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 -38:sc= 0.14 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= -0.12 K(o=-0.12,f=-0.65) USER MOD Single : A 23 ASN : amide:sc= -0.317 K(o=-0.32,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= -0.0123 K(o=-0.012,f=-1.2) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 65:sc= -1.66! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.813 K(o=-0.81,f=-5.3!) USER MOD Single : A 52 GLN : amide:sc= -0.503 K(o=-0.5,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 175:sc= -1.19 USER MOD Single : A 59 ASN : amide:sc= -1.86 K(o=-1.9,f=-6.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.294 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.262 7.548 -3.934 1.00 0.00 N ATOM 131 CA LYS A 10 55.057 6.073 -4.046 1.00 0.00 C ATOM 132 C LYS A 10 56.316 5.328 -3.594 1.00 0.00 C ATOM 133 O LYS A 10 57.264 5.926 -3.121 1.00 0.00 O ATOM 134 CB LYS A 10 54.781 5.823 -5.531 1.00 0.00 C ATOM 135 CG LYS A 10 53.331 6.207 -5.858 1.00 0.00 C ATOM 136 CD LYS A 10 53.290 6.992 -7.173 1.00 0.00 C ATOM 137 CE LYS A 10 54.020 8.325 -6.996 1.00 0.00 C ATOM 138 NZ LYS A 10 52.945 9.318 -6.716 1.00 0.00 N ATOM 0 HA LYS A 10 54.240 5.719 -3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.469 6.407 -6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.953 4.774 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.716 5.310 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.913 6.808 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.757 6.413 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.257 7.168 -7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.736 8.277 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.579 8.591 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.368 10.259 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 52.282 9.347 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 52.434 9.043 -5.853 1.00 0.00 H new ATOM 152 N VAL A 11 56.332 4.027 -3.738 1.00 0.00 N ATOM 153 CA VAL A 11 57.526 3.225 -3.320 1.00 0.00 C ATOM 154 C VAL A 11 57.579 1.922 -4.113 1.00 0.00 C ATOM 155 O VAL A 11 56.582 1.466 -4.635 1.00 0.00 O ATOM 156 CB VAL A 11 57.353 2.926 -1.823 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.572 4.207 -1.016 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.953 2.372 -1.544 1.00 0.00 C ATOM 0 H VAL A 11 55.565 3.481 -4.130 1.00 0.00 H new ATOM 0 HA VAL A 11 58.453 3.768 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 11 58.088 2.178 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.449 3.994 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.579 4.583 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.844 4.959 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.849 2.166 -0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.205 3.105 -1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.807 1.450 -2.108 1.00 0.00 H new ATOM 168 N VAL A 12 58.734 1.320 -4.199 1.00 0.00 N ATOM 169 CA VAL A 12 58.867 0.042 -4.955 1.00 0.00 C ATOM 170 C VAL A 12 58.788 -1.132 -3.954 1.00 0.00 C ATOM 171 O VAL A 12 58.680 -0.925 -2.763 1.00 0.00 O ATOM 172 CB VAL A 12 60.254 0.177 -5.651 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.115 -1.094 -5.553 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.045 0.500 -7.127 1.00 0.00 C ATOM 0 H VAL A 12 59.597 1.661 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 12 58.087 -0.149 -5.692 1.00 0.00 H new ATOM 0 HB VAL A 12 60.786 0.974 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.066 -0.929 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.298 -1.330 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.592 -1.925 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.013 0.596 -7.619 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.476 -0.302 -7.598 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.496 1.437 -7.220 1.00 0.00 H new ATOM 184 N ALA A 13 58.856 -2.349 -4.430 1.00 0.00 N ATOM 185 CA ALA A 13 58.802 -3.525 -3.510 1.00 0.00 C ATOM 186 C ALA A 13 60.086 -4.349 -3.641 1.00 0.00 C ATOM 187 O ALA A 13 60.595 -4.548 -4.728 1.00 0.00 O ATOM 188 CB ALA A 13 57.594 -4.338 -3.969 1.00 0.00 C ATOM 0 H ALA A 13 58.947 -2.580 -5.419 1.00 0.00 H new ATOM 0 HA ALA A 13 58.715 -3.229 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.489 -5.221 -3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.694 -3.728 -3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.735 -4.646 -5.005 1.00 0.00 H new ATOM 194 N LEU A 14 60.615 -4.823 -2.542 1.00 0.00 N ATOM 195 CA LEU A 14 61.872 -5.630 -2.597 1.00 0.00 C ATOM 196 C LEU A 14 61.566 -7.121 -2.435 1.00 0.00 C ATOM 197 O LEU A 14 62.261 -7.965 -2.970 1.00 0.00 O ATOM 198 CB LEU A 14 62.720 -5.128 -1.428 1.00 0.00 C ATOM 199 CG LEU A 14 63.042 -3.646 -1.628 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.460 -3.029 -0.292 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.185 -3.504 -2.634 1.00 0.00 C ATOM 0 H LEU A 14 60.230 -4.686 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 14 62.384 -5.518 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.185 -5.271 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.642 -5.705 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 14 62.159 -3.131 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.689 -1.973 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.646 -3.130 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.343 -3.544 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.415 -2.448 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.068 -4.020 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.888 -3.943 -3.587 1.00 0.00 H new ATOM 213 N TYR A 15 60.534 -7.451 -1.701 1.00 0.00 N ATOM 214 CA TYR A 15 60.184 -8.892 -1.501 1.00 0.00 C ATOM 215 C TYR A 15 58.665 -9.073 -1.457 1.00 0.00 C ATOM 216 O TYR A 15 57.914 -8.116 -1.443 1.00 0.00 O ATOM 217 CB TYR A 15 60.805 -9.277 -0.158 1.00 0.00 C ATOM 218 CG TYR A 15 62.304 -9.105 -0.222 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.064 -9.902 -1.086 1.00 0.00 C ATOM 220 CD2 TYR A 15 62.934 -8.148 0.583 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.453 -9.743 -1.145 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.323 -7.989 0.524 1.00 0.00 C ATOM 223 CZ TYR A 15 65.083 -8.786 -0.341 1.00 0.00 C ATOM 224 OH TYR A 15 66.453 -8.630 -0.399 1.00 0.00 O ATOM 0 H TYR A 15 59.919 -6.787 -1.232 1.00 0.00 H new ATOM 0 HA TYR A 15 60.555 -9.516 -2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.392 -8.655 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.558 -10.310 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.578 -10.640 -1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.348 -7.533 1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.039 -10.359 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.809 -7.252 1.146 1.00 0.00 H new ATOM 0 HH TYR A 15 66.728 -7.923 0.222 1.00 0.00 H new ATOM 234 N ASP A 16 58.213 -10.300 -1.435 1.00 0.00 N ATOM 235 CA ASP A 16 56.741 -10.566 -1.395 1.00 0.00 C ATOM 236 C ASP A 16 56.200 -10.389 0.027 1.00 0.00 C ATOM 237 O ASP A 16 56.934 -10.459 0.995 1.00 0.00 O ATOM 238 CB ASP A 16 56.587 -12.019 -1.848 1.00 0.00 C ATOM 239 CG ASP A 16 56.610 -12.084 -3.376 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.346 -11.314 -3.971 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.892 -12.903 -3.925 1.00 0.00 O ATOM 0 H ASP A 16 58.801 -11.133 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 16 56.185 -9.877 -2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.393 -12.627 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.651 -12.431 -1.470 1.00 0.00 H new ATOM 246 N TYR A 17 54.918 -10.154 0.153 1.00 0.00 N ATOM 247 CA TYR A 17 54.305 -9.964 1.501 1.00 0.00 C ATOM 248 C TYR A 17 52.776 -10.032 1.369 1.00 0.00 C ATOM 249 O TYR A 17 52.079 -9.058 1.576 1.00 0.00 O ATOM 250 CB TYR A 17 54.788 -8.573 1.943 1.00 0.00 C ATOM 251 CG TYR A 17 54.078 -8.122 3.202 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.361 -8.733 4.430 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.145 -7.081 3.140 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.710 -8.302 5.592 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.491 -6.651 4.300 1.00 0.00 C ATOM 256 CZ TYR A 17 52.774 -7.261 5.527 1.00 0.00 C ATOM 257 OH TYR A 17 52.133 -6.834 6.674 1.00 0.00 O ATOM 0 H TYR A 17 54.265 -10.085 -0.628 1.00 0.00 H new ATOM 0 HA TYR A 17 54.586 -10.725 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.864 -8.597 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.611 -7.853 1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.081 -9.536 4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 17 52.929 -6.608 2.194 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.929 -8.772 6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 17 51.769 -5.850 4.248 1.00 0.00 H new ATOM 0 HH TYR A 17 51.933 -7.606 7.243 1.00 0.00 H new ATOM 267 N MET A 18 52.261 -11.183 1.017 1.00 0.00 N ATOM 268 CA MET A 18 50.781 -11.336 0.856 1.00 0.00 C ATOM 269 C MET A 18 50.058 -11.022 2.177 1.00 0.00 C ATOM 270 O MET A 18 50.673 -11.039 3.224 1.00 0.00 O ATOM 271 CB MET A 18 50.566 -12.800 0.464 1.00 0.00 C ATOM 272 CG MET A 18 50.507 -12.918 -1.060 1.00 0.00 C ATOM 273 SD MET A 18 52.177 -13.163 -1.711 1.00 0.00 S ATOM 274 CE MET A 18 51.702 -14.010 -3.239 1.00 0.00 C ATOM 0 H MET A 18 52.803 -12.027 0.833 1.00 0.00 H new ATOM 0 HA MET A 18 50.382 -10.651 0.108 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.376 -13.415 0.856 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.641 -13.173 0.904 1.00 0.00 H new ATOM 0 HG2 MET A 18 49.867 -13.753 -1.346 1.00 0.00 H new ATOM 0 HG3 MET A 18 50.067 -12.018 -1.488 1.00 0.00 H new ATOM 0 HE1 MET A 18 52.596 -14.260 -3.810 1.00 0.00 H new ATOM 0 HE2 MET A 18 51.160 -14.924 -2.995 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.063 -13.357 -3.834 1.00 0.00 H new ATOM 284 N PRO A 19 48.769 -10.733 2.096 1.00 0.00 N ATOM 285 CA PRO A 19 47.994 -10.407 3.316 1.00 0.00 C ATOM 286 C PRO A 19 47.852 -11.638 4.218 1.00 0.00 C ATOM 287 O PRO A 19 47.821 -12.761 3.752 1.00 0.00 O ATOM 288 CB PRO A 19 46.633 -9.982 2.750 1.00 0.00 C ATOM 289 CG PRO A 19 46.683 -10.087 1.215 1.00 0.00 C ATOM 290 CD PRO A 19 48.020 -10.708 0.809 1.00 0.00 C ATOM 0 HA PRO A 19 48.462 -9.642 3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.843 -10.619 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.400 -8.961 3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 19 45.857 -10.698 0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.573 -9.100 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 19 47.893 -11.708 0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.532 -10.112 0.054 1.00 0.00 H new ATOM 298 N MET A 20 47.756 -11.425 5.505 1.00 0.00 N ATOM 299 CA MET A 20 47.604 -12.569 6.453 1.00 0.00 C ATOM 300 C MET A 20 46.166 -12.612 6.970 1.00 0.00 C ATOM 301 O MET A 20 45.525 -13.647 6.973 1.00 0.00 O ATOM 302 CB MET A 20 48.573 -12.274 7.599 1.00 0.00 C ATOM 303 CG MET A 20 50.003 -12.204 7.061 1.00 0.00 C ATOM 304 SD MET A 20 50.753 -13.850 7.113 1.00 0.00 S ATOM 305 CE MET A 20 52.276 -13.381 7.971 1.00 0.00 C ATOM 0 H MET A 20 47.776 -10.504 5.942 1.00 0.00 H new ATOM 0 HA MET A 20 47.816 -13.530 5.985 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.308 -11.332 8.078 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.498 -13.051 8.360 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.999 -11.827 6.038 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.592 -11.506 7.656 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.901 -14.263 8.111 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.816 -12.644 7.377 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.029 -12.953 8.943 1.00 0.00 H new ATOM 315 N ASN A 21 45.659 -11.486 7.401 1.00 0.00 N ATOM 316 CA ASN A 21 44.261 -11.433 7.918 1.00 0.00 C ATOM 317 C ASN A 21 43.431 -10.456 7.082 1.00 0.00 C ATOM 318 O ASN A 21 42.441 -10.823 6.479 1.00 0.00 O ATOM 319 CB ASN A 21 44.388 -10.935 9.358 1.00 0.00 C ATOM 320 CG ASN A 21 43.263 -11.532 10.206 1.00 0.00 C ATOM 321 OD1 ASN A 21 42.980 -12.711 10.119 1.00 0.00 O ATOM 322 ND2 ASN A 21 42.604 -10.762 11.028 1.00 0.00 N ATOM 0 H ASN A 21 46.157 -10.596 7.417 1.00 0.00 H new ATOM 0 HA ASN A 21 43.763 -12.401 7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.357 -11.219 9.768 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.338 -9.846 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.852 -11.149 11.597 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.841 -9.773 11.101 1.00 0.00 H new ATOM 329 N ALA A 22 43.836 -9.214 7.046 1.00 0.00 N ATOM 330 CA ALA A 22 43.086 -8.192 6.251 1.00 0.00 C ATOM 331 C ALA A 22 43.887 -6.891 6.171 1.00 0.00 C ATOM 332 O ALA A 22 43.938 -6.245 5.142 1.00 0.00 O ATOM 333 CB ALA A 22 41.779 -7.969 7.013 1.00 0.00 C ATOM 0 H ALA A 22 44.658 -8.860 7.535 1.00 0.00 H new ATOM 0 HA ALA A 22 42.908 -8.520 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.174 -7.229 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.230 -8.908 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.001 -7.610 8.018 1.00 0.00 H new ATOM 339 N ASN A 23 44.513 -6.505 7.253 1.00 0.00 N ATOM 340 CA ASN A 23 45.319 -5.244 7.253 1.00 0.00 C ATOM 341 C ASN A 23 46.429 -5.303 6.221 1.00 0.00 C ATOM 342 O ASN A 23 46.573 -4.427 5.392 1.00 0.00 O ATOM 343 CB ASN A 23 45.959 -5.161 8.631 1.00 0.00 C ATOM 344 CG ASN A 23 45.065 -4.351 9.572 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.608 -3.281 9.223 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.796 -4.819 10.760 1.00 0.00 N ATOM 0 H ASN A 23 44.502 -7.009 8.140 1.00 0.00 H new ATOM 0 HA ASN A 23 44.684 -4.389 7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.111 -6.163 9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.942 -4.695 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 23 44.202 -4.286 11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 23 45.180 -5.717 11.053 1.00 0.00 H new ATOM 353 N ASP A 24 47.244 -6.316 6.309 1.00 0.00 N ATOM 354 CA ASP A 24 48.406 -6.448 5.384 1.00 0.00 C ATOM 355 C ASP A 24 48.005 -6.209 3.920 1.00 0.00 C ATOM 356 O ASP A 24 46.919 -6.559 3.497 1.00 0.00 O ATOM 357 CB ASP A 24 48.911 -7.878 5.580 1.00 0.00 C ATOM 358 CG ASP A 24 49.563 -8.004 6.957 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.075 -7.375 7.882 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.539 -8.728 7.065 1.00 0.00 O ATOM 0 H ASP A 24 47.154 -7.069 6.991 1.00 0.00 H new ATOM 0 HA ASP A 24 49.171 -5.703 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.084 -8.582 5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.630 -8.131 4.801 1.00 0.00 H new ATOM 365 N LEU A 25 48.878 -5.603 3.156 1.00 0.00 N ATOM 366 CA LEU A 25 48.567 -5.323 1.724 1.00 0.00 C ATOM 367 C LEU A 25 49.241 -6.372 0.834 1.00 0.00 C ATOM 368 O LEU A 25 50.275 -6.913 1.176 1.00 0.00 O ATOM 369 CB LEU A 25 49.133 -3.919 1.457 1.00 0.00 C ATOM 370 CG LEU A 25 48.830 -3.515 0.008 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.345 -3.165 -0.127 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.665 -2.290 -0.375 1.00 0.00 C ATOM 0 H LEU A 25 49.798 -5.289 3.466 1.00 0.00 H new ATOM 0 HA LEU A 25 47.499 -5.366 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.692 -3.200 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.209 -3.909 1.632 1.00 0.00 H new ATOM 0 HG LEU A 25 49.077 -4.347 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.131 -2.878 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.741 -4.032 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.105 -2.336 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.446 -2.008 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.420 -1.461 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.725 -2.528 -0.282 1.00 0.00 H new ATOM 384 N GLN A 26 48.654 -6.672 -0.298 1.00 0.00 N ATOM 385 CA GLN A 26 49.249 -7.700 -1.207 1.00 0.00 C ATOM 386 C GLN A 26 50.446 -7.129 -1.967 1.00 0.00 C ATOM 387 O GLN A 26 50.344 -6.767 -3.124 1.00 0.00 O ATOM 388 CB GLN A 26 48.126 -8.075 -2.178 1.00 0.00 C ATOM 389 CG GLN A 26 48.419 -9.444 -2.793 1.00 0.00 C ATOM 390 CD GLN A 26 47.369 -9.760 -3.861 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.868 -8.870 -4.518 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.013 -10.999 -4.060 1.00 0.00 N ATOM 0 H GLN A 26 47.788 -6.249 -0.632 1.00 0.00 H new ATOM 0 HA GLN A 26 49.617 -8.563 -0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.170 -8.097 -1.654 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.043 -7.323 -2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.415 -9.450 -3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.408 -10.212 -2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.434 -11.746 -3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.313 -11.221 -4.768 1.00 0.00 H new ATOM 401 N LEU A 27 51.581 -7.056 -1.323 1.00 0.00 N ATOM 402 CA LEU A 27 52.798 -6.522 -1.996 1.00 0.00 C ATOM 403 C LEU A 27 53.435 -7.608 -2.874 1.00 0.00 C ATOM 404 O LEU A 27 52.833 -8.626 -3.153 1.00 0.00 O ATOM 405 CB LEU A 27 53.731 -6.117 -0.850 1.00 0.00 C ATOM 406 CG LEU A 27 53.468 -4.658 -0.472 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.570 -4.602 0.765 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.797 -3.958 -0.166 1.00 0.00 C ATOM 0 H LEU A 27 51.716 -7.345 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 27 52.581 -5.681 -2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.567 -6.763 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.771 -6.245 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 27 52.974 -4.155 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.384 -3.562 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.623 -5.096 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.063 -5.108 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.607 -2.919 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.292 -4.463 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.438 -3.994 -1.047 1.00 0.00 H new ATOM 420 N ARG A 28 54.647 -7.387 -3.315 1.00 0.00 N ATOM 421 CA ARG A 28 55.344 -8.383 -4.186 1.00 0.00 C ATOM 422 C ARG A 28 56.799 -7.949 -4.386 1.00 0.00 C ATOM 423 O ARG A 28 57.313 -7.134 -3.645 1.00 0.00 O ATOM 424 CB ARG A 28 54.583 -8.357 -5.520 1.00 0.00 C ATOM 425 CG ARG A 28 53.789 -9.655 -5.689 1.00 0.00 C ATOM 426 CD ARG A 28 54.622 -10.664 -6.485 1.00 0.00 C ATOM 427 NE ARG A 28 54.598 -10.160 -7.887 1.00 0.00 N ATOM 428 CZ ARG A 28 55.642 -10.316 -8.653 1.00 0.00 C ATOM 429 NH1 ARG A 28 55.904 -11.485 -9.169 1.00 0.00 N ATOM 430 NH2 ARG A 28 56.424 -9.302 -8.904 1.00 0.00 N ATOM 0 H ARG A 28 55.190 -6.549 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 28 55.356 -9.384 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.909 -7.501 -5.548 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.283 -8.238 -6.347 1.00 0.00 H new ATOM 0 HG2 ARG A 28 53.534 -10.068 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.850 -9.455 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 28 55.641 -10.723 -6.104 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.198 -11.666 -6.418 1.00 0.00 H new ATOM 0 HE ARG A 28 53.766 -9.693 -8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 28 55.292 -12.277 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 28 56.721 -11.607 -9.768 1.00 0.00 H new ATOM 0 HH21 ARG A 28 56.219 -8.388 -8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 28 57.241 -9.424 -9.503 1.00 0.00 H new ATOM 444 N LYS A 29 57.462 -8.482 -5.380 1.00 0.00 N ATOM 445 CA LYS A 29 58.879 -8.095 -5.624 1.00 0.00 C ATOM 446 C LYS A 29 59.019 -7.403 -6.982 1.00 0.00 C ATOM 447 O LYS A 29 58.673 -7.951 -8.012 1.00 0.00 O ATOM 448 CB LYS A 29 59.664 -9.408 -5.588 1.00 0.00 C ATOM 449 CG LYS A 29 61.155 -9.122 -5.790 1.00 0.00 C ATOM 450 CD LYS A 29 61.944 -10.429 -5.693 1.00 0.00 C ATOM 451 CE LYS A 29 63.439 -10.117 -5.583 1.00 0.00 C ATOM 452 NZ LYS A 29 64.110 -11.162 -6.404 1.00 0.00 N ATOM 0 H LYS A 29 57.081 -9.168 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 29 59.248 -7.388 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.506 -9.912 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.304 -10.080 -6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.318 -8.658 -6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.506 -8.416 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.616 -11.000 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.754 -11.047 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.662 -9.118 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.775 -10.153 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.139 -11.016 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.884 -12.102 -6.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.776 -11.099 -7.387 1.00 0.00 H new ATOM 466 N GLY A 30 59.519 -6.192 -6.980 1.00 0.00 N ATOM 467 CA GLY A 30 59.683 -5.437 -8.256 1.00 0.00 C ATOM 468 C GLY A 30 58.477 -4.519 -8.467 1.00 0.00 C ATOM 469 O GLY A 30 58.569 -3.514 -9.147 1.00 0.00 O ATOM 0 H GLY A 30 59.822 -5.693 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.600 -4.849 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.776 -6.131 -9.092 1.00 0.00 H new ATOM 473 N ASP A 31 57.349 -4.850 -7.884 1.00 0.00 N ATOM 474 CA ASP A 31 56.142 -3.992 -8.046 1.00 0.00 C ATOM 475 C ASP A 31 56.274 -2.754 -7.160 1.00 0.00 C ATOM 476 O ASP A 31 57.097 -2.716 -6.269 1.00 0.00 O ATOM 477 CB ASP A 31 54.965 -4.857 -7.592 1.00 0.00 C ATOM 478 CG ASP A 31 54.428 -5.654 -8.784 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.232 -6.091 -9.590 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.221 -5.812 -8.868 1.00 0.00 O ATOM 0 H ASP A 31 57.216 -5.678 -7.304 1.00 0.00 H new ATOM 0 HA ASP A 31 56.010 -3.647 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.283 -5.536 -6.800 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.177 -4.229 -7.176 1.00 0.00 H new ATOM 485 N GLU A 32 55.476 -1.745 -7.392 1.00 0.00 N ATOM 486 CA GLU A 32 55.565 -0.509 -6.550 1.00 0.00 C ATOM 487 C GLU A 32 54.167 -0.151 -6.041 1.00 0.00 C ATOM 488 O GLU A 32 53.177 -0.641 -6.552 1.00 0.00 O ATOM 489 CB GLU A 32 56.126 0.604 -7.456 1.00 0.00 C ATOM 490 CG GLU A 32 57.265 0.079 -8.344 1.00 0.00 C ATOM 491 CD GLU A 32 56.682 -0.491 -9.638 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.727 0.080 -10.138 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.200 -1.491 -10.108 1.00 0.00 O ATOM 0 H GLU A 32 54.767 -1.720 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 32 56.211 -0.648 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.328 1.003 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.491 1.427 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.964 0.884 -8.571 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.827 -0.691 -7.816 1.00 0.00 H new ATOM 500 N TYR A 33 54.074 0.659 -5.014 1.00 0.00 N ATOM 501 CA TYR A 33 52.733 0.996 -4.449 1.00 0.00 C ATOM 502 C TYR A 33 52.551 2.506 -4.294 1.00 0.00 C ATOM 503 O TYR A 33 53.357 3.299 -4.743 1.00 0.00 O ATOM 504 CB TYR A 33 52.708 0.345 -3.058 1.00 0.00 C ATOM 505 CG TYR A 33 53.302 -1.046 -3.108 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.544 -2.113 -3.593 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.621 -1.249 -2.693 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.103 -3.391 -3.659 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.183 -2.523 -2.765 1.00 0.00 C ATOM 510 CZ TYR A 33 54.425 -3.594 -3.246 1.00 0.00 C ATOM 511 OH TYR A 33 54.982 -4.848 -3.329 1.00 0.00 O ATOM 0 H TYR A 33 54.866 1.099 -4.545 1.00 0.00 H new ATOM 0 HA TYR A 33 51.937 0.643 -5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.268 0.960 -2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.682 0.295 -2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.527 -1.950 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.204 -0.421 -2.317 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.517 -4.220 -4.028 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.203 -2.682 -2.449 1.00 0.00 H new ATOM 0 HH TYR A 33 55.047 -5.115 -4.270 1.00 0.00 H new ATOM 521 N PHE A 34 51.493 2.889 -3.633 1.00 0.00 N ATOM 522 CA PHE A 34 51.216 4.334 -3.394 1.00 0.00 C ATOM 523 C PHE A 34 51.202 4.603 -1.892 1.00 0.00 C ATOM 524 O PHE A 34 50.507 3.941 -1.146 1.00 0.00 O ATOM 525 CB PHE A 34 49.837 4.584 -3.996 1.00 0.00 C ATOM 526 CG PHE A 34 49.992 5.009 -5.435 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.461 4.096 -6.388 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.673 6.317 -5.817 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.610 4.491 -7.722 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.823 6.713 -7.152 1.00 0.00 C ATOM 531 CZ PHE A 34 50.292 5.799 -8.104 1.00 0.00 C ATOM 0 H PHE A 34 50.798 2.252 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 34 51.969 4.985 -3.838 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.231 3.680 -3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.315 5.356 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.708 3.087 -6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.311 7.021 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.970 3.786 -8.457 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.577 7.722 -7.447 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.408 6.104 -9.134 1.00 0.00 H new ATOM 541 N ILE A 35 51.979 5.550 -1.442 1.00 0.00 N ATOM 542 CA ILE A 35 52.037 5.837 0.023 1.00 0.00 C ATOM 543 C ILE A 35 50.977 6.852 0.448 1.00 0.00 C ATOM 544 O ILE A 35 50.865 7.929 -0.107 1.00 0.00 O ATOM 545 CB ILE A 35 53.443 6.389 0.280 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.511 5.407 -0.234 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.643 6.605 1.781 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.309 4.025 0.397 1.00 0.00 C ATOM 0 H ILE A 35 52.576 6.138 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 35 51.837 4.936 0.602 1.00 0.00 H new ATOM 0 HB ILE A 35 53.546 7.336 -0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.453 5.331 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.506 5.782 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.644 6.998 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.902 7.316 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.526 5.656 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.071 3.340 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.391 4.104 1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.321 3.646 0.135 1.00 0.00 H new ATOM 560 N LEU A 36 50.213 6.505 1.447 1.00 0.00 N ATOM 561 CA LEU A 36 49.157 7.423 1.959 1.00 0.00 C ATOM 562 C LEU A 36 49.484 7.845 3.399 1.00 0.00 C ATOM 563 O LEU A 36 49.014 8.862 3.874 1.00 0.00 O ATOM 564 CB LEU A 36 47.862 6.603 1.927 1.00 0.00 C ATOM 565 CG LEU A 36 47.581 6.119 0.496 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.168 4.646 0.522 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.451 6.950 -0.118 1.00 0.00 C ATOM 0 H LEU A 36 50.277 5.612 1.937 1.00 0.00 H new ATOM 0 HA LEU A 36 49.077 8.333 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.946 5.749 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.029 7.209 2.285 1.00 0.00 H new ATOM 0 HG LEU A 36 48.484 6.234 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.969 4.306 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.972 4.050 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.268 4.531 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.255 6.604 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.549 6.839 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 36 46.744 8.000 -0.143 1.00 0.00 H new ATOM 579 N GLU A 37 50.284 7.069 4.097 1.00 0.00 N ATOM 580 CA GLU A 37 50.640 7.421 5.504 1.00 0.00 C ATOM 581 C GLU A 37 52.141 7.705 5.623 1.00 0.00 C ATOM 582 O GLU A 37 52.850 7.767 4.639 1.00 0.00 O ATOM 583 CB GLU A 37 50.261 6.188 6.327 1.00 0.00 C ATOM 584 CG GLU A 37 48.857 6.373 6.908 1.00 0.00 C ATOM 585 CD GLU A 37 48.927 7.294 8.128 1.00 0.00 C ATOM 586 OE1 GLU A 37 49.500 8.364 8.005 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.407 6.914 9.164 1.00 0.00 O ATOM 0 H GLU A 37 50.704 6.207 3.749 1.00 0.00 H new ATOM 0 HA GLU A 37 50.123 8.318 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 37 50.292 5.296 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.982 6.039 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 37 48.194 6.799 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.439 5.407 7.192 1.00 0.00 H new ATOM 653 N PRO A 42 58.234 1.684 10.543 1.00 0.00 N ATOM 654 CA PRO A 42 58.527 1.105 9.209 1.00 0.00 C ATOM 655 C PRO A 42 57.236 0.675 8.505 1.00 0.00 C ATOM 656 O PRO A 42 57.129 0.748 7.296 1.00 0.00 O ATOM 657 CB PRO A 42 59.392 -0.115 9.551 1.00 0.00 C ATOM 658 CG PRO A 42 59.556 -0.196 11.079 1.00 0.00 C ATOM 659 CD PRO A 42 58.855 1.004 11.714 1.00 0.00 C ATOM 0 HA PRO A 42 59.014 1.806 8.531 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.927 -1.025 9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.367 -0.032 9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.129 -1.125 11.456 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.613 -0.200 11.345 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.108 0.695 12.445 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.559 1.655 12.233 1.00 0.00 H new ATOM 667 N TRP A 43 56.259 0.222 9.250 1.00 0.00 N ATOM 668 CA TRP A 43 54.982 -0.224 8.618 1.00 0.00 C ATOM 669 C TRP A 43 54.132 0.994 8.251 1.00 0.00 C ATOM 670 O TRP A 43 53.944 1.897 9.045 1.00 0.00 O ATOM 671 CB TRP A 43 54.284 -1.071 9.683 1.00 0.00 C ATOM 672 CG TRP A 43 55.125 -2.256 10.020 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.015 -2.281 11.021 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.170 -3.573 9.392 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.613 -3.526 11.065 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.125 -4.360 10.079 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.486 -4.158 8.310 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.393 -5.678 9.707 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.753 -5.484 7.934 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.703 -6.243 8.632 1.00 0.00 C ATOM 0 H TRP A 43 56.291 0.142 10.266 1.00 0.00 H new ATOM 0 HA TRP A 43 55.145 -0.788 7.700 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.107 -0.473 10.577 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.309 -1.397 9.320 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.231 -1.459 11.687 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.327 -3.795 11.742 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.751 -3.583 7.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.128 -6.257 10.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.223 -5.922 7.101 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.901 -7.263 8.339 1.00 0.00 H new ATOM 691 N TRP A 44 53.639 1.029 7.044 1.00 0.00 N ATOM 692 CA TRP A 44 52.818 2.189 6.590 1.00 0.00 C ATOM 693 C TRP A 44 51.407 1.747 6.211 1.00 0.00 C ATOM 694 O TRP A 44 51.000 0.631 6.457 1.00 0.00 O ATOM 695 CB TRP A 44 53.529 2.679 5.324 1.00 0.00 C ATOM 696 CG TRP A 44 54.554 3.736 5.606 1.00 0.00 C ATOM 697 CD1 TRP A 44 54.850 4.291 6.807 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.412 4.382 4.637 1.00 0.00 C ATOM 699 NE1 TRP A 44 55.851 5.232 6.624 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.229 5.324 5.297 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.552 4.229 3.251 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.160 6.094 4.598 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.480 4.996 2.541 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.286 5.931 3.211 1.00 0.00 C ATOM 0 H TRP A 44 53.771 0.297 6.346 1.00 0.00 H new ATOM 0 HA TRP A 44 52.727 2.945 7.369 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.011 1.834 4.833 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.790 3.073 4.627 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.384 4.042 7.749 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.259 5.788 7.376 1.00 0.00 H new ATOM 0 HE3 TRP A 44 54.937 3.512 2.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 57.778 6.809 5.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.578 4.869 1.473 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.001 6.523 2.659 1.00 0.00 H new ATOM 715 N ARG A 45 50.683 2.624 5.572 1.00 0.00 N ATOM 716 CA ARG A 45 49.312 2.300 5.101 1.00 0.00 C ATOM 717 C ARG A 45 49.217 2.751 3.642 1.00 0.00 C ATOM 718 O ARG A 45 48.566 3.724 3.319 1.00 0.00 O ATOM 719 CB ARG A 45 48.369 3.111 5.992 1.00 0.00 C ATOM 720 CG ARG A 45 46.970 2.494 5.951 1.00 0.00 C ATOM 721 CD ARG A 45 45.983 3.418 6.668 1.00 0.00 C ATOM 722 NE ARG A 45 45.543 4.390 5.628 1.00 0.00 N ATOM 723 CZ ARG A 45 44.319 4.840 5.634 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.359 4.129 5.110 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.054 6.003 6.164 1.00 0.00 N ATOM 0 H ARG A 45 50.993 3.571 5.353 1.00 0.00 H new ATOM 0 HA ARG A 45 49.063 1.240 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.742 3.125 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.331 4.146 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.658 2.343 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.979 1.514 6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 45 45.138 2.858 7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.456 3.926 7.508 1.00 0.00 H new ATOM 0 HE ARG A 45 46.199 4.703 4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.565 3.220 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.402 4.482 5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.804 6.560 6.573 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.097 6.355 6.169 1.00 0.00 H new ATOM 739 N ALA A 46 49.905 2.061 2.769 1.00 0.00 N ATOM 740 CA ALA A 46 49.919 2.441 1.327 1.00 0.00 C ATOM 741 C ALA A 46 49.020 1.502 0.522 1.00 0.00 C ATOM 742 O ALA A 46 48.621 0.458 1.006 1.00 0.00 O ATOM 743 CB ALA A 46 51.391 2.287 0.910 1.00 0.00 C ATOM 0 H ALA A 46 50.465 1.240 2.999 1.00 0.00 H new ATOM 0 HA ALA A 46 49.544 3.449 1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.500 2.547 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.011 2.950 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.707 1.255 1.064 1.00 0.00 H new ATOM 749 N ARG A 47 48.699 1.859 -0.698 1.00 0.00 N ATOM 750 CA ARG A 47 47.827 0.972 -1.525 1.00 0.00 C ATOM 751 C ARG A 47 48.613 0.396 -2.699 1.00 0.00 C ATOM 752 O ARG A 47 49.622 0.938 -3.106 1.00 0.00 O ATOM 753 CB ARG A 47 46.707 1.860 -2.055 1.00 0.00 C ATOM 754 CG ARG A 47 45.758 2.231 -0.921 1.00 0.00 C ATOM 755 CD ARG A 47 45.037 3.537 -1.264 1.00 0.00 C ATOM 756 NE ARG A 47 44.005 3.157 -2.266 1.00 0.00 N ATOM 757 CZ ARG A 47 43.536 4.051 -3.093 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.818 5.042 -2.643 1.00 0.00 N ATOM 759 NH2 ARG A 47 43.789 3.954 -4.370 1.00 0.00 N ATOM 0 H ARG A 47 49.001 2.720 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 47 47.446 0.137 -0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.126 2.762 -2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.161 1.341 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.032 1.433 -0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.314 2.344 0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.582 3.981 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.729 4.275 -1.671 1.00 0.00 H new ATOM 0 HE ARG A 47 43.664 2.197 -2.307 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.623 5.118 -1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.451 5.741 -3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.353 3.180 -4.721 1.00 0.00 H new ATOM 0 HH22 ARG A 47 43.423 4.652 -5.017 1.00 0.00 H new ATOM 773 N ASP A 48 48.148 -0.692 -3.251 1.00 0.00 N ATOM 774 CA ASP A 48 48.853 -1.311 -4.406 1.00 0.00 C ATOM 775 C ASP A 48 48.142 -0.948 -5.717 1.00 0.00 C ATOM 776 O ASP A 48 47.431 0.035 -5.794 1.00 0.00 O ATOM 777 CB ASP A 48 48.793 -2.819 -4.136 1.00 0.00 C ATOM 778 CG ASP A 48 47.337 -3.294 -4.086 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.580 -2.747 -3.301 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.004 -4.198 -4.835 1.00 0.00 O ATOM 0 H ASP A 48 47.305 -1.180 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 48 49.881 -0.962 -4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.331 -3.357 -4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.289 -3.046 -3.192 1.00 0.00 H new ATOM 785 N LYS A 49 48.336 -1.734 -6.745 1.00 0.00 N ATOM 786 CA LYS A 49 47.682 -1.442 -8.055 1.00 0.00 C ATOM 787 C LYS A 49 46.186 -1.791 -8.016 1.00 0.00 C ATOM 788 O LYS A 49 45.432 -1.394 -8.886 1.00 0.00 O ATOM 789 CB LYS A 49 48.412 -2.331 -9.064 1.00 0.00 C ATOM 790 CG LYS A 49 47.891 -2.038 -10.467 1.00 0.00 C ATOM 791 CD LYS A 49 48.809 -2.689 -11.502 1.00 0.00 C ATOM 792 CE LYS A 49 50.027 -1.792 -11.740 1.00 0.00 C ATOM 793 NZ LYS A 49 50.412 -2.036 -13.158 1.00 0.00 N ATOM 0 H LYS A 49 48.922 -2.569 -6.733 1.00 0.00 H new ATOM 0 HA LYS A 49 47.744 -0.384 -8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.485 -2.148 -9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.257 -3.382 -8.819 1.00 0.00 H new ATOM 0 HG2 LYS A 49 46.876 -2.419 -10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 49 47.846 -0.961 -10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 49 49.130 -3.671 -11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.269 -2.843 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.784 -0.743 -11.572 1.00 0.00 H new ATOM 0 HE3 LYS A 49 50.842 -2.043 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 51.241 -1.456 -13.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 50.644 -3.042 -13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 49.620 -1.781 -13.782 1.00 0.00 H new ATOM 807 N ASN A 50 45.748 -2.532 -7.023 1.00 0.00 N ATOM 808 CA ASN A 50 44.308 -2.905 -6.940 1.00 0.00 C ATOM 809 C ASN A 50 43.499 -1.840 -6.184 1.00 0.00 C ATOM 810 O ASN A 50 42.368 -2.075 -5.803 1.00 0.00 O ATOM 811 CB ASN A 50 44.289 -4.230 -6.178 1.00 0.00 C ATOM 812 CG ASN A 50 44.996 -5.305 -7.004 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.855 -5.003 -7.810 1.00 0.00 O ATOM 814 ND2 ASN A 50 44.672 -6.558 -6.837 1.00 0.00 N ATOM 0 H ASN A 50 46.331 -2.892 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 50 43.856 -2.986 -7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.783 -4.114 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.261 -4.530 -5.975 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.139 -7.283 -7.382 1.00 0.00 H new ATOM 0 HD22 ASN A 50 43.952 -6.813 -6.161 1.00 0.00 H new ATOM 821 N GLY A 51 44.063 -0.674 -5.962 1.00 0.00 N ATOM 822 CA GLY A 51 43.318 0.396 -5.233 1.00 0.00 C ATOM 823 C GLY A 51 42.960 -0.085 -3.823 1.00 0.00 C ATOM 824 O GLY A 51 41.988 0.356 -3.239 1.00 0.00 O ATOM 0 H GLY A 51 45.006 -0.421 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.925 1.299 -5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.411 0.656 -5.779 1.00 0.00 H new ATOM 828 N GLN A 52 43.740 -0.984 -3.274 1.00 0.00 N ATOM 829 CA GLN A 52 43.450 -1.495 -1.900 1.00 0.00 C ATOM 830 C GLN A 52 44.556 -1.065 -0.934 1.00 0.00 C ATOM 831 O GLN A 52 45.728 -1.237 -1.208 1.00 0.00 O ATOM 832 CB GLN A 52 43.423 -3.017 -2.043 1.00 0.00 C ATOM 833 CG GLN A 52 41.999 -3.475 -2.370 1.00 0.00 C ATOM 834 CD GLN A 52 41.086 -3.198 -1.174 1.00 0.00 C ATOM 835 OE1 GLN A 52 40.456 -2.161 -1.103 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.987 -4.087 -0.225 1.00 0.00 N ATOM 0 H GLN A 52 44.565 -1.386 -3.719 1.00 0.00 H new ATOM 0 HA GLN A 52 42.512 -1.107 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.107 -3.331 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.764 -3.486 -1.120 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.630 -2.950 -3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.993 -4.539 -2.607 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.516 -4.957 -0.284 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.381 -3.912 0.577 1.00 0.00 H new ATOM 845 N GLU A 53 44.189 -0.506 0.192 1.00 0.00 N ATOM 846 CA GLU A 53 45.215 -0.056 1.184 1.00 0.00 C ATOM 847 C GLU A 53 45.482 -1.161 2.210 1.00 0.00 C ATOM 848 O GLU A 53 44.616 -1.967 2.498 1.00 0.00 O ATOM 849 CB GLU A 53 44.602 1.178 1.864 1.00 0.00 C ATOM 850 CG GLU A 53 43.294 0.797 2.581 1.00 0.00 C ATOM 851 CD GLU A 53 42.160 1.718 2.122 1.00 0.00 C ATOM 852 OE1 GLU A 53 41.573 1.434 1.091 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.898 2.692 2.810 1.00 0.00 O ATOM 0 H GLU A 53 43.221 -0.341 0.468 1.00 0.00 H new ATOM 0 HA GLU A 53 46.170 0.174 0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.309 1.596 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.406 1.951 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 53 43.040 -0.241 2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.424 0.876 3.660 1.00 0.00 H new ATOM 860 N GLY A 54 46.666 -1.199 2.772 1.00 0.00 N ATOM 861 CA GLY A 54 46.976 -2.250 3.788 1.00 0.00 C ATOM 862 C GLY A 54 48.232 -1.850 4.553 1.00 0.00 C ATOM 863 O GLY A 54 48.273 -0.806 5.174 1.00 0.00 O ATOM 0 H GLY A 54 47.427 -0.550 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.138 -2.367 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.124 -3.213 3.299 1.00 0.00 H new ATOM 867 N TYR A 55 49.259 -2.662 4.514 1.00 0.00 N ATOM 868 CA TYR A 55 50.509 -2.306 5.239 1.00 0.00 C ATOM 869 C TYR A 55 51.742 -2.534 4.360 1.00 0.00 C ATOM 870 O TYR A 55 51.839 -3.509 3.640 1.00 0.00 O ATOM 871 CB TYR A 55 50.545 -3.202 6.476 1.00 0.00 C ATOM 872 CG TYR A 55 49.781 -2.544 7.599 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.436 -1.665 8.470 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.419 -2.814 7.770 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.728 -1.054 9.511 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.710 -2.203 8.813 1.00 0.00 C ATOM 877 CZ TYR A 55 48.364 -1.324 9.683 1.00 0.00 C ATOM 878 OH TYR A 55 47.666 -0.723 10.710 1.00 0.00 O ATOM 0 H TYR A 55 49.283 -3.550 4.013 1.00 0.00 H new ATOM 0 HA TYR A 55 50.521 -1.251 5.511 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.109 -4.174 6.246 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.577 -3.379 6.779 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.488 -1.458 8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.914 -3.493 7.099 1.00 0.00 H new ATOM 0 HE1 TYR A 55 50.233 -0.375 10.182 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.658 -2.411 8.945 1.00 0.00 H new ATOM 0 HH TYR A 55 46.732 -1.018 10.687 1.00 0.00 H new ATOM 888 N ILE A 56 52.677 -1.621 4.414 1.00 0.00 N ATOM 889 CA ILE A 56 53.916 -1.737 3.587 1.00 0.00 C ATOM 890 C ILE A 56 55.157 -1.463 4.477 1.00 0.00 C ATOM 891 O ILE A 56 55.444 -0.316 4.760 1.00 0.00 O ATOM 892 CB ILE A 56 53.740 -0.643 2.509 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.813 -1.162 1.415 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.077 -0.266 1.867 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.357 -0.997 1.847 1.00 0.00 C ATOM 0 H ILE A 56 52.634 -0.790 5.003 1.00 0.00 H new ATOM 0 HA ILE A 56 54.063 -2.723 3.146 1.00 0.00 H new ATOM 0 HB ILE A 56 53.322 0.240 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.990 -0.618 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 56 53.025 -2.212 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.914 0.505 1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.755 0.111 2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.515 -1.146 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.700 -1.370 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.183 -1.561 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.148 0.058 2.025 1.00 0.00 H new ATOM 907 N PRO A 57 55.875 -2.501 4.888 1.00 0.00 N ATOM 908 CA PRO A 57 57.082 -2.286 5.726 1.00 0.00 C ATOM 909 C PRO A 57 58.104 -1.426 4.967 1.00 0.00 C ATOM 910 O PRO A 57 58.348 -1.629 3.793 1.00 0.00 O ATOM 911 CB PRO A 57 57.601 -3.710 5.949 1.00 0.00 C ATOM 912 CG PRO A 57 56.663 -4.700 5.235 1.00 0.00 C ATOM 913 CD PRO A 57 55.537 -3.912 4.554 1.00 0.00 C ATOM 0 HA PRO A 57 56.886 -1.759 6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.616 -3.806 5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.644 -3.933 7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.217 -5.280 4.497 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.248 -5.409 5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.519 -4.080 3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.556 -4.195 4.937 1.00 0.00 H new ATOM 921 N SER A 58 58.683 -0.457 5.629 1.00 0.00 N ATOM 922 CA SER A 58 59.675 0.442 4.956 1.00 0.00 C ATOM 923 C SER A 58 60.830 -0.361 4.353 1.00 0.00 C ATOM 924 O SER A 58 61.212 -0.151 3.218 1.00 0.00 O ATOM 925 CB SER A 58 60.192 1.365 6.060 1.00 0.00 C ATOM 926 OG SER A 58 60.968 0.608 6.980 1.00 0.00 O ATOM 0 H SER A 58 58.512 -0.247 6.612 1.00 0.00 H new ATOM 0 HA SER A 58 59.219 0.993 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.795 2.164 5.629 1.00 0.00 H new ATOM 0 HB3 SER A 58 59.356 1.839 6.575 1.00 0.00 H new ATOM 0 HG SER A 58 61.368 1.209 7.643 1.00 0.00 H new ATOM 932 N ASN A 59 61.394 -1.271 5.104 1.00 0.00 N ATOM 933 CA ASN A 59 62.536 -2.084 4.577 1.00 0.00 C ATOM 934 C ASN A 59 62.103 -2.870 3.336 1.00 0.00 C ATOM 935 O ASN A 59 62.844 -3.016 2.383 1.00 0.00 O ATOM 936 CB ASN A 59 62.914 -3.026 5.733 1.00 0.00 C ATOM 937 CG ASN A 59 61.825 -4.085 5.968 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.707 -3.758 6.312 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.112 -5.346 5.795 1.00 0.00 N ATOM 0 H ASN A 59 61.114 -1.488 6.061 1.00 0.00 H new ATOM 0 HA ASN A 59 63.381 -1.468 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.861 -3.518 5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.063 -2.446 6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.397 -6.057 5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.051 -5.620 5.506 1.00 0.00 H new ATOM 946 N TYR A 60 60.909 -3.383 3.366 1.00 0.00 N ATOM 947 CA TYR A 60 60.392 -4.185 2.213 1.00 0.00 C ATOM 948 C TYR A 60 60.266 -3.326 0.947 1.00 0.00 C ATOM 949 O TYR A 60 60.522 -3.794 -0.146 1.00 0.00 O ATOM 950 CB TYR A 60 59.014 -4.684 2.657 1.00 0.00 C ATOM 951 CG TYR A 60 59.118 -6.116 3.131 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.442 -6.389 4.465 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.892 -7.169 2.236 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.539 -7.714 4.905 1.00 0.00 C ATOM 955 CE2 TYR A 60 58.989 -8.494 2.675 1.00 0.00 C ATOM 956 CZ TYR A 60 59.312 -8.767 4.010 1.00 0.00 C ATOM 957 OH TYR A 60 59.408 -10.074 4.443 1.00 0.00 O ATOM 0 H TYR A 60 60.258 -3.283 4.145 1.00 0.00 H new ATOM 0 HA TYR A 60 61.068 -5.002 1.963 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.629 -4.053 3.458 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.308 -4.615 1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.617 -5.577 5.155 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.643 -6.958 1.206 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.789 -7.924 5.934 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.815 -9.306 1.984 1.00 0.00 H new ATOM 0 HH TYR A 60 59.220 -10.681 3.697 1.00 0.00 H new ATOM 967 N VAL A 61 59.862 -2.084 1.077 1.00 0.00 N ATOM 968 CA VAL A 61 59.710 -1.218 -0.139 1.00 0.00 C ATOM 969 C VAL A 61 60.770 -0.116 -0.179 1.00 0.00 C ATOM 970 O VAL A 61 61.486 0.115 0.774 1.00 0.00 O ATOM 971 CB VAL A 61 58.313 -0.596 -0.035 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.255 -1.700 -0.099 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.177 0.169 1.288 1.00 0.00 C ATOM 0 H VAL A 61 59.633 -1.635 1.963 1.00 0.00 H new ATOM 0 HA VAL A 61 59.835 -1.805 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 61 58.168 0.097 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.262 -1.257 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.344 -2.235 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.404 -2.396 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.181 0.608 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.327 -0.517 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.926 0.960 1.329 1.00 0.00 H new ATOM 983 N THR A 62 60.853 0.575 -1.287 1.00 0.00 N ATOM 984 CA THR A 62 61.840 1.684 -1.424 1.00 0.00 C ATOM 985 C THR A 62 61.185 2.837 -2.211 1.00 0.00 C ATOM 986 O THR A 62 60.059 3.196 -1.935 1.00 0.00 O ATOM 987 CB THR A 62 63.035 1.065 -2.167 1.00 0.00 C ATOM 988 OG1 THR A 62 64.049 2.047 -2.327 1.00 0.00 O ATOM 989 CG2 THR A 62 62.596 0.558 -3.542 1.00 0.00 C ATOM 0 H THR A 62 60.272 0.415 -2.110 1.00 0.00 H new ATOM 0 HA THR A 62 62.166 2.105 -0.473 1.00 0.00 H new ATOM 0 HB THR A 62 63.420 0.227 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.813 1.655 -2.799 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.451 0.122 -4.059 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.821 -0.198 -3.420 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.203 1.389 -4.128 1.00 0.00 H new ATOM 997 N GLU A 63 61.857 3.421 -3.179 1.00 0.00 N ATOM 998 CA GLU A 63 61.231 4.538 -3.953 1.00 0.00 C ATOM 999 C GLU A 63 60.507 3.986 -5.185 1.00 0.00 C ATOM 1000 O GLU A 63 60.994 3.097 -5.855 1.00 0.00 O ATOM 1001 CB GLU A 63 62.395 5.441 -4.367 1.00 0.00 C ATOM 1002 CG GLU A 63 62.003 6.910 -4.169 1.00 0.00 C ATOM 1003 CD GLU A 63 62.561 7.416 -2.836 1.00 0.00 C ATOM 1004 OE1 GLU A 63 62.199 6.856 -1.815 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.339 8.355 -2.861 1.00 0.00 O ATOM 0 H GLU A 63 62.805 3.173 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 63 60.489 5.081 -3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.279 5.207 -3.773 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.655 5.261 -5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.390 7.514 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 63 60.918 7.012 -4.183 1.00 0.00 H new ATOM 1012 N ALA A 64 59.340 4.507 -5.481 1.00 0.00 N ATOM 1013 CA ALA A 64 58.561 4.014 -6.665 1.00 0.00 C ATOM 1014 C ALA A 64 59.420 4.042 -7.937 1.00 0.00 C ATOM 1015 O ALA A 64 59.683 3.020 -8.542 1.00 0.00 O ATOM 1016 CB ALA A 64 57.379 4.976 -6.800 1.00 0.00 C ATOM 0 H ALA A 64 58.891 5.255 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 64 58.237 2.982 -6.530 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.762 4.678 -7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.781 4.948 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.750 5.988 -6.960 1.00 0.00 H new