP A 43 54.230 0.421 8.068 1.00 0.00 C ATOM 670 O TRP A 43 54.165 1.360 8.840 1.00 0.00 O ATOM 671 CB TRP A 43 53.910 -1.824 9.166 1.00 0.00 C ATOM 672 CG TRP A 43 54.581 -3.108 9.502 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.203 -3.351 10.665 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.705 -4.321 8.705 1.00 0.00 C ATOM 675 NE1 TRP A 43 55.712 -4.636 10.646 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.430 -5.276 9.456 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.266 -4.682 7.418 1.00 0.00 C ATOM 678 CZ2 TRP A 43 55.710 -6.546 8.949 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.547 -5.959 6.905 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.267 -6.889 7.670 1.00 0.00 C ATOM 0 H TRP A 43 55.642 -0.793 10.497 1.00 0.00 H new ATOM 0 HA TRP A 43 55.337 -1.345 7.601 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.514 -1.362 10.070 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.063 -2.007 8.505 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.292 -2.654 11.485 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.231 -5.059 11.415 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.710 -3.974 6.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.265 -7.258 9.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.207 -6.227 5.916 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.478 -7.870 7.270 1.00 0.00 H new ATOM 691 N TRP A 44 53.761 0.517 6.848 1.00 0.00 N ATOM 692 CA TRP A 44 53.133 1.798 6.405 1.00 0.00 C ATOM 693 C TRP A 44 51.647 1.612 6.112 1.00 0.00 C ATOM 694 O TRP A 44 51.051 0.628 6.484 1.00 0.00 O ATOM 695 CB TRP A 44 53.888 2.150 5.122 1.00 0.00 C ATOM 696 CG TRP A 44 55.077 3.019 5.394 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.611 3.294 6.604 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.881 3.733 4.423 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.698 4.137 6.433 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.903 4.434 5.098 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.812 3.831 3.029 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.831 5.214 4.404 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.737 4.609 2.323 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.748 5.302 3.008 1.00 0.00 C ATOM 0 H TRP A 44 53.785 -0.226 6.149 1.00 0.00 H new ATOM 0 HA TRP A 44 53.195 2.575 7.167 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.213 1.234 4.629 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.215 2.661 4.433 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.250 2.918 7.550 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.274 4.493 7.196 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.038 3.302 2.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 58.605 5.744 4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.673 4.677 1.247 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.460 5.901 2.460 1.00 0.00 H new ATOM 715 N ARG A 45 51.058 2.560 5.434 1.00 0.00 N ATOM 716 CA ARG A 45 49.618 2.460 5.072 1.00 0.00 C ATOM 717 C ARG A 45 49.480 2.923 3.622 1.00 0.00 C ATOM 718 O ARG A 45 48.987 3.999 3.345 1.00 0.00 O ATOM 719 CB ARG A 45 48.889 3.408 6.026 1.00 0.00 C ATOM 720 CG ARG A 45 48.284 2.605 7.180 1.00 0.00 C ATOM 721 CD ARG A 45 47.533 3.550 8.121 1.00 0.00 C ATOM 722 NE ARG A 45 46.308 3.946 7.371 1.00 0.00 N ATOM 723 CZ ARG A 45 45.130 3.766 7.903 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.836 4.330 9.042 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.247 3.021 7.297 1.00 0.00 N ATOM 0 H ARG A 45 51.521 3.410 5.112 1.00 0.00 H new ATOM 0 HA ARG A 45 49.210 1.453 5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.582 4.155 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.105 3.946 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.605 1.846 6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 45 49.070 2.082 7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 45 47.279 3.055 9.058 1.00 0.00 H new ATOM 0 HD3 ARG A 45 48.140 4.420 8.374 1.00 0.00 H new ATOM 0 HE ARG A 45 46.390 4.358 6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 45 45.527 4.911 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.915 4.190 9.458 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.477 2.579 6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.326 2.881 7.713 1.00 0.00 H new ATOM 739 N ALA A 46 49.956 2.125 2.705 1.00 0.00 N ATOM 740 CA ALA A 46 49.910 2.505 1.264 1.00 0.00 C ATOM 741 C ALA A 46 49.009 1.546 0.486 1.00 0.00 C ATOM 742 O ALA A 46 48.750 0.439 0.919 1.00 0.00 O ATOM 743 CB ALA A 46 51.366 2.374 0.800 1.00 0.00 C ATOM 0 H ALA A 46 50.379 1.217 2.895 1.00 0.00 H new ATOM 0 HA ALA A 46 49.506 3.505 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.436 2.635 -0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.995 3.047 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.703 1.347 0.943 1.00 0.00 H new ATOM 749 N ARG A 47 48.538 1.961 -0.664 1.00 0.00 N ATOM 750 CA ARG A 47 47.661 1.069 -1.477 1.00 0.00 C ATOM 751 C ARG A 47 48.449 0.499 -2.652 1.00 0.00 C ATOM 752 O ARG A 47 49.461 1.043 -3.051 1.00 0.00 O ATOM 753 CB ARG A 47 46.528 1.954 -1.985 1.00 0.00 C ATOM 754 CG ARG A 47 45.610 2.328 -0.826 1.00 0.00 C ATOM 755 CD ARG A 47 44.971 3.692 -1.101 1.00 0.00 C ATOM 756 NE ARG A 47 43.748 3.722 -0.252 1.00 0.00 N ATOM 757 CZ ARG A 47 42.572 3.568 -0.798 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.225 4.302 -1.819 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.743 2.679 -0.322 1.00 0.00 N ATOM 0 H ARG A 47 48.723 2.877 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 47 47.284 0.229 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.935 2.855 -2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.962 1.431 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.836 1.570 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.176 2.361 0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.650 4.505 -0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.722 3.806 -2.156 1.00 0.00 H new ATOM 0 HE ARG A 47 43.829 3.863 0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.873 4.997 -2.191 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.306 4.181 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.014 2.105 0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 47 40.824 2.559 -0.748 1.00 0.00 H new ATOM 773 N ASP A 48 47.991 -0.591 -3.204 1.00 0.00 N ATOM 774 CA ASP A 48 48.709 -1.206 -4.353 1.00 0.00 C ATOM 775 C ASP A 48 48.093 -0.748 -5.681 1.00 0.00 C ATOM 776 O ASP A 48 47.461 0.289 -5.754 1.00 0.00 O ATOM 777 CB ASP A 48 48.544 -2.718 -4.149 1.00 0.00 C ATOM 778 CG ASP A 48 47.063 -3.120 -4.236 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.217 -2.267 -4.020 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.803 -4.278 -4.520 1.00 0.00 O ATOM 0 H ASP A 48 47.148 -1.083 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 48 49.759 -0.917 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.117 -3.256 -4.904 1.00 0.00 H new ATOM 0 HB3 ASP A 48 48.947 -3.005 -3.178 1.00 0.00 H new ATOM 785 N LYS A 49 48.277 -1.514 -6.727 1.00 0.00 N ATOM 786 CA LYS A 49 47.709 -1.128 -8.055 1.00 0.00 C ATOM 787 C LYS A 49 46.343 -1.793 -8.271 1.00 0.00 C ATOM 788 O LYS A 49 45.909 -1.976 -9.392 1.00 0.00 O ATOM 789 CB LYS A 49 48.721 -1.639 -9.080 1.00 0.00 C ATOM 790 CG LYS A 49 49.783 -0.566 -9.326 1.00 0.00 C ATOM 791 CD LYS A 49 49.236 0.482 -10.296 1.00 0.00 C ATOM 792 CE LYS A 49 49.237 -0.086 -11.717 1.00 0.00 C ATOM 793 NZ LYS A 49 50.534 0.352 -12.304 1.00 0.00 N ATOM 0 H LYS A 49 48.797 -2.391 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 49 47.550 -0.053 -8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.190 -2.554 -8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.216 -1.887 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.063 -0.094 -8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.685 -1.020 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 49 48.224 0.766 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.845 1.385 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.154 -1.173 -11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.394 0.293 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 50.610 0.001 -13.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 50.581 1.391 -12.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 51.318 -0.029 -11.737 1.00 0.00 H new ATOM 807 N ASN A 50 45.667 -2.151 -7.208 1.00 0.00 N ATOM 808 CA ASN A 50 44.336 -2.797 -7.343 1.00 0.00 C ATOM 809 C ASN A 50 43.236 -1.857 -6.838 1.00 0.00 C ATOM 810 O ASN A 50 42.101 -1.931 -7.268 1.00 0.00 O ATOM 811 CB ASN A 50 44.413 -4.053 -6.474 1.00 0.00 C ATOM 812 CG ASN A 50 45.343 -5.073 -7.133 1.00 0.00 C ATOM 813 OD1 ASN A 50 44.894 -6.073 -7.657 1.00 0.00 O ATOM 814 ND2 ASN A 50 46.631 -4.862 -7.128 1.00 0.00 N ATOM 0 H ASN A 50 45.987 -2.020 -6.248 1.00 0.00 H new ATOM 0 HA ASN A 50 44.096 -3.035 -8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.781 -3.798 -5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.419 -4.481 -6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 50 47.260 -5.536 -7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 50 47.009 -4.023 -6.688 1.00 0.00 H new ATOM 821 N GLY A 51 43.569 -0.978 -5.927 1.00 0.00 N ATOM 822 CA GLY A 51 42.552 -0.029 -5.385 1.00 0.00 C ATOM 823 C GLY A 51 42.263 -0.365 -3.920 1.00 0.00 C ATOM 824 O GLY A 51 41.184 -0.110 -3.420 1.00 0.00 O ATOM 0 H GLY A 51 44.505 -0.877 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 51 42.915 0.995 -5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.635 -0.091 -5.970 1.00 0.00 H new ATOM 828 N GLN A 52 43.220 -0.938 -3.232 1.00 0.00 N ATOM 829 CA GLN A 52 43.009 -1.297 -1.801 1.00 0.00 C ATOM 830 C GLN A 52 44.192 -0.821 -0.953 1.00 0.00 C ATOM 831 O GLN A 52 45.315 -0.757 -1.420 1.00 0.00 O ATOM 832 CB GLN A 52 42.925 -2.821 -1.791 1.00 0.00 C ATOM 833 CG GLN A 52 41.470 -3.256 -1.969 1.00 0.00 C ATOM 834 CD GLN A 52 41.419 -4.750 -2.298 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.002 -5.190 -3.268 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.742 -5.553 -1.523 1.00 0.00 N ATOM 0 H GLN A 52 44.140 -1.172 -3.604 1.00 0.00 H new ATOM 0 HA GLN A 52 42.115 -0.832 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.539 -3.234 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.319 -3.211 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 52 40.905 -3.054 -1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.003 -2.681 -2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.252 -5.183 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.703 -6.551 -1.732 1.00 0.00 H new ATOM 845 N GLU A 53 43.947 -0.492 0.290 1.00 0.00 N ATOM 846 CA GLU A 53 45.051 -0.023 1.181 1.00 0.00 C ATOM 847 C GLU A 53 45.440 -1.132 2.163 1.00 0.00 C ATOM 848 O GLU A 53 44.629 -1.970 2.513 1.00 0.00 O ATOM 849 CB GLU A 53 44.486 1.192 1.930 1.00 0.00 C ATOM 850 CG GLU A 53 43.224 0.798 2.710 1.00 0.00 C ATOM 851 CD GLU A 53 43.184 1.560 4.036 1.00 0.00 C ATOM 852 OE1 GLU A 53 44.200 1.594 4.710 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.136 2.097 4.356 1.00 0.00 O ATOM 0 H GLU A 53 43.026 -0.528 0.728 1.00 0.00 H new ATOM 0 HA GLU A 53 45.949 0.236 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.237 1.587 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.251 1.987 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.335 1.024 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.219 -0.276 2.895 1.00 0.00 H new ATOM 860 N GLY A 54 46.671 -1.142 2.610 1.00 0.00 N ATOM 861 CA GLY A 54 47.107 -2.196 3.574 1.00 0.00 C ATOM 862 C GLY A 54 48.383 -1.735 4.273 1.00 0.00 C ATOM 863 O GLY A 54 48.615 -0.549 4.418 1.00 0.00 O ATOM 0 H GLY A 54 47.390 -0.468 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.323 -2.383 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.283 -3.135 3.050 1.00 0.00 H new ATOM 867 N TYR A 55 49.206 -2.653 4.722 1.00 0.00 N ATOM 868 CA TYR A 55 50.454 -2.240 5.426 1.00 0.00 C ATOM 869 C TYR A 55 51.712 -2.613 4.635 1.00 0.00 C ATOM 870 O TYR A 55 51.843 -3.706 4.122 1.00 0.00 O ATOM 871 CB TYR A 55 50.421 -2.967 6.770 1.00 0.00 C ATOM 872 CG TYR A 55 49.594 -2.171 7.752 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.204 -2.332 7.789 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.218 -1.273 8.625 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.438 -1.594 8.699 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.452 -0.535 9.535 1.00 0.00 C ATOM 877 CZ TYR A 55 48.062 -0.695 9.573 1.00 0.00 C ATOM 878 OH TYR A 55 47.307 0.032 10.470 1.00 0.00 O ATOM 0 H TYR A 55 49.067 -3.659 4.631 1.00 0.00 H new ATOM 0 HA TYR A 55 50.495 -1.157 5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 55 49.998 -3.964 6.646 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.434 -3.095 7.151 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.723 -3.026 7.116 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.291 -1.149 8.597 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.365 -1.718 8.727 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.934 0.158 10.208 1.00 0.00 H new ATOM 0 HH TYR A 55 47.895 0.607 11.002 1.00 0.00 H new ATOM 888 N ILE A 56 52.636 -1.687 4.538 1.00 0.00 N ATOM 889 CA ILE A 56 53.906 -1.931 3.779 1.00 0.00 C ATOM 890 C ILE A 56 55.141 -1.726 4.689 1.00 0.00 C ATOM 891 O ILE A 56 55.344 -0.629 5.167 1.00 0.00 O ATOM 892 CB ILE A 56 53.905 -0.843 2.689 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.649 -0.952 1.822 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.145 -0.991 1.807 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.544 -2.362 1.266 1.00 0.00 C ATOM 0 H ILE A 56 52.564 -0.760 4.958 1.00 0.00 H new ATOM 0 HA ILE A 56 53.956 -2.947 3.387 1.00 0.00 H new ATOM 0 HB ILE A 56 53.915 0.133 3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.764 -0.715 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.692 -0.230 1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.139 -0.219 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 56 56.041 -0.887 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.140 -1.973 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 56 51.650 -2.444 0.648 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.424 -2.581 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.482 -3.074 2.089 1.00 0.00 H new ATOM 907 N PRO A 57 55.963 -2.752 4.890 1.00 0.00 N ATOM 908 CA PRO A 57 57.174 -2.569 5.729 1.00 0.00 C ATOM 909 C PRO A 57 58.095 -1.530 5.071 1.00 0.00 C ATOM 910 O PRO A 57 58.361 -1.592 3.885 1.00 0.00 O ATOM 911 CB PRO A 57 57.809 -3.963 5.728 1.00 0.00 C ATOM 912 CG PRO A 57 56.937 -4.902 4.874 1.00 0.00 C ATOM 913 CD PRO A 57 55.747 -4.109 4.319 1.00 0.00 C ATOM 0 HA PRO A 57 56.973 -2.207 6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.821 -3.917 5.326 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.888 -4.343 6.747 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.524 -5.322 4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.584 -5.739 5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.744 -4.094 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.794 -4.534 4.635 1.00 0.00 H new ATOM 921 N SER A 58 58.558 -0.567 5.824 1.00 0.00 N ATOM 922 CA SER A 58 59.438 0.502 5.244 1.00 0.00 C ATOM 923 C SER A 58 60.646 -0.092 4.504 1.00 0.00 C ATOM 924 O SER A 58 60.895 0.227 3.355 1.00 0.00 O ATOM 925 CB SER A 58 59.908 1.324 6.444 1.00 0.00 C ATOM 926 OG SER A 58 60.365 0.446 7.464 1.00 0.00 O ATOM 0 H SER A 58 58.366 -0.471 6.821 1.00 0.00 H new ATOM 0 HA SER A 58 58.898 1.099 4.510 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.709 2.001 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 58 59.092 1.942 6.819 1.00 0.00 H new ATOM 0 HG SER A 58 60.669 0.970 8.235 1.00 0.00 H new ATOM 932 N ASN A 59 61.403 -0.929 5.159 1.00 0.00 N ATOM 933 CA ASN A 59 62.615 -1.527 4.507 1.00 0.00 C ATOM 934 C ASN A 59 62.235 -2.325 3.255 1.00 0.00 C ATOM 935 O ASN A 59 62.924 -2.294 2.252 1.00 0.00 O ATOM 936 CB ASN A 59 63.230 -2.437 5.585 1.00 0.00 C ATOM 937 CG ASN A 59 62.362 -3.680 5.828 1.00 0.00 C ATOM 938 OD1 ASN A 59 62.543 -4.696 5.186 1.00 0.00 O ATOM 939 ND2 ASN A 59 61.425 -3.640 6.735 1.00 0.00 N ATOM 0 H ASN A 59 61.238 -1.229 6.120 1.00 0.00 H new ATOM 0 HA ASN A 59 63.316 -0.765 4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 59 64.230 -2.744 5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.339 -1.880 6.515 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.845 -4.461 6.905 1.00 0.00 H new ATOM 0 HD22 ASN A 59 61.273 -2.787 7.274 1.00 0.00 H new ATOM 946 N TYR A 60 61.160 -3.052 3.326 1.00 0.00 N ATOM 947 CA TYR A 60 60.728 -3.888 2.161 1.00 0.00 C ATOM 948 C TYR A 60 60.461 -3.032 0.916 1.00 0.00 C ATOM 949 O TYR A 60 60.398 -3.551 -0.182 1.00 0.00 O ATOM 950 CB TYR A 60 59.440 -4.579 2.611 1.00 0.00 C ATOM 951 CG TYR A 60 59.768 -5.934 3.193 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.229 -6.038 4.510 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.612 -7.086 2.412 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.532 -7.294 5.048 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.916 -8.343 2.951 1.00 0.00 C ATOM 956 CZ TYR A 60 60.376 -8.446 4.269 1.00 0.00 C ATOM 957 OH TYR A 60 60.675 -9.684 4.800 1.00 0.00 O ATOM 0 H TYR A 60 60.553 -3.108 4.144 1.00 0.00 H new ATOM 0 HA TYR A 60 61.506 -4.598 1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.928 -3.967 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.761 -4.690 1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.351 -5.149 5.111 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.258 -7.005 1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.886 -7.374 6.065 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.795 -9.232 2.350 1.00 0.00 H new ATOM 0 HH TYR A 60 60.510 -10.377 4.127 1.00 0.00 H new ATOM 967 N VAL A 61 60.297 -1.739 1.065 1.00 0.00 N ATOM 968 CA VAL A 61 60.027 -0.886 -0.139 1.00 0.00 C ATOM 969 C VAL A 61 60.977 0.311 -0.201 1.00 0.00 C ATOM 970 O VAL A 61 61.484 0.775 0.802 1.00 0.00 O ATOM 971 CB VAL A 61 58.580 -0.403 0.007 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.635 -1.605 -0.022 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.409 0.350 1.332 1.00 0.00 C ATOM 0 H VAL A 61 60.337 -1.242 1.955 1.00 0.00 H new ATOM 0 HA VAL A 61 60.180 -1.453 -1.057 1.00 0.00 H new ATOM 0 HB VAL A 61 58.344 0.269 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.606 -1.261 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.747 -2.133 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.877 -2.278 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.378 0.690 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.650 -0.314 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.077 1.211 1.350 1.00 0.00 H new ATOM 983 N THR A 62 61.201 0.818 -1.384 1.00 0.00 N ATOM 984 CA THR A 62 62.096 1.998 -1.556 1.00 0.00 C ATOM 985 C THR A 62 61.346 3.075 -2.363 1.00 0.00 C ATOM 986 O THR A 62 60.172 3.295 -2.145 1.00 0.00 O ATOM 987 CB THR A 62 63.321 1.454 -2.307 1.00 0.00 C ATOM 988 OG1 THR A 62 64.250 2.509 -2.517 1.00 0.00 O ATOM 989 CG2 THR A 62 62.895 0.875 -3.658 1.00 0.00 C ATOM 0 H THR A 62 60.796 0.460 -2.249 1.00 0.00 H new ATOM 0 HA THR A 62 62.399 2.464 -0.619 1.00 0.00 H new ATOM 0 HB THR A 62 63.784 0.666 -1.713 1.00 0.00 H new ATOM 0 HG1 THR A 62 65.034 2.165 -2.994 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.771 0.492 -4.182 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.184 0.064 -3.499 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.426 1.656 -4.257 1.00 0.00 H new ATOM 997 N GLU A 63 61.994 3.742 -3.290 1.00 0.00 N ATOM 998 CA GLU A 63 61.285 4.784 -4.092 1.00 0.00 C ATOM 999 C GLU A 63 60.596 4.133 -5.294 1.00 0.00 C ATOM 1000 O GLU A 63 61.123 3.222 -5.898 1.00 0.00 O ATOM 1001 CB GLU A 63 62.376 5.753 -4.549 1.00 0.00 C ATOM 1002 CG GLU A 63 61.774 7.145 -4.749 1.00 0.00 C ATOM 1003 CD GLU A 63 62.893 8.187 -4.781 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.723 8.164 -3.887 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.902 8.989 -5.700 1.00 0.00 O ATOM 0 H GLU A 63 62.978 3.609 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 63 60.512 5.296 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.174 5.794 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.822 5.402 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.207 7.177 -5.679 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.076 7.370 -3.942 1.00 0.00 H new ATOM 1012 N ALA A 64 59.414 4.591 -5.634 1.00 0.00 N ATOM 1013 CA ALA A 64 58.655 3.999 -6.789 1.00 0.00 C ATOM 1014 C ALA A 64 59.550 3.826 -8.028 1.00 0.00 C ATOM 1015 O ALA A 64 59.315 2.968 -8.858 1.00 0.00 O ATOM 1016 CB ALA A 64 57.552 5.005 -7.091 1.00 0.00 C ATOM 0 H ALA A 64 58.936 5.356 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 64 58.274 3.008 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.950 4.646 -7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.918 5.125 -6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.997 5.965 -7.352 1.00 0.00 H new