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 -31:sc= -1.14 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 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.358 K(o=-0.36,f=-1.5) USER MOD Single : A 26 GLN : amide:sc= -0.671 X(o=-0.67,f=-0.67) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -15:sc= -3.44 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.898 K(o=-0.9,f=-1.5) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.393 USER MOD Single : A 59 ASN : amide:sc= -1.81 K(o=-1.8,f=-8.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.181 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.116 7.649 -4.053 1.00 0.00 N ATOM 131 CA LYS A 10 54.951 6.173 -4.205 1.00 0.00 C ATOM 132 C LYS A 10 56.221 5.449 -3.746 1.00 0.00 C ATOM 133 O LYS A 10 57.173 6.065 -3.306 1.00 0.00 O ATOM 134 CB LYS A 10 54.710 5.953 -5.700 1.00 0.00 C ATOM 135 CG LYS A 10 53.285 6.384 -6.061 1.00 0.00 C ATOM 136 CD LYS A 10 53.290 7.099 -7.415 1.00 0.00 C ATOM 137 CE LYS A 10 54.076 8.407 -7.300 1.00 0.00 C ATOM 138 NZ LYS A 10 53.594 9.246 -8.432 1.00 0.00 N ATOM 0 HA LYS A 10 54.131 5.783 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.432 6.525 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.858 4.903 -5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.630 5.513 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.889 7.046 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.739 6.459 -8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 10 52.268 7.304 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 10 53.894 8.894 -6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 10 55.149 8.230 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 54.088 10.161 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 53.787 8.760 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 52.570 9.403 -8.336 1.00 0.00 H new ATOM 152 N VAL A 11 56.240 4.144 -3.850 1.00 0.00 N ATOM 153 CA VAL A 11 57.443 3.361 -3.424 1.00 0.00 C ATOM 154 C VAL A 11 57.499 2.041 -4.189 1.00 0.00 C ATOM 155 O VAL A 11 56.507 1.581 -4.718 1.00 0.00 O ATOM 156 CB VAL A 11 57.291 3.099 -1.919 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.520 4.402 -1.154 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.895 2.546 -1.608 1.00 0.00 C ATOM 0 H VAL A 11 55.470 3.583 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 11 58.364 3.906 -3.631 1.00 0.00 H new ATOM 0 HB VAL A 11 58.029 2.359 -1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.413 4.220 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.524 4.773 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.787 5.144 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.805 2.366 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.140 3.268 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.746 1.610 -2.147 1.00 0.00 H new ATOM 168 N VAL A 12 58.653 1.435 -4.249 1.00 0.00 N ATOM 169 CA VAL A 12 58.795 0.148 -4.982 1.00 0.00 C ATOM 170 C VAL A 12 58.816 -1.010 -3.964 1.00 0.00 C ATOM 171 O VAL A 12 58.844 -0.790 -2.771 1.00 0.00 O ATOM 172 CB VAL A 12 60.144 0.312 -5.740 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.026 -0.945 -5.687 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.860 0.635 -7.201 1.00 0.00 C ATOM 0 H VAL A 12 59.510 1.781 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 12 57.982 -0.079 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 12 60.687 1.117 -5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.951 -0.764 -6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.259 -1.182 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.494 -1.782 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.802 0.751 -7.738 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.285 -0.176 -7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.290 1.562 -7.265 1.00 0.00 H new ATOM 184 N ALA A 13 58.837 -2.230 -4.437 1.00 0.00 N ATOM 185 CA ALA A 13 58.900 -3.399 -3.513 1.00 0.00 C ATOM 186 C ALA A 13 60.289 -4.045 -3.620 1.00 0.00 C ATOM 187 O ALA A 13 60.882 -4.070 -4.683 1.00 0.00 O ATOM 188 CB ALA A 13 57.816 -4.356 -4.004 1.00 0.00 C ATOM 0 H ALA A 13 58.813 -2.466 -5.429 1.00 0.00 H new ATOM 0 HA ALA A 13 58.743 -3.127 -2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.801 -5.244 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.846 -3.861 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 13 58.027 -4.647 -5.033 1.00 0.00 H new ATOM 194 N LEU A 14 60.820 -4.547 -2.533 1.00 0.00 N ATOM 195 CA LEU A 14 62.182 -5.168 -2.579 1.00 0.00 C ATOM 196 C LEU A 14 62.111 -6.679 -2.346 1.00 0.00 C ATOM 197 O LEU A 14 62.892 -7.434 -2.894 1.00 0.00 O ATOM 198 CB LEU A 14 62.965 -4.492 -1.453 1.00 0.00 C ATOM 199 CG LEU A 14 63.063 -2.989 -1.724 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.304 -2.248 -0.408 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.226 -2.719 -2.681 1.00 0.00 C ATOM 0 H LEU A 14 60.371 -4.554 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 14 62.652 -5.030 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.471 -4.668 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.963 -4.924 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 14 62.133 -2.639 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.374 -1.177 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.476 -2.441 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.234 -2.597 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.297 -1.649 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.156 -3.069 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.055 -3.247 -3.619 1.00 0.00 H new ATOM 213 N TYR A 15 61.188 -7.125 -1.536 1.00 0.00 N ATOM 214 CA TYR A 15 61.070 -8.590 -1.263 1.00 0.00 C ATOM 215 C TYR A 15 59.658 -9.075 -1.588 1.00 0.00 C ATOM 216 O TYR A 15 58.811 -8.306 -1.992 1.00 0.00 O ATOM 217 CB TYR A 15 61.361 -8.741 0.229 1.00 0.00 C ATOM 218 CG TYR A 15 62.819 -8.451 0.491 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.774 -9.461 0.324 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.216 -7.173 0.899 1.00 0.00 C ATOM 221 CE1 TYR A 15 65.126 -9.192 0.565 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.569 -6.904 1.141 1.00 0.00 C ATOM 223 CZ TYR A 15 65.524 -7.913 0.974 1.00 0.00 C ATOM 224 OH TYR A 15 66.857 -7.648 1.212 1.00 0.00 O ATOM 0 H TYR A 15 60.509 -6.539 -1.050 1.00 0.00 H new ATOM 0 HA TYR A 15 61.755 -9.180 -1.872 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.735 -8.058 0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 15 61.116 -9.751 0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.467 -10.448 0.009 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.479 -6.394 1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.863 -9.971 0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.875 -5.918 1.457 1.00 0.00 H new ATOM 0 HH TYR A 15 66.961 -6.713 1.487 1.00 0.00 H new ATOM 234 N ASP A 16 59.401 -10.346 -1.413 1.00 0.00 N ATOM 235 CA ASP A 16 58.041 -10.888 -1.711 1.00 0.00 C ATOM 236 C ASP A 16 57.231 -11.028 -0.420 1.00 0.00 C ATOM 237 O ASP A 16 57.666 -11.650 0.531 1.00 0.00 O ATOM 238 CB ASP A 16 58.286 -12.259 -2.336 1.00 0.00 C ATOM 239 CG ASP A 16 58.653 -12.091 -3.812 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.876 -11.484 -4.529 1.00 0.00 O ATOM 241 OD2 ASP A 16 59.706 -12.572 -4.198 1.00 0.00 O ATOM 0 H ASP A 16 60.075 -11.033 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 16 57.475 -10.233 -2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 16 59.089 -12.773 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 16 57.394 -12.878 -2.241 1.00 0.00 H new ATOM 246 N TYR A 17 56.057 -10.449 -0.380 1.00 0.00 N ATOM 247 CA TYR A 17 55.213 -10.539 0.843 1.00 0.00 C ATOM 248 C TYR A 17 53.741 -10.345 0.452 1.00 0.00 C ATOM 249 O TYR A 17 53.335 -9.278 0.032 1.00 0.00 O ATOM 250 CB TYR A 17 55.738 -9.406 1.737 1.00 0.00 C ATOM 251 CG TYR A 17 54.830 -9.178 2.927 1.00 0.00 C ATOM 252 CD1 TYR A 17 53.675 -8.401 2.785 1.00 0.00 C ATOM 253 CD2 TYR A 17 55.152 -9.731 4.171 1.00 0.00 C ATOM 254 CE1 TYR A 17 52.843 -8.175 3.885 1.00 0.00 C ATOM 255 CE2 TYR A 17 54.319 -9.507 5.272 1.00 0.00 C ATOM 256 CZ TYR A 17 53.165 -8.729 5.130 1.00 0.00 C ATOM 257 OH TYR A 17 52.346 -8.507 6.217 1.00 0.00 O ATOM 0 H TYR A 17 55.648 -9.916 -1.148 1.00 0.00 H new ATOM 0 HA TYR A 17 55.265 -11.499 1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.742 -9.650 2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.816 -8.488 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 17 53.426 -7.975 1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 17 56.043 -10.331 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 17 51.953 -7.574 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 17 54.567 -9.935 6.232 1.00 0.00 H new ATOM 0 HH TYR A 17 51.920 -7.629 6.132 1.00 0.00 H new ATOM 267 N MET A 18 52.950 -11.381 0.568 1.00 0.00 N ATOM 268 CA MET A 18 51.509 -11.282 0.190 1.00 0.00 C ATOM 269 C MET A 18 50.631 -11.097 1.438 1.00 0.00 C ATOM 270 O MET A 18 51.066 -11.382 2.536 1.00 0.00 O ATOM 271 CB MET A 18 51.190 -12.610 -0.496 1.00 0.00 C ATOM 272 CG MET A 18 51.454 -12.486 -1.998 1.00 0.00 C ATOM 273 SD MET A 18 53.201 -12.825 -2.333 1.00 0.00 S ATOM 274 CE MET A 18 53.030 -14.597 -2.659 1.00 0.00 C ATOM 0 H MET A 18 53.243 -12.296 0.910 1.00 0.00 H new ATOM 0 HA MET A 18 51.315 -10.427 -0.457 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.803 -13.406 -0.073 1.00 0.00 H new ATOM 0 HB3 MET A 18 50.149 -12.881 -0.320 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.825 -13.186 -2.548 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.194 -11.485 -2.343 1.00 0.00 H new ATOM 0 HE1 MET A 18 54.007 -15.020 -2.893 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.622 -15.091 -1.777 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.358 -14.748 -3.504 1.00 0.00 H new ATOM 284 N PRO A 19 49.414 -10.619 1.238 1.00 0.00 N ATOM 285 CA PRO A 19 48.494 -10.403 2.379 1.00 0.00 C ATOM 286 C PRO A 19 48.155 -11.729 3.065 1.00 0.00 C ATOM 287 O PRO A 19 48.058 -12.761 2.429 1.00 0.00 O ATOM 288 CB PRO A 19 47.257 -9.794 1.706 1.00 0.00 C ATOM 289 CG PRO A 19 47.521 -9.681 0.193 1.00 0.00 C ATOM 290 CD PRO A 19 48.895 -10.274 -0.113 1.00 0.00 C ATOM 0 HA PRO A 19 48.912 -9.770 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.382 -10.417 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.044 -8.811 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.749 -10.210 -0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.482 -8.638 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.823 -11.152 -0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.540 -9.558 -0.623 1.00 0.00 H new ATOM 298 N MET A 20 47.972 -11.702 4.360 1.00 0.00 N ATOM 299 CA MET A 20 47.633 -12.952 5.103 1.00 0.00 C ATOM 300 C MET A 20 46.130 -13.000 5.380 1.00 0.00 C ATOM 301 O MET A 20 45.461 -13.966 5.064 1.00 0.00 O ATOM 302 CB MET A 20 48.413 -12.858 6.416 1.00 0.00 C ATOM 303 CG MET A 20 49.914 -12.807 6.121 1.00 0.00 C ATOM 304 SD MET A 20 50.594 -14.485 6.127 1.00 0.00 S ATOM 305 CE MET A 20 51.079 -14.526 7.870 1.00 0.00 C ATOM 0 H MET A 20 48.043 -10.864 4.937 1.00 0.00 H new ATOM 0 HA MET A 20 47.888 -13.851 4.542 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.110 -11.968 6.967 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.186 -13.717 7.048 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.088 -12.337 5.153 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.421 -12.196 6.868 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.531 -15.491 8.099 1.00 0.00 H new ATOM 0 HE2 MET A 20 51.800 -13.732 8.066 1.00 0.00 H new ATOM 0 HE3 MET A 20 50.199 -14.379 8.496 1.00 0.00 H new ATOM 315 N ASN A 21 45.598 -11.959 5.969 1.00 0.00 N ATOM 316 CA ASN A 21 44.137 -11.927 6.273 1.00 0.00 C ATOM 317 C ASN A 21 43.452 -10.827 5.462 1.00 0.00 C ATOM 318 O ASN A 21 42.551 -11.085 4.685 1.00 0.00 O ATOM 319 CB ASN A 21 44.050 -11.624 7.769 1.00 0.00 C ATOM 320 CG ASN A 21 44.314 -12.902 8.566 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.400 -13.642 8.870 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.536 -13.196 8.920 1.00 0.00 N ATOM 0 H ASN A 21 46.116 -11.127 6.253 1.00 0.00 H new ATOM 0 HA ASN A 21 43.642 -12.864 6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.777 -10.858 8.038 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.065 -11.228 8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.722 -14.046 9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 21 46.304 -12.575 8.665 1.00 0.00 H new ATOM 329 N ALA A 22 43.874 -9.604 5.640 1.00 0.00 N ATOM 330 CA ALA A 22 43.256 -8.469 4.884 1.00 0.00 C ATOM 331 C ALA A 22 44.075 -7.188 5.072 1.00 0.00 C ATOM 332 O ALA A 22 44.249 -6.414 4.150 1.00 0.00 O ATOM 333 CB ALA A 22 41.860 -8.301 5.486 1.00 0.00 C ATOM 0 H ALA A 22 44.623 -9.338 6.279 1.00 0.00 H new ATOM 0 HA ALA A 22 43.220 -8.666 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.342 -7.485 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.295 -9.224 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.947 -8.075 6.549 1.00 0.00 H new ATOM 339 N ASN A 23 44.575 -6.963 6.259 1.00 0.00 N ATOM 340 CA ASN A 23 45.383 -5.730 6.517 1.00 0.00 C ATOM 341 C ASN A 23 46.602 -5.673 5.614 1.00 0.00 C ATOM 342 O ASN A 23 46.791 -4.739 4.866 1.00 0.00 O ATOM 343 CB ASN A 23 45.862 -5.843 7.957 1.00 0.00 C ATOM 344 CG ASN A 23 44.868 -5.150 8.891 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.369 -4.086 8.585 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.558 -5.714 10.027 1.00 0.00 N ATOM 0 H ASN A 23 44.459 -7.580 7.063 1.00 0.00 H new ATOM 0 HA ASN A 23 44.784 -4.838 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.965 -6.892 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.848 -5.389 8.059 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.897 -5.261 10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.977 -6.608 10.284 1.00 0.00 H new ATOM 353 N ASP A 24 47.453 -6.653 5.730 1.00 0.00 N ATOM 354 CA ASP A 24 48.716 -6.676 4.933 1.00 0.00 C ATOM 355 C ASP A 24 48.476 -6.324 3.453 1.00 0.00 C ATOM 356 O ASP A 24 47.514 -6.757 2.851 1.00 0.00 O ATOM 357 CB ASP A 24 49.238 -8.107 5.068 1.00 0.00 C ATOM 358 CG ASP A 24 49.631 -8.370 6.522 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.221 -7.489 7.124 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.336 -9.450 7.008 1.00 0.00 O ATOM 0 H ASP A 24 47.327 -7.452 6.352 1.00 0.00 H new ATOM 0 HA ASP A 24 49.425 -5.933 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.473 -8.816 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.098 -8.255 4.415 1.00 0.00 H new ATOM 365 N LEU A 25 49.351 -5.537 2.875 1.00 0.00 N ATOM 366 CA LEU A 25 49.190 -5.147 1.441 1.00 0.00 C ATOM 367 C LEU A 25 50.236 -5.872 0.589 1.00 0.00 C ATOM 368 O LEU A 25 51.288 -6.241 1.073 1.00 0.00 O ATOM 369 CB LEU A 25 49.417 -3.627 1.403 1.00 0.00 C ATOM 370 CG LEU A 25 48.851 -3.064 0.091 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.408 -2.596 0.306 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.699 -1.878 -0.379 1.00 0.00 C ATOM 0 H LEU A 25 50.172 -5.147 3.337 1.00 0.00 H new ATOM 0 HA LEU A 25 48.210 -5.413 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.931 -3.153 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.481 -3.404 1.479 1.00 0.00 H new ATOM 0 HG LEU A 25 48.873 -3.848 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.012 -2.198 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.797 -3.438 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.388 -1.819 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.291 -1.485 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.686 -1.097 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.725 -2.207 -0.543 1.00 0.00 H new ATOM 384 N GLN A 26 49.953 -6.084 -0.671 1.00 0.00 N ATOM 385 CA GLN A 26 50.934 -6.792 -1.556 1.00 0.00 C ATOM 386 C GLN A 26 52.255 -6.023 -1.613 1.00 0.00 C ATOM 387 O GLN A 26 52.301 -4.871 -1.996 1.00 0.00 O ATOM 388 CB GLN A 26 50.276 -6.830 -2.937 1.00 0.00 C ATOM 389 CG GLN A 26 50.832 -8.012 -3.734 1.00 0.00 C ATOM 390 CD GLN A 26 50.536 -7.809 -5.221 1.00 0.00 C ATOM 391 OE1 GLN A 26 49.567 -8.330 -5.737 1.00 0.00 O ATOM 392 NE2 GLN A 26 51.338 -7.069 -5.938 1.00 0.00 N ATOM 0 H GLN A 26 49.086 -5.799 -1.127 1.00 0.00 H new ATOM 0 HA GLN A 26 51.166 -7.792 -1.189 1.00 0.00 H new ATOM 0 HB2 GLN A 26 49.195 -6.923 -2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 26 50.466 -5.897 -3.468 1.00 0.00 H new ATOM 0 HG2 GLN A 26 51.907 -8.098 -3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 26 50.383 -8.942 -3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 26 52.151 -6.631 -5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 26 51.151 -6.928 -6.931 1.00 0.00 H new ATOM 401 N LEU A 27 53.327 -6.666 -1.237 1.00 0.00 N ATOM 402 CA LEU A 27 54.669 -6.008 -1.263 1.00 0.00 C ATOM 403 C LEU A 27 55.623 -6.818 -2.120 1.00 0.00 C ATOM 404 O LEU A 27 56.812 -6.875 -1.885 1.00 0.00 O ATOM 405 CB LEU A 27 55.097 -6.035 0.176 1.00 0.00 C ATOM 406 CG LEU A 27 54.408 -4.897 0.908 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.997 -5.366 2.307 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.368 -3.711 1.020 1.00 0.00 C ATOM 0 H LEU A 27 53.332 -7.632 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 27 54.653 -5.001 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.835 -6.991 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 27 56.180 -5.932 0.251 1.00 0.00 H new ATOM 0 HG LEU A 27 53.519 -4.590 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 27 53.502 -4.550 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 27 53.313 -6.210 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 27 54.883 -5.672 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.876 -2.893 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.257 -4.014 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.656 -3.380 0.022 1.00 0.00 H new ATOM 420 N ARG A 28 55.080 -7.449 -3.102 1.00 0.00 N ATOM 421 CA ARG A 28 55.895 -8.305 -4.023 1.00 0.00 C ATOM 422 C ARG A 28 57.016 -7.488 -4.676 1.00 0.00 C ATOM 423 O ARG A 28 56.774 -6.491 -5.329 1.00 0.00 O ATOM 424 CB ARG A 28 54.909 -8.799 -5.084 1.00 0.00 C ATOM 425 CG ARG A 28 54.339 -10.154 -4.660 1.00 0.00 C ATOM 426 CD ARG A 28 53.091 -10.465 -5.489 1.00 0.00 C ATOM 427 NE ARG A 28 53.577 -10.563 -6.893 1.00 0.00 N ATOM 428 CZ ARG A 28 53.613 -11.720 -7.493 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.520 -12.229 -7.995 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.740 -12.371 -7.591 1.00 0.00 N ATOM 0 H ARG A 28 54.085 -7.417 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 28 56.376 -9.127 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.102 -8.077 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.410 -8.889 -6.048 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.086 -10.935 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.089 -10.140 -3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.625 -11.396 -5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.342 -9.680 -5.384 1.00 0.00 H new ATOM 0 HE ARG A 28 53.882 -9.724 -7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.639 -11.721 -7.918 1.00 0.00 H new ATOM 0 HH12 ARG A 28 52.548 -13.134 -8.464 1.00 0.00 H new ATOM 0 HH21 ARG A 28 55.594 -11.975 -7.198 1.00 0.00 H new ATOM 0 HH22 ARG A 28 54.767 -13.276 -8.061 1.00 0.00 H new ATOM 444 N LYS A 29 58.244 -7.909 -4.490 1.00 0.00 N ATOM 445 CA LYS A 29 59.418 -7.173 -5.071 1.00 0.00 C ATOM 446 C LYS A 29 59.205 -6.836 -6.554 1.00 0.00 C ATOM 447 O LYS A 29 58.685 -7.626 -7.318 1.00 0.00 O ATOM 448 CB LYS A 29 60.606 -8.129 -4.899 1.00 0.00 C ATOM 449 CG LYS A 29 61.882 -7.482 -5.449 1.00 0.00 C ATOM 450 CD LYS A 29 63.025 -8.499 -5.418 1.00 0.00 C ATOM 451 CE LYS A 29 64.365 -7.765 -5.507 1.00 0.00 C ATOM 452 NZ LYS A 29 65.382 -8.842 -5.667 1.00 0.00 N ATOM 0 H LYS A 29 58.488 -8.742 -3.954 1.00 0.00 H new ATOM 0 HA LYS A 29 59.574 -6.217 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.737 -8.373 -3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.409 -9.065 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.716 -7.136 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.144 -6.607 -4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.980 -9.085 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.926 -9.199 -6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 29 64.383 -7.076 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.552 -7.175 -4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 66.329 -8.418 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 65.346 -9.478 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 65.182 -9.383 -6.532 1.00 0.00 H new ATOM 466 N GLY A 30 59.607 -5.654 -6.950 1.00 0.00 N ATOM 467 CA GLY A 30 59.442 -5.227 -8.370 1.00 0.00 C ATOM 468 C GLY A 30 58.155 -4.417 -8.509 1.00 0.00 C ATOM 469 O GLY A 30 58.066 -3.512 -9.317 1.00 0.00 O ATOM 0 H GLY A 30 60.046 -4.962 -6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.297 -4.628 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.408 -6.100 -9.022 1.00 0.00 H new ATOM 473 N ASP A 31 57.158 -4.731 -7.721 1.00 0.00 N ATOM 474 CA ASP A 31 55.879 -3.981 -7.794 1.00 0.00 C ATOM 475 C ASP A 31 55.969 -2.729 -6.925 1.00 0.00 C ATOM 476 O ASP A 31 56.475 -2.768 -5.818 1.00 0.00 O ATOM 477 CB ASP A 31 54.820 -4.942 -7.249 1.00 0.00 C ATOM 478 CG ASP A 31 54.684 -6.140 -8.191 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.689 -5.927 -9.392 1.00 0.00 O ATOM 480 OD2 ASP A 31 54.577 -7.249 -7.695 1.00 0.00 O ATOM 0 H ASP A 31 57.180 -5.479 -7.028 1.00 0.00 H new ATOM 0 HA ASP A 31 55.641 -3.656 -8.807 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.100 -5.280 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 31 53.863 -4.429 -7.155 1.00 0.00 H new ATOM 485 N GLU A 32 55.486 -1.619 -7.417 1.00 0.00 N ATOM 486 CA GLU A 32 55.542 -0.358 -6.617 1.00 0.00 C ATOM 487 C GLU A 32 54.125 -0.002 -6.173 1.00 0.00 C ATOM 488 O GLU A 32 53.159 -0.445 -6.768 1.00 0.00 O ATOM 489 CB GLU A 32 56.130 0.741 -7.531 1.00 0.00 C ATOM 490 CG GLU A 32 57.157 0.170 -8.524 1.00 0.00 C ATOM 491 CD GLU A 32 56.454 -0.198 -9.832 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.264 0.688 -10.650 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.119 -1.361 -9.994 1.00 0.00 O ATOM 0 H GLU A 32 55.055 -1.530 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 32 56.164 -0.465 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.324 1.226 -8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.604 1.508 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.941 0.903 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.640 -0.710 -8.098 1.00 0.00 H new ATOM 500 N TYR A 33 53.986 0.746 -5.108 1.00 0.00 N ATOM 501 CA TYR A 33 52.622 1.067 -4.601 1.00 0.00 C ATOM 502 C TYR A 33 52.451 2.569 -4.365 1.00 0.00 C ATOM 503 O TYR A 33 53.265 3.376 -4.769 1.00 0.00 O ATOM 504 CB TYR A 33 52.518 0.318 -3.266 1.00 0.00 C ATOM 505 CG TYR A 33 53.055 -1.093 -3.405 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.477 -1.972 -4.326 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.144 -1.505 -2.630 1.00 0.00 C ATOM 508 CE1 TYR A 33 52.987 -3.264 -4.473 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.652 -2.800 -2.773 1.00 0.00 C ATOM 510 CZ TYR A 33 54.075 -3.680 -3.696 1.00 0.00 C ATOM 511 OH TYR A 33 54.579 -4.956 -3.845 1.00 0.00 O ATOM 0 H TYR A 33 54.756 1.146 -4.571 1.00 0.00 H new ATOM 0 HA TYR A 33 51.853 0.776 -5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.077 0.852 -2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.478 0.287 -2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.636 -1.652 -4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.592 -0.824 -1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.542 -3.942 -5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.489 -3.121 -2.171 1.00 0.00 H new ATOM 0 HH TYR A 33 53.935 -5.506 -4.338 1.00 0.00 H new ATOM 521 N PHE A 34 51.386 2.934 -3.699 1.00 0.00 N ATOM 522 CA PHE A 34 51.125 4.375 -3.402 1.00 0.00 C ATOM 523 C PHE A 34 51.117 4.599 -1.891 1.00 0.00 C ATOM 524 O PHE A 34 50.395 3.944 -1.166 1.00 0.00 O ATOM 525 CB PHE A 34 49.748 4.661 -3.989 1.00 0.00 C ATOM 526 CG PHE A 34 49.899 5.129 -5.415 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.339 4.237 -6.401 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.605 6.456 -5.752 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.484 4.671 -7.724 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.749 6.890 -7.076 1.00 0.00 C ATOM 531 CZ PHE A 34 50.188 5.998 -8.061 1.00 0.00 C ATOM 0 H PHE A 34 50.679 2.289 -3.345 1.00 0.00 H new ATOM 0 HA PHE A 34 51.888 5.030 -3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.131 3.763 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.239 5.421 -3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.567 3.214 -6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.267 7.144 -4.991 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.824 3.983 -8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.521 7.913 -7.337 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.299 6.333 -9.082 1.00 0.00 H new ATOM 541 N ILE A 35 51.926 5.510 -1.414 1.00 0.00 N ATOM 542 CA ILE A 35 51.994 5.766 0.058 1.00 0.00 C ATOM 543 C ILE A 35 51.012 6.852 0.500 1.00 0.00 C ATOM 544 O ILE A 35 50.938 7.921 -0.073 1.00 0.00 O ATOM 545 CB ILE A 35 53.434 6.225 0.327 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.438 5.177 -0.175 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.638 6.435 1.831 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.185 3.823 0.498 1.00 0.00 C ATOM 0 H ILE A 35 52.544 6.090 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 35 51.726 4.868 0.615 1.00 0.00 H new ATOM 0 HB ILE A 35 53.602 7.162 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.353 5.073 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.455 5.509 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.661 6.761 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.944 7.195 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.454 5.499 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.906 3.093 0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.293 3.927 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.175 3.484 0.266 1.00 0.00 H new ATOM 560 N LEU A 36 50.291 6.578 1.551 1.00 0.00 N ATOM 561 CA LEU A 36 49.330 7.573 2.107 1.00 0.00 C ATOM 562 C LEU A 36 49.900 8.119 3.424 1.00 0.00 C ATOM 563 O LEU A 36 49.694 9.261 3.786 1.00 0.00 O ATOM 564 CB LEU A 36 48.047 6.779 2.364 1.00 0.00 C ATOM 565 CG LEU A 36 47.521 6.205 1.045 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.947 4.807 1.287 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.424 7.117 0.491 1.00 0.00 C ATOM 0 H LEU A 36 50.327 5.693 2.057 1.00 0.00 H new ATOM 0 HA LEU A 36 49.149 8.418 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.243 5.972 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.294 7.424 2.817 1.00 0.00 H new ATOM 0 HG LEU A 36 48.339 6.142 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.573 4.400 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.728 4.156 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.130 4.868 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.050 6.708 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.607 7.181 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 36 46.832 8.112 0.316 1.00 0.00 H new ATOM 579 N GLU A 37 50.631 7.293 4.127 1.00 0.00 N ATOM 580 CA GLU A 37 51.254 7.704 5.417 1.00 0.00 C ATOM 581 C GLU A 37 52.271 6.632 5.812 1.00 0.00 C ATOM 582 O GLU A 37 52.638 5.806 4.998 1.00 0.00 O ATOM 583 CB GLU A 37 50.103 7.761 6.422 1.00 0.00 C ATOM 584 CG GLU A 37 50.354 8.890 7.423 1.00 0.00 C ATOM 585 CD GLU A 37 49.695 8.545 8.760 1.00 0.00 C ATOM 586 OE1 GLU A 37 50.015 7.501 9.303 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.883 9.331 9.219 1.00 0.00 O ATOM 0 H GLU A 37 50.825 6.330 3.853 1.00 0.00 H new ATOM 0 HA GLU A 37 51.770 8.663 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.160 7.926 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.016 6.809 6.946 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.425 9.036 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.951 9.827 7.038 1.00 0.00 H new ATOM 653 N PRO A 42 57.580 0.925 11.051 1.00 0.00 N ATOM 654 CA PRO A 42 58.067 0.656 9.668 1.00 0.00 C ATOM 655 C PRO A 42 56.936 0.253 8.708 1.00 0.00 C ATOM 656 O PRO A 42 57.008 0.528 7.525 1.00 0.00 O ATOM 657 CB PRO A 42 59.069 -0.484 9.875 1.00 0.00 C ATOM 658 CG PRO A 42 59.136 -0.815 11.376 1.00 0.00 C ATOM 659 CD PRO A 42 58.310 0.225 12.145 1.00 0.00 C ATOM 0 HA PRO A 42 58.503 1.538 9.200 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.764 -1.363 9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.053 -0.193 9.508 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.748 -1.817 11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.170 -0.805 11.720 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.627 -0.242 12.855 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.943 0.907 12.713 1.00 0.00 H new ATOM 667 N TRP A 43 55.892 -0.370 9.196 1.00 0.00 N ATOM 668 CA TRP A 43 54.768 -0.755 8.287 1.00 0.00 C ATOM 669 C TRP A 43 53.917 0.488 8.022 1.00 0.00 C ATOM 670 O TRP A 43 53.530 1.178 8.947 1.00 0.00 O ATOM 671 CB TRP A 43 53.962 -1.801 9.056 1.00 0.00 C ATOM 672 CG TRP A 43 54.789 -3.018 9.293 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.695 -3.134 10.273 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.791 -4.286 8.573 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.270 -4.390 10.211 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.745 -5.139 9.177 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.072 -4.773 7.467 1.00 0.00 C ATOM 678 CZ2 TRP A 43 55.975 -6.432 8.703 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.300 -6.073 6.988 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.250 -6.901 7.604 1.00 0.00 C ATOM 0 H TRP A 43 55.769 -0.627 10.175 1.00 0.00 H new ATOM 0 HA TRP A 43 55.108 -1.149 7.329 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.630 -1.387 10.008 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.066 -2.065 8.494 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.937 -2.369 10.996 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.992 -4.722 10.850 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.340 -4.143 6.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.707 -7.065 9.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 53.740 -6.438 6.140 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.421 -7.899 7.230 1.00 0.00 H new ATOM 691 N TRP A 44 53.636 0.800 6.777 1.00 0.00 N ATOM 692 CA TRP A 44 52.830 2.021 6.488 1.00 0.00 C ATOM 693 C TRP A 44 51.405 1.633 6.101 1.00 0.00 C ATOM 694 O TRP A 44 50.957 0.541 6.364 1.00 0.00 O ATOM 695 CB TRP A 44 53.522 2.677 5.290 1.00 0.00 C ATOM 696 CG TRP A 44 54.968 2.952 5.555 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.544 3.173 6.763 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.026 3.050 4.574 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.898 3.403 6.572 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.241 3.335 5.233 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.035 2.915 3.181 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.434 3.485 4.523 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.224 3.062 2.461 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.426 3.348 3.128 1.00 0.00 C ATOM 0 H TRP A 44 53.929 0.265 5.959 1.00 0.00 H new ATOM 0 HA TRP A 44 52.769 2.682 7.352 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.431 2.028 4.419 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.015 3.610 5.046 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.033 3.170 7.715 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.559 3.598 7.324 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.116 2.695 2.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.354 3.705 5.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.218 2.955 1.386 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.342 3.462 2.568 1.00 0.00 H new ATOM 715 N ARG A 45 50.710 2.522 5.447 1.00 0.00 N ATOM 716 CA ARG A 45 49.331 2.228 4.985 1.00 0.00 C ATOM 717 C ARG A 45 49.243 2.670 3.525 1.00 0.00 C ATOM 718 O ARG A 45 48.565 3.621 3.186 1.00 0.00 O ATOM 719 CB ARG A 45 48.410 3.065 5.875 1.00 0.00 C ATOM 720 CG ARG A 45 46.951 2.750 5.539 1.00 0.00 C ATOM 721 CD ARG A 45 46.044 3.822 6.146 1.00 0.00 C ATOM 722 NE ARG A 45 44.850 3.080 6.640 1.00 0.00 N ATOM 723 CZ ARG A 45 44.116 3.586 7.594 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.747 4.837 7.542 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.751 2.840 8.601 1.00 0.00 N ATOM 0 H ARG A 45 51.048 3.455 5.211 1.00 0.00 H new ATOM 0 HA ARG A 45 49.056 1.175 5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.607 2.849 6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.608 4.126 5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.815 2.714 4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.681 1.768 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.545 4.350 6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.765 4.570 5.404 1.00 0.00 H new ATOM 0 HE ARG A 45 44.606 2.177 6.233 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.032 5.421 6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.174 5.231 8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.039 1.862 8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.178 3.235 9.347 1.00 0.00 H new ATOM 739 N ALA A 46 49.965 1.997 2.670 1.00 0.00 N ATOM 740 CA ALA A 46 49.988 2.370 1.227 1.00 0.00 C ATOM 741 C ALA A 46 49.050 1.466 0.431 1.00 0.00 C ATOM 742 O ALA A 46 48.733 0.369 0.851 1.00 0.00 O ATOM 743 CB ALA A 46 51.448 2.143 0.797 1.00 0.00 C ATOM 0 H ALA A 46 50.547 1.195 2.913 1.00 0.00 H new ATOM 0 HA ALA A 46 49.658 3.394 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.560 2.394 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.105 2.777 1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.715 1.097 0.952 1.00 0.00 H new ATOM 749 N ARG A 47 48.611 1.915 -0.717 1.00 0.00 N ATOM 750 CA ARG A 47 47.704 1.071 -1.545 1.00 0.00 C ATOM 751 C ARG A 47 48.477 0.477 -2.713 1.00 0.00 C ATOM 752 O ARG A 47 49.427 1.062 -3.198 1.00 0.00 O ATOM 753 CB ARG A 47 46.619 2.006 -2.061 1.00 0.00 C ATOM 754 CG ARG A 47 45.653 2.343 -0.930 1.00 0.00 C ATOM 755 CD ARG A 47 44.877 3.614 -1.279 1.00 0.00 C ATOM 756 NE ARG A 47 43.764 3.154 -2.155 1.00 0.00 N ATOM 757 CZ ARG A 47 42.587 3.709 -2.061 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.482 5.008 -1.979 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.515 2.967 -2.047 1.00 0.00 N ATOM 0 H ARG A 47 48.841 2.826 -1.114 1.00 0.00 H new ATOM 0 HA ARG A 47 47.282 0.247 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.068 2.919 -2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.081 1.536 -2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.962 1.515 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.202 2.484 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.498 4.104 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.512 4.336 -1.793 1.00 0.00 H new ATOM 0 HE ARG A 47 43.922 2.405 -2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.320 5.589 -1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.562 5.442 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.596 1.952 -2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 47 40.595 3.401 -1.973 1.00 0.00 H new ATOM 773 N ASP A 48 48.080 -0.679 -3.166 1.00 0.00 N ATOM 774 CA ASP A 48 48.792 -1.320 -4.305 1.00 0.00 C ATOM 775 C ASP A 48 48.234 -0.813 -5.641 1.00 0.00 C ATOM 776 O ASP A 48 47.679 0.266 -5.720 1.00 0.00 O ATOM 777 CB ASP A 48 48.548 -2.823 -4.124 1.00 0.00 C ATOM 778 CG ASP A 48 47.053 -3.150 -4.261 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.244 -2.268 -4.023 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.745 -4.280 -4.603 1.00 0.00 O ATOM 0 H ASP A 48 47.291 -1.209 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 48 49.857 -1.087 -4.318 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.117 -3.381 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 48 48.906 -3.139 -3.144 1.00 0.00 H new ATOM 785 N LYS A 49 48.381 -1.585 -6.689 1.00 0.00 N ATOM 786 CA LYS A 49 47.864 -1.152 -8.024 1.00 0.00 C ATOM 787 C LYS A 49 46.443 -1.682 -8.256 1.00 0.00 C ATOM 788 O LYS A 49 45.988 -1.776 -9.381 1.00 0.00 O ATOM 789 CB LYS A 49 48.833 -1.763 -9.038 1.00 0.00 C ATOM 790 CG LYS A 49 49.953 -0.765 -9.338 1.00 0.00 C ATOM 791 CD LYS A 49 50.405 -0.926 -10.791 1.00 0.00 C ATOM 792 CE LYS A 49 49.319 -0.389 -11.726 1.00 0.00 C ATOM 793 NZ LYS A 49 50.051 0.077 -12.938 1.00 0.00 N ATOM 0 H LYS A 49 48.837 -2.497 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 49 47.809 -0.067 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.252 -2.689 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.303 -2.018 -9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.603 0.253 -9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.793 -0.932 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 49 51.339 -0.388 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.600 -1.976 -11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 49 48.594 -1.164 -11.976 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.765 0.427 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 49.373 0.460 -13.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 50.729 0.819 -12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 50.563 -0.722 -13.363 1.00 0.00 H new ATOM 807 N ASN A 50 45.741 -2.025 -7.204 1.00 0.00 N ATOM 808 CA ASN A 50 44.355 -2.541 -7.358 1.00 0.00 C ATOM 809 C ASN A 50 43.348 -1.537 -6.790 1.00 0.00 C ATOM 810 O ASN A 50 42.207 -1.485 -7.211 1.00 0.00 O ATOM 811 CB ASN A 50 44.324 -3.844 -6.558 1.00 0.00 C ATOM 812 CG ASN A 50 45.238 -4.875 -7.225 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.433 -4.845 -8.424 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.810 -5.792 -6.494 1.00 0.00 N ATOM 0 H ASN A 50 46.075 -1.968 -6.242 1.00 0.00 H new ATOM 0 HA ASN A 50 44.089 -2.699 -8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.650 -3.662 -5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.305 -4.226 -6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.421 -6.483 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 50 45.646 -5.817 -5.488 1.00 0.00 H new ATOM 821 N GLY A 51 43.764 -0.741 -5.837 1.00 0.00 N ATOM 822 CA GLY A 51 42.840 0.263 -5.233 1.00 0.00 C ATOM 823 C GLY A 51 42.520 -0.139 -3.792 1.00 0.00 C ATOM 824 O GLY A 51 41.463 0.169 -3.275 1.00 0.00 O ATOM 0 H GLY A 51 44.708 -0.745 -5.451 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.298 1.252 -5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.922 0.325 -5.817 1.00 0.00 H new ATOM 828 N GLN A 52 43.425 -0.829 -3.142 1.00 0.00 N ATOM 829 CA GLN A 52 43.181 -1.259 -1.737 1.00 0.00 C ATOM 830 C GLN A 52 44.375 -0.888 -0.851 1.00 0.00 C ATOM 831 O GLN A 52 45.518 -1.084 -1.221 1.00 0.00 O ATOM 832 CB GLN A 52 43.025 -2.776 -1.817 1.00 0.00 C ATOM 833 CG GLN A 52 41.552 -3.129 -2.032 1.00 0.00 C ATOM 834 CD GLN A 52 41.328 -4.606 -1.707 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.235 -5.408 -1.808 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.147 -5.003 -1.315 1.00 0.00 N ATOM 0 H GLN A 52 44.325 -1.112 -3.529 1.00 0.00 H new ATOM 0 HA GLN A 52 42.305 -0.777 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.627 -3.171 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.390 -3.238 -0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 52 40.922 -2.506 -1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.265 -2.925 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 52 39.385 -4.330 -1.230 1.00 0.00 H new ATOM 0 HE22 GLN A 52 39.987 -5.986 -1.094 1.00 0.00 H new ATOM 845 N GLU A 53 44.112 -0.358 0.317 1.00 0.00 N ATOM 846 CA GLU A 53 45.223 0.027 1.242 1.00 0.00 C ATOM 847 C GLU A 53 45.496 -1.111 2.229 1.00 0.00 C ATOM 848 O GLU A 53 44.617 -1.897 2.531 1.00 0.00 O ATOM 849 CB GLU A 53 44.726 1.279 1.983 1.00 0.00 C ATOM 850 CG GLU A 53 43.424 0.973 2.738 1.00 0.00 C ATOM 851 CD GLU A 53 43.450 1.654 4.108 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.951 1.046 5.040 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.967 2.770 4.201 1.00 0.00 O ATOM 0 H GLU A 53 43.173 -0.175 0.671 1.00 0.00 H new ATOM 0 HA GLU A 53 46.154 0.222 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.488 1.621 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.560 2.088 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.567 1.324 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.307 -0.104 2.859 1.00 0.00 H new ATOM 860 N GLY A 54 46.702 -1.206 2.736 1.00 0.00 N ATOM 861 CA GLY A 54 47.012 -2.299 3.706 1.00 0.00 C ATOM 862 C GLY A 54 48.229 -1.912 4.542 1.00 0.00 C ATOM 863 O GLY A 54 48.266 -0.846 5.122 1.00 0.00 O ATOM 0 H GLY A 54 47.478 -0.579 2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.154 -2.477 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.206 -3.229 3.172 1.00 0.00 H new ATOM 867 N TYR A 55 49.223 -2.765 4.614 1.00 0.00 N ATOM 868 CA TYR A 55 50.432 -2.426 5.418 1.00 0.00 C ATOM 869 C TYR A 55 51.704 -2.575 4.574 1.00 0.00 C ATOM 870 O TYR A 55 51.785 -3.423 3.711 1.00 0.00 O ATOM 871 CB TYR A 55 50.434 -3.404 6.592 1.00 0.00 C ATOM 872 CG TYR A 55 49.548 -2.872 7.693 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.079 -2.022 8.671 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.194 -3.227 7.734 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.257 -1.529 9.691 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.373 -2.734 8.755 1.00 0.00 C ATOM 877 CZ TYR A 55 47.903 -1.885 9.732 1.00 0.00 C ATOM 878 OH TYR A 55 47.093 -1.399 10.738 1.00 0.00 O ATOM 0 H TYR A 55 49.247 -3.675 4.153 1.00 0.00 H new ATOM 0 HA TYR A 55 50.411 -1.392 5.762 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.079 -4.381 6.265 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.450 -3.542 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.123 -1.747 8.638 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.784 -3.881 6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 55 49.667 -0.874 10.446 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.329 -3.009 8.788 1.00 0.00 H new ATOM 0 HH TYR A 55 46.182 -1.741 10.619 1.00 0.00 H new ATOM 888 N ILE A 56 52.688 -1.733 4.809 1.00 0.00 N ATOM 889 CA ILE A 56 53.955 -1.791 4.004 1.00 0.00 C ATOM 890 C ILE A 56 55.206 -1.565 4.885 1.00 0.00 C ATOM 891 O ILE A 56 55.453 -0.443 5.285 1.00 0.00 O ATOM 892 CB ILE A 56 53.817 -0.622 3.015 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.597 -0.843 2.111 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.089 -0.479 2.156 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.787 -2.108 1.280 1.00 0.00 C ATOM 0 H ILE A 56 52.668 -1.007 5.525 1.00 0.00 H new ATOM 0 HA ILE A 56 54.083 -2.763 3.528 1.00 0.00 H new ATOM 0 HB ILE A 56 53.681 0.297 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.695 -0.928 2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.460 0.016 1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.969 0.354 1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.946 -0.292 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.253 -1.398 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 56 51.917 -2.258 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 56 53.678 -2.006 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.902 -2.965 1.943 1.00 0.00 H new ATOM 907 N PRO A 57 55.998 -2.602 5.129 1.00 0.00 N ATOM 908 CA PRO A 57 57.237 -2.413 5.922 1.00 0.00 C ATOM 909 C PRO A 57 58.180 -1.467 5.164 1.00 0.00 C ATOM 910 O PRO A 57 58.417 -1.636 3.982 1.00 0.00 O ATOM 911 CB PRO A 57 57.813 -3.831 6.004 1.00 0.00 C ATOM 912 CG PRO A 57 56.874 -4.790 5.250 1.00 0.00 C ATOM 913 CD PRO A 57 55.713 -3.984 4.657 1.00 0.00 C ATOM 0 HA PRO A 57 57.081 -1.972 6.907 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.811 -3.859 5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.911 -4.139 7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.418 -5.305 4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.494 -5.556 5.927 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.693 -4.044 3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.747 -4.343 5.014 1.00 0.00 H new ATOM 921 N SER A 58 58.695 -0.463 5.825 1.00 0.00 N ATOM 922 CA SER A 58 59.602 0.517 5.139 1.00 0.00 C ATOM 923 C SER A 58 60.779 -0.187 4.453 1.00 0.00 C ATOM 924 O SER A 58 61.079 0.073 3.303 1.00 0.00 O ATOM 925 CB SER A 58 60.108 1.438 6.248 1.00 0.00 C ATOM 926 OG SER A 58 60.509 0.654 7.364 1.00 0.00 O ATOM 0 H SER A 58 58.528 -0.276 6.814 1.00 0.00 H new ATOM 0 HA SER A 58 59.075 1.060 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.947 2.034 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 58 59.324 2.136 6.542 1.00 0.00 H new ATOM 0 HG SER A 58 60.836 1.242 8.077 1.00 0.00 H new ATOM 932 N ASN A 59 61.451 -1.062 5.152 1.00 0.00 N ATOM 933 CA ASN A 59 62.621 -1.774 4.547 1.00 0.00 C ATOM 934 C ASN A 59 62.191 -2.569 3.311 1.00 0.00 C ATOM 935 O ASN A 59 62.899 -2.650 2.325 1.00 0.00 O ATOM 936 CB ASN A 59 63.127 -2.707 5.659 1.00 0.00 C ATOM 937 CG ASN A 59 62.132 -3.848 5.923 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.956 -3.613 6.113 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.562 -5.080 5.942 1.00 0.00 N ATOM 0 H ASN A 59 61.242 -1.317 6.117 1.00 0.00 H new ATOM 0 HA ASN A 59 63.396 -1.086 4.208 1.00 0.00 H new ATOM 0 HB2 ASN A 59 64.094 -3.123 5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.281 -2.136 6.575 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.910 -5.845 6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.550 -5.278 5.782 1.00 0.00 H new ATOM 946 N TYR A 60 61.040 -3.169 3.384 1.00 0.00 N ATOM 947 CA TYR A 60 60.537 -3.995 2.241 1.00 0.00 C ATOM 948 C TYR A 60 60.337 -3.153 0.973 1.00 0.00 C ATOM 949 O TYR A 60 60.498 -3.653 -0.124 1.00 0.00 O ATOM 950 CB TYR A 60 59.198 -4.569 2.719 1.00 0.00 C ATOM 951 CG TYR A 60 59.381 -6.012 3.134 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.963 -6.316 4.371 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.969 -7.044 2.282 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.132 -7.650 4.756 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.138 -8.379 2.668 1.00 0.00 C ATOM 956 CZ TYR A 60 59.719 -8.682 3.904 1.00 0.00 C ATOM 957 OH TYR A 60 59.885 -9.998 4.285 1.00 0.00 O ATOM 0 H TYR A 60 60.416 -3.126 4.190 1.00 0.00 H new ATOM 0 HA TYR A 60 61.252 -4.773 1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.819 -3.985 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.457 -4.501 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.281 -5.520 5.028 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.521 -6.810 1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.581 -7.884 5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.820 -9.175 2.011 1.00 0.00 H new ATOM 0 HH TYR A 60 59.545 -10.588 3.580 1.00 0.00 H new ATOM 967 N VAL A 61 59.981 -1.895 1.097 1.00 0.00 N ATOM 968 CA VAL A 61 59.770 -1.063 -0.134 1.00 0.00 C ATOM 969 C VAL A 61 60.800 0.067 -0.233 1.00 0.00 C ATOM 970 O VAL A 61 61.536 0.337 0.696 1.00 0.00 O ATOM 971 CB VAL A 61 58.359 -0.480 -0.019 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.336 -1.616 -0.029 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.227 0.314 1.283 1.00 0.00 C ATOM 0 H VAL A 61 59.829 -1.413 1.983 1.00 0.00 H new ATOM 0 HA VAL A 61 59.887 -1.672 -1.031 1.00 0.00 H new ATOM 0 HB VAL A 61 58.176 0.185 -0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.331 -1.202 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.423 -2.176 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.524 -2.282 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.220 0.726 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.414 -0.345 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.953 1.127 1.288 1.00 0.00 H new ATOM 983 N THR A 62 60.841 0.730 -1.363 1.00 0.00 N ATOM 984 CA THR A 62 61.808 1.854 -1.552 1.00 0.00 C ATOM 985 C THR A 62 61.126 2.987 -2.352 1.00 0.00 C ATOM 986 O THR A 62 60.001 3.343 -2.067 1.00 0.00 O ATOM 987 CB THR A 62 62.989 1.228 -2.309 1.00 0.00 C ATOM 988 OG1 THR A 62 63.996 2.211 -2.504 1.00 0.00 O ATOM 989 CG2 THR A 62 62.522 0.700 -3.667 1.00 0.00 C ATOM 0 H THR A 62 60.242 0.539 -2.166 1.00 0.00 H new ATOM 0 HA THR A 62 62.145 2.304 -0.618 1.00 0.00 H new ATOM 0 HB THR A 62 63.390 0.400 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.752 1.814 -2.985 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.367 0.258 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.751 -0.056 -3.518 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.115 1.522 -4.256 1.00 0.00 H new ATOM 997 N GLU A 63 61.782 3.558 -3.341 1.00 0.00 N ATOM 998 CA GLU A 63 61.145 4.656 -4.131 1.00 0.00 C ATOM 999 C GLU A 63 60.418 4.077 -5.350 1.00 0.00 C ATOM 1000 O GLU A 63 60.922 3.202 -6.025 1.00 0.00 O ATOM 1001 CB GLU A 63 62.302 5.554 -4.570 1.00 0.00 C ATOM 1002 CG GLU A 63 62.517 6.654 -3.528 1.00 0.00 C ATOM 1003 CD GLU A 63 63.574 6.201 -2.520 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.745 6.433 -2.773 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.196 5.631 -1.509 1.00 0.00 O ATOM 0 H GLU A 63 62.728 3.309 -3.631 1.00 0.00 H new ATOM 0 HA GLU A 63 60.403 5.205 -3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.211 4.964 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.085 5.996 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.836 7.575 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.580 6.872 -3.015 1.00 0.00 H new ATOM 1012 N ALA A 64 59.232 4.560 -5.630 1.00 0.00 N ATOM 1013 CA ALA A 64 58.446 4.038 -6.799 1.00 0.00 C ATOM 1014 C ALA A 64 59.298 4.028 -8.077 1.00 0.00 C ATOM 1015 O ALA A 64 59.097 3.214 -8.958 1.00 0.00 O ATOM 1016 CB ALA A 64 57.268 5.002 -6.954 1.00 0.00 C ATOM 0 H ALA A 64 58.770 5.297 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 64 58.120 3.011 -6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.646 4.685 -7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.674 5.001 -6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.643 6.008 -7.141 1.00 0.00 H new