USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 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 -179:sc= 0.799 USER MOD Single : A 18 MET CE :methyl 145:sc= -0.228 (180deg=-0.768) 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=-0.052) USER MOD Single : A 23 ASN : amide:sc= -0.73 X(o=-0.73,f=-0.57!) USER MOD Single : A 26 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.36) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 69:sc= -2.33! USER MOD Single : A 49 LYS NZ :NH3+ -147:sc= 0.15 (180deg=0.00189) USER MOD Single : A 50 ASN : amide:sc= -1.01 X(o=-1,f=-0.73) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.69 K(o=-2.7,f=-1.8) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.352 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.189 7.702 -4.417 1.00 0.00 N ATOM 131 CA LYS A 10 54.941 6.230 -4.421 1.00 0.00 C ATOM 132 C LYS A 10 56.161 5.487 -3.864 1.00 0.00 C ATOM 133 O LYS A 10 57.097 6.092 -3.379 1.00 0.00 O ATOM 134 CB LYS A 10 54.715 5.871 -5.891 1.00 0.00 C ATOM 135 CG LYS A 10 53.249 6.107 -6.259 1.00 0.00 C ATOM 136 CD LYS A 10 53.045 7.576 -6.642 1.00 0.00 C ATOM 137 CE LYS A 10 53.824 7.894 -7.926 1.00 0.00 C ATOM 138 NZ LYS A 10 54.653 9.086 -7.594 1.00 0.00 N ATOM 0 HA LYS A 10 54.090 5.951 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.362 6.476 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.981 4.828 -6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.964 5.461 -7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.606 5.847 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 10 51.984 7.778 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 10 53.383 8.222 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.447 7.052 -8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 10 53.148 8.103 -8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.214 9.361 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.033 9.874 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 55.292 8.856 -6.806 1.00 0.00 H new ATOM 152 N VAL A 11 56.153 4.181 -3.936 1.00 0.00 N ATOM 153 CA VAL A 11 57.308 3.381 -3.416 1.00 0.00 C ATOM 154 C VAL A 11 57.406 2.063 -4.181 1.00 0.00 C ATOM 155 O VAL A 11 56.436 1.589 -4.737 1.00 0.00 O ATOM 156 CB VAL A 11 57.040 3.129 -1.926 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.273 4.426 -1.149 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.600 2.644 -1.708 1.00 0.00 C ATOM 0 H VAL A 11 55.393 3.629 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 11 58.252 3.909 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 11 57.720 2.355 -1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.084 4.254 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.304 4.752 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.597 5.197 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.431 2.471 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 11 54.903 3.401 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.442 1.715 -2.256 1.00 0.00 H new ATOM 168 N VAL A 12 58.573 1.480 -4.222 1.00 0.00 N ATOM 169 CA VAL A 12 58.757 0.200 -4.969 1.00 0.00 C ATOM 170 C VAL A 12 58.707 -0.986 -3.979 1.00 0.00 C ATOM 171 O VAL A 12 58.604 -0.800 -2.784 1.00 0.00 O ATOM 172 CB VAL A 12 60.148 0.383 -5.646 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.039 -0.868 -5.563 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.950 0.733 -7.119 1.00 0.00 C ATOM 0 H VAL A 12 59.413 1.837 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 12 57.985 -0.017 -5.708 1.00 0.00 H new ATOM 0 HB VAL A 12 60.653 1.182 -5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.992 -0.670 -6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.216 -1.120 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.542 -1.702 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.922 0.862 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.406 -0.072 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.381 1.659 -7.200 1.00 0.00 H new ATOM 184 N ALA A 13 58.802 -2.193 -4.477 1.00 0.00 N ATOM 185 CA ALA A 13 58.784 -3.390 -3.583 1.00 0.00 C ATOM 186 C ALA A 13 60.119 -4.134 -3.698 1.00 0.00 C ATOM 187 O ALA A 13 60.686 -4.240 -4.769 1.00 0.00 O ATOM 188 CB ALA A 13 57.642 -4.262 -4.104 1.00 0.00 C ATOM 0 H ALA A 13 58.892 -2.402 -5.471 1.00 0.00 H new ATOM 0 HA ALA A 13 58.644 -3.127 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.566 -5.163 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.706 -3.707 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.839 -4.539 -5.140 1.00 0.00 H new ATOM 194 N LEU A 14 60.628 -4.644 -2.603 1.00 0.00 N ATOM 195 CA LEU A 14 61.932 -5.375 -2.651 1.00 0.00 C ATOM 196 C LEU A 14 61.706 -6.888 -2.597 1.00 0.00 C ATOM 197 O LEU A 14 62.430 -7.651 -3.208 1.00 0.00 O ATOM 198 CB LEU A 14 62.700 -4.904 -1.415 1.00 0.00 C ATOM 199 CG LEU A 14 63.076 -3.429 -1.581 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.430 -2.835 -0.216 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.282 -3.315 -2.515 1.00 0.00 C ATOM 0 H LEU A 14 60.198 -4.586 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 14 62.477 -5.173 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.090 -5.037 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.598 -5.507 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 14 62.233 -2.884 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.698 -1.785 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.571 -2.918 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.273 -3.379 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.552 -2.266 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.125 -3.860 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.030 -3.738 -3.487 1.00 0.00 H new ATOM 213 N TYR A 15 60.711 -7.323 -1.870 1.00 0.00 N ATOM 214 CA TYR A 15 60.436 -8.789 -1.771 1.00 0.00 C ATOM 215 C TYR A 15 58.928 -9.047 -1.710 1.00 0.00 C ATOM 216 O TYR A 15 58.133 -8.130 -1.643 1.00 0.00 O ATOM 217 CB TYR A 15 61.108 -9.235 -0.473 1.00 0.00 C ATOM 218 CG TYR A 15 62.599 -9.012 -0.574 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.385 -9.876 -1.345 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.194 -7.941 0.104 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.767 -9.670 -1.439 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.574 -7.734 0.010 1.00 0.00 C ATOM 223 CZ TYR A 15 65.362 -8.599 -0.761 1.00 0.00 C ATOM 224 OH TYR A 15 66.723 -8.395 -0.853 1.00 0.00 O ATOM 0 H TYR A 15 60.076 -6.727 -1.340 1.00 0.00 H new ATOM 0 HA TYR A 15 60.815 -9.335 -2.635 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.702 -8.675 0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.899 -10.288 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.926 -10.702 -1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.587 -7.275 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.373 -10.337 -2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.033 -6.907 0.532 1.00 0.00 H new ATOM 0 HH TYR A 15 66.972 -7.609 -0.324 1.00 0.00 H new ATOM 234 N ASP A 16 58.536 -10.295 -1.736 1.00 0.00 N ATOM 235 CA ASP A 16 57.081 -10.634 -1.685 1.00 0.00 C ATOM 236 C ASP A 16 56.553 -10.539 -0.250 1.00 0.00 C ATOM 237 O ASP A 16 57.289 -10.701 0.706 1.00 0.00 O ATOM 238 CB ASP A 16 56.989 -12.073 -2.195 1.00 0.00 C ATOM 239 CG ASP A 16 57.080 -12.081 -3.721 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.132 -11.739 -4.235 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.095 -12.430 -4.352 1.00 0.00 O ATOM 0 H ASP A 16 59.163 -11.097 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 16 56.483 -9.948 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.793 -12.673 -1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.050 -12.524 -1.874 1.00 0.00 H new ATOM 246 N TYR A 17 55.280 -10.281 -0.100 1.00 0.00 N ATOM 247 CA TYR A 17 54.679 -10.173 1.262 1.00 0.00 C ATOM 248 C TYR A 17 53.151 -10.208 1.147 1.00 0.00 C ATOM 249 O TYR A 17 52.480 -9.215 1.355 1.00 0.00 O ATOM 250 CB TYR A 17 55.166 -8.822 1.798 1.00 0.00 C ATOM 251 CG TYR A 17 54.594 -8.568 3.174 1.00 0.00 C ATOM 252 CD1 TYR A 17 55.112 -9.242 4.285 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.547 -7.653 3.336 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.584 -9.000 5.559 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.018 -7.411 4.608 1.00 0.00 C ATOM 256 CZ TYR A 17 53.536 -8.085 5.720 1.00 0.00 C ATOM 257 OH TYR A 17 53.016 -7.847 6.976 1.00 0.00 O ATOM 0 H TYR A 17 54.626 -10.139 -0.870 1.00 0.00 H new ATOM 0 HA TYR A 17 54.966 -10.990 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.255 -8.811 1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.866 -8.024 1.119 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.919 -9.949 4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.147 -7.133 2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.985 -9.519 6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.210 -6.705 4.732 1.00 0.00 H new ATOM 0 HH TYR A 17 52.285 -7.197 6.910 1.00 0.00 H new ATOM 267 N MET A 18 52.605 -11.348 0.806 1.00 0.00 N ATOM 268 CA MET A 18 51.119 -11.463 0.661 1.00 0.00 C ATOM 269 C MET A 18 50.420 -11.120 1.987 1.00 0.00 C ATOM 270 O MET A 18 51.049 -11.131 3.027 1.00 0.00 O ATOM 271 CB MET A 18 50.862 -12.923 0.280 1.00 0.00 C ATOM 272 CG MET A 18 50.860 -13.061 -1.243 1.00 0.00 C ATOM 273 SD MET A 18 50.044 -14.607 -1.709 1.00 0.00 S ATOM 274 CE MET A 18 51.497 -15.431 -2.405 1.00 0.00 C ATOM 0 H MET A 18 53.124 -12.206 0.621 1.00 0.00 H new ATOM 0 HA MET A 18 50.729 -10.774 -0.088 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.631 -13.563 0.713 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.906 -13.253 0.687 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.343 -12.214 -1.695 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.882 -13.049 -1.621 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.446 -16.499 -2.193 1.00 0.00 H new ATOM 0 HE2 MET A 18 51.521 -15.276 -3.484 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.400 -15.015 -1.958 1.00 0.00 H new ATOM 284 N PRO A 19 49.133 -10.816 1.922 1.00 0.00 N ATOM 285 CA PRO A 19 48.380 -10.462 3.148 1.00 0.00 C ATOM 286 C PRO A 19 48.210 -11.685 4.054 1.00 0.00 C ATOM 287 O PRO A 19 48.361 -12.814 3.626 1.00 0.00 O ATOM 288 CB PRO A 19 47.026 -10.000 2.591 1.00 0.00 C ATOM 289 CG PRO A 19 47.060 -10.117 1.056 1.00 0.00 C ATOM 290 CD PRO A 19 48.364 -10.800 0.647 1.00 0.00 C ATOM 0 HA PRO A 19 48.876 -9.709 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.221 -10.611 2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.827 -8.970 2.888 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.205 -10.692 0.702 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.991 -9.129 0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.192 -11.806 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.885 -10.246 -0.134 1.00 0.00 H new ATOM 298 N MET A 20 47.886 -11.462 5.301 1.00 0.00 N ATOM 299 CA MET A 20 47.690 -12.600 6.249 1.00 0.00 C ATOM 300 C MET A 20 46.214 -12.692 6.632 1.00 0.00 C ATOM 301 O MET A 20 45.612 -13.749 6.586 1.00 0.00 O ATOM 302 CB MET A 20 48.538 -12.254 7.474 1.00 0.00 C ATOM 303 CG MET A 20 50.008 -12.142 7.068 1.00 0.00 C ATOM 304 SD MET A 20 50.801 -13.762 7.212 1.00 0.00 S ATOM 305 CE MET A 20 52.501 -13.211 6.923 1.00 0.00 C ATOM 0 H MET A 20 47.748 -10.536 5.706 1.00 0.00 H new ATOM 0 HA MET A 20 47.980 -13.558 5.818 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.198 -11.314 7.910 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.419 -13.021 8.239 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.086 -11.777 6.044 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.518 -11.418 7.704 1.00 0.00 H new ATOM 0 HE1 MET A 20 53.174 -14.067 6.968 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.571 -12.746 5.939 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.784 -12.487 7.687 1.00 0.00 H new ATOM 315 N ASN A 21 45.630 -11.583 7.004 1.00 0.00 N ATOM 316 CA ASN A 21 44.189 -11.576 7.390 1.00 0.00 C ATOM 317 C ASN A 21 43.450 -10.476 6.627 1.00 0.00 C ATOM 318 O ASN A 21 42.427 -10.712 6.011 1.00 0.00 O ATOM 319 CB ASN A 21 44.181 -11.288 8.892 1.00 0.00 C ATOM 320 CG ASN A 21 43.079 -12.108 9.565 1.00 0.00 C ATOM 321 OD1 ASN A 21 41.943 -12.089 9.134 1.00 0.00 O ATOM 322 ND2 ASN A 21 43.369 -12.833 10.610 1.00 0.00 N ATOM 0 H ASN A 21 46.093 -10.676 7.057 1.00 0.00 H new ATOM 0 HA ASN A 21 43.691 -12.517 7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.150 -11.537 9.326 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.016 -10.225 9.068 1.00 0.00 H new ATOM 0 HD21 ASN A 21 42.642 -13.384 11.066 1.00 0.00 H new ATOM 0 HD22 ASN A 21 44.323 -12.848 10.971 1.00 0.00 H new ATOM 329 N ALA A 22 43.969 -9.276 6.662 1.00 0.00 N ATOM 330 CA ALA A 22 43.314 -8.139 5.940 1.00 0.00 C ATOM 331 C ALA A 22 44.205 -6.894 5.989 1.00 0.00 C ATOM 332 O ALA A 22 44.301 -6.151 5.031 1.00 0.00 O ATOM 333 CB ALA A 22 42.002 -7.883 6.686 1.00 0.00 C ATOM 0 H ALA A 22 44.824 -9.031 7.162 1.00 0.00 H new ATOM 0 HA ALA A 22 43.144 -8.371 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.468 -7.060 6.211 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.385 -8.781 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.217 -7.625 7.723 1.00 0.00 H new ATOM 339 N ASN A 23 44.851 -6.665 7.101 1.00 0.00 N ATOM 340 CA ASN A 23 45.738 -5.467 7.230 1.00 0.00 C ATOM 341 C ASN A 23 46.844 -5.485 6.188 1.00 0.00 C ATOM 342 O ASN A 23 46.979 -4.583 5.384 1.00 0.00 O ATOM 343 CB ASN A 23 46.375 -5.574 8.608 1.00 0.00 C ATOM 344 CG ASN A 23 45.533 -4.813 9.631 1.00 0.00 C ATOM 345 OD1 ASN A 23 45.505 -3.598 9.629 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.839 -5.479 10.512 1.00 0.00 N ATOM 0 H ASN A 23 44.804 -7.257 7.930 1.00 0.00 H new ATOM 0 HA ASN A 23 45.164 -4.551 7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.458 -6.621 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.387 -5.169 8.583 1.00 0.00 H new ATOM 0 HD21 ASN A 23 44.273 -4.980 11.199 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.862 -6.499 10.514 1.00 0.00 H new ATOM 353 N ASP A 24 47.666 -6.497 6.237 1.00 0.00 N ATOM 354 CA ASP A 24 48.819 -6.591 5.296 1.00 0.00 C ATOM 355 C ASP A 24 48.385 -6.348 3.842 1.00 0.00 C ATOM 356 O ASP A 24 47.354 -6.820 3.404 1.00 0.00 O ATOM 357 CB ASP A 24 49.364 -8.009 5.467 1.00 0.00 C ATOM 358 CG ASP A 24 50.049 -8.134 6.830 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.640 -7.160 7.267 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.968 -9.202 7.415 1.00 0.00 O ATOM 0 H ASP A 24 47.587 -7.271 6.896 1.00 0.00 H new ATOM 0 HA ASP A 24 49.570 -5.832 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.553 -8.733 5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.072 -8.236 4.670 1.00 0.00 H new ATOM 365 N LEU A 25 49.172 -5.608 3.101 1.00 0.00 N ATOM 366 CA LEU A 25 48.824 -5.319 1.679 1.00 0.00 C ATOM 367 C LEU A 25 49.570 -6.294 0.761 1.00 0.00 C ATOM 368 O LEU A 25 50.729 -6.595 0.974 1.00 0.00 O ATOM 369 CB LEU A 25 49.277 -3.870 1.444 1.00 0.00 C ATOM 370 CG LEU A 25 48.864 -3.429 0.035 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.337 -3.375 -0.061 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.434 -2.038 -0.263 1.00 0.00 C ATOM 0 H LEU A 25 50.045 -5.190 3.423 1.00 0.00 H new ATOM 0 HA LEU A 25 47.761 -5.438 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.829 -3.212 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.358 -3.792 1.559 1.00 0.00 H new ATOM 0 HG LEU A 25 49.253 -4.145 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.046 -3.061 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.924 -4.363 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 25 46.952 -2.662 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.137 -1.730 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.049 -1.324 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.522 -2.069 -0.200 1.00 0.00 H new ATOM 384 N GLN A 26 48.904 -6.803 -0.244 1.00 0.00 N ATOM 385 CA GLN A 26 49.559 -7.782 -1.169 1.00 0.00 C ATOM 386 C GLN A 26 50.715 -7.136 -1.933 1.00 0.00 C ATOM 387 O GLN A 26 50.536 -6.597 -3.010 1.00 0.00 O ATOM 388 CB GLN A 26 48.458 -8.221 -2.137 1.00 0.00 C ATOM 389 CG GLN A 26 48.844 -9.556 -2.777 1.00 0.00 C ATOM 390 CD GLN A 26 48.030 -9.763 -4.056 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.986 -8.899 -4.909 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.378 -10.880 -4.226 1.00 0.00 N ATOM 0 H GLN A 26 47.933 -6.584 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 26 49.986 -8.622 -0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.511 -8.320 -1.607 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.314 -7.464 -2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.910 -9.567 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.659 -10.373 -2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.415 -11.606 -3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.832 -11.028 -5.075 1.00 0.00 H new ATOM 401 N LEU A 27 51.903 -7.202 -1.389 1.00 0.00 N ATOM 402 CA LEU A 27 53.084 -6.613 -2.077 1.00 0.00 C ATOM 403 C LEU A 27 53.743 -7.658 -2.987 1.00 0.00 C ATOM 404 O LEU A 27 53.182 -8.703 -3.256 1.00 0.00 O ATOM 405 CB LEU A 27 54.029 -6.194 -0.945 1.00 0.00 C ATOM 406 CG LEU A 27 53.728 -4.745 -0.539 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.027 -4.719 0.826 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.037 -3.949 -0.460 1.00 0.00 C ATOM 0 H LEU A 27 52.104 -7.642 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 27 52.819 -5.770 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.904 -6.857 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.066 -6.284 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 27 53.074 -4.294 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.817 -3.687 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.092 -5.276 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.674 -5.175 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.821 -2.920 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.695 -4.403 0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.527 -3.957 -1.434 1.00 0.00 H new ATOM 420 N ARG A 28 54.924 -7.371 -3.467 1.00 0.00 N ATOM 421 CA ARG A 28 55.637 -8.322 -4.371 1.00 0.00 C ATOM 422 C ARG A 28 57.077 -7.847 -4.577 1.00 0.00 C ATOM 423 O ARG A 28 57.586 -7.048 -3.814 1.00 0.00 O ATOM 424 CB ARG A 28 54.863 -8.277 -5.691 1.00 0.00 C ATOM 425 CG ARG A 28 54.800 -9.680 -6.299 1.00 0.00 C ATOM 426 CD ARG A 28 53.477 -10.349 -5.918 1.00 0.00 C ATOM 427 NE ARG A 28 53.819 -11.264 -4.793 1.00 0.00 N ATOM 428 CZ ARG A 28 53.074 -12.308 -4.552 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.966 -12.176 -3.874 1.00 0.00 N ATOM 430 NH2 ARG A 28 53.436 -13.484 -4.988 1.00 0.00 N ATOM 0 H ARG A 28 55.431 -6.508 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 28 55.681 -9.333 -3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.855 -7.898 -5.520 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.348 -7.591 -6.385 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.890 -9.621 -7.384 1.00 0.00 H new ATOM 0 HG3 ARG A 28 55.638 -10.279 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.734 -9.611 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.056 -10.898 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 28 54.635 -11.074 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.683 -11.257 -3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 28 51.383 -12.992 -3.685 1.00 0.00 H new ATOM 0 HH21 ARG A 28 54.302 -13.587 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG A 28 52.853 -14.300 -4.799 1.00 0.00 H new ATOM 444 N LYS A 29 57.734 -8.327 -5.602 1.00 0.00 N ATOM 445 CA LYS A 29 59.136 -7.901 -5.858 1.00 0.00 C ATOM 446 C LYS A 29 59.240 -7.179 -7.202 1.00 0.00 C ATOM 447 O LYS A 29 58.907 -7.721 -8.239 1.00 0.00 O ATOM 448 CB LYS A 29 59.955 -9.193 -5.861 1.00 0.00 C ATOM 449 CG LYS A 29 61.438 -8.861 -6.043 1.00 0.00 C ATOM 450 CD LYS A 29 62.114 -9.967 -6.855 1.00 0.00 C ATOM 451 CE LYS A 29 63.507 -9.504 -7.287 1.00 0.00 C ATOM 452 NZ LYS A 29 64.419 -9.967 -6.205 1.00 0.00 N ATOM 0 H LYS A 29 57.356 -8.997 -6.272 1.00 0.00 H new ATOM 0 HA LYS A 29 59.496 -7.201 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.805 -9.733 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.617 -9.848 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.547 -7.903 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.921 -8.762 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.190 -10.876 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.512 -10.210 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.785 -9.934 -8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.546 -8.420 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.395 -9.686 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.134 -9.536 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.366 -11.003 -6.126 1.00 0.00 H new ATOM 466 N GLY A 30 59.693 -5.951 -7.181 1.00 0.00 N ATOM 467 CA GLY A 30 59.816 -5.167 -8.444 1.00 0.00 C ATOM 468 C GLY A 30 58.570 -4.299 -8.631 1.00 0.00 C ATOM 469 O GLY A 30 58.610 -3.285 -9.303 1.00 0.00 O ATOM 0 H GLY A 30 59.984 -5.457 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.707 -4.540 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.933 -5.841 -9.293 1.00 0.00 H new ATOM 473 N ASP A 31 57.464 -4.684 -8.037 1.00 0.00 N ATOM 474 CA ASP A 31 56.220 -3.875 -8.177 1.00 0.00 C ATOM 475 C ASP A 31 56.311 -2.639 -7.284 1.00 0.00 C ATOM 476 O ASP A 31 57.163 -2.557 -6.425 1.00 0.00 O ATOM 477 CB ASP A 31 55.086 -4.792 -7.714 1.00 0.00 C ATOM 478 CG ASP A 31 54.670 -5.710 -8.865 1.00 0.00 C ATOM 479 OD1 ASP A 31 55.550 -6.213 -9.544 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.478 -5.896 -9.048 1.00 0.00 O ATOM 0 H ASP A 31 57.374 -5.523 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 31 56.061 -3.528 -9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.410 -5.386 -6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.235 -4.197 -7.383 1.00 0.00 H new ATOM 485 N GLU A 32 55.446 -1.678 -7.479 1.00 0.00 N ATOM 486 CA GLU A 32 55.491 -0.444 -6.630 1.00 0.00 C ATOM 487 C GLU A 32 54.076 -0.130 -6.137 1.00 0.00 C ATOM 488 O GLU A 32 53.107 -0.647 -6.662 1.00 0.00 O ATOM 489 CB GLU A 32 56.028 0.683 -7.530 1.00 0.00 C ATOM 490 CG GLU A 32 57.212 0.197 -8.380 1.00 0.00 C ATOM 491 CD GLU A 32 56.691 -0.395 -9.691 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.115 0.351 -10.467 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.875 -1.583 -9.897 1.00 0.00 O ATOM 0 H GLU A 32 54.711 -1.691 -8.186 1.00 0.00 H new ATOM 0 HA GLU A 32 56.130 -0.564 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.232 1.042 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.341 1.526 -6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.889 1.026 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.783 -0.552 -7.832 1.00 0.00 H new ATOM 500 N TYR A 33 53.946 0.674 -5.111 1.00 0.00 N ATOM 501 CA TYR A 33 52.588 0.970 -4.561 1.00 0.00 C ATOM 502 C TYR A 33 52.382 2.473 -4.361 1.00 0.00 C ATOM 503 O TYR A 33 53.183 3.288 -4.777 1.00 0.00 O ATOM 504 CB TYR A 33 52.545 0.270 -3.194 1.00 0.00 C ATOM 505 CG TYR A 33 53.191 -1.096 -3.267 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.439 -2.212 -3.646 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.552 -1.230 -2.977 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.051 -3.466 -3.730 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.164 -2.480 -3.066 1.00 0.00 C ATOM 510 CZ TYR A 33 54.415 -3.597 -3.441 1.00 0.00 C ATOM 511 OH TYR A 33 55.021 -4.827 -3.534 1.00 0.00 O ATOM 0 H TYR A 33 54.719 1.137 -4.632 1.00 0.00 H new ATOM 0 HA TYR A 33 51.809 0.627 -5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.059 0.881 -2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.511 0.171 -2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.389 -2.106 -3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.129 -0.366 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.473 -4.332 -4.017 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.216 -2.584 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 33 55.066 -5.099 -4.474 1.00 0.00 H new ATOM 521 N PHE A 34 51.308 2.830 -3.703 1.00 0.00 N ATOM 522 CA PHE A 34 51.019 4.269 -3.434 1.00 0.00 C ATOM 523 C PHE A 34 51.001 4.523 -1.927 1.00 0.00 C ATOM 524 O PHE A 34 50.235 3.927 -1.198 1.00 0.00 O ATOM 525 CB PHE A 34 49.643 4.527 -4.029 1.00 0.00 C ATOM 526 CG PHE A 34 49.794 4.982 -5.460 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.363 4.126 -6.410 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.370 6.263 -5.838 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.508 4.549 -7.736 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.516 6.685 -7.164 1.00 0.00 C ATOM 531 CZ PHE A 34 50.085 5.829 -8.114 1.00 0.00 C ATOM 0 H PHE A 34 50.613 2.179 -3.338 1.00 0.00 H new ATOM 0 HA PHE A 34 51.774 4.925 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.040 3.620 -3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.120 5.286 -3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.690 3.139 -6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 34 48.931 6.924 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.947 3.888 -8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.189 7.672 -7.455 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.198 6.155 -9.137 1.00 0.00 H new ATOM 541 N ILE A 35 51.850 5.400 -1.468 1.00 0.00 N ATOM 542 CA ILE A 35 51.924 5.702 -0.003 1.00 0.00 C ATOM 543 C ILE A 35 50.726 6.525 0.467 1.00 0.00 C ATOM 544 O ILE A 35 49.984 7.090 -0.312 1.00 0.00 O ATOM 545 CB ILE A 35 53.234 6.485 0.166 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.417 5.576 -0.194 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.390 6.981 1.612 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.457 4.359 0.741 1.00 0.00 C ATOM 0 H ILE A 35 52.503 5.927 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 35 51.903 4.793 0.598 1.00 0.00 H new ATOM 0 HB ILE A 35 53.213 7.351 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.329 5.245 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.350 6.134 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.325 7.533 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.555 7.635 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.401 6.128 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.301 3.723 0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.568 4.696 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.531 3.793 0.642 1.00 0.00 H new ATOM 560 N LEU A 36 50.551 6.581 1.759 1.00 0.00 N ATOM 561 CA LEU A 36 49.427 7.346 2.352 1.00 0.00 C ATOM 562 C LEU A 36 49.957 8.220 3.489 1.00 0.00 C ATOM 563 O LEU A 36 49.657 9.395 3.577 1.00 0.00 O ATOM 564 CB LEU A 36 48.483 6.271 2.889 1.00 0.00 C ATOM 565 CG LEU A 36 47.260 6.920 3.539 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.022 6.062 3.264 1.00 0.00 C ATOM 567 CD2 LEU A 36 47.482 7.021 5.051 1.00 0.00 C ATOM 0 H LEU A 36 51.154 6.118 2.439 1.00 0.00 H new ATOM 0 HA LEU A 36 48.930 8.007 1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.168 5.615 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 36 49.004 5.649 3.617 1.00 0.00 H new ATOM 0 HG LEU A 36 47.112 7.917 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 36 45.150 6.523 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 36 45.864 5.985 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.170 5.066 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.612 7.483 5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 36 47.628 6.023 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 36 48.365 7.629 5.249 1.00 0.00 H new ATOM 579 N GLU A 37 50.752 7.645 4.360 1.00 0.00 N ATOM 580 CA GLU A 37 51.327 8.424 5.507 1.00 0.00 C ATOM 581 C GLU A 37 52.262 7.533 6.331 1.00 0.00 C ATOM 582 O GLU A 37 52.335 6.337 6.120 1.00 0.00 O ATOM 583 CB GLU A 37 50.130 8.856 6.366 1.00 0.00 C ATOM 584 CG GLU A 37 50.381 10.260 6.921 1.00 0.00 C ATOM 585 CD GLU A 37 49.657 10.418 8.260 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.451 10.242 8.282 1.00 0.00 O ATOM 587 OE2 GLU A 37 50.323 10.711 9.239 1.00 0.00 O ATOM 0 H GLU A 37 51.030 6.664 4.327 1.00 0.00 H new ATOM 0 HA GLU A 37 51.904 9.280 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.218 8.847 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.982 8.151 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.450 10.425 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.028 11.010 6.214 1.00 0.00 H new ATOM 653 N PRO A 42 58.191 1.571 10.670 1.00 0.00 N ATOM 654 CA PRO A 42 58.627 0.262 10.099 1.00 0.00 C ATOM 655 C PRO A 42 57.555 -0.307 9.150 1.00 0.00 C ATOM 656 O PRO A 42 57.852 -1.066 8.251 1.00 0.00 O ATOM 657 CB PRO A 42 58.799 -0.614 11.344 1.00 0.00 C ATOM 658 CG PRO A 42 58.468 0.230 12.587 1.00 0.00 C ATOM 659 CD PRO A 42 58.267 1.685 12.154 1.00 0.00 C ATOM 0 HA PRO A 42 59.534 0.329 9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.142 -1.482 11.290 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.820 -0.991 11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 42 57.568 -0.148 13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.275 0.161 13.316 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.357 2.112 12.576 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.094 2.321 12.471 1.00 0.00 H new ATOM 667 N TRP A 43 56.319 0.076 9.344 1.00 0.00 N ATOM 668 CA TRP A 43 55.215 -0.398 8.465 1.00 0.00 C ATOM 669 C TRP A 43 54.459 0.825 7.927 1.00 0.00 C ATOM 670 O TRP A 43 54.581 1.910 8.466 1.00 0.00 O ATOM 671 CB TRP A 43 54.325 -1.223 9.386 1.00 0.00 C ATOM 672 CG TRP A 43 55.032 -2.473 9.787 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.718 -2.610 10.932 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.132 -3.750 9.090 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.239 -3.890 10.997 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.905 -4.632 9.883 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.635 -4.229 7.862 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.174 -5.939 9.477 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.906 -5.544 7.451 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.672 -6.398 8.257 1.00 0.00 C ATOM 0 H TRP A 43 56.026 0.709 10.089 1.00 0.00 H new ATOM 0 HA TRP A 43 55.555 -0.980 7.608 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.064 -0.642 10.271 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.391 -1.469 8.880 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.843 -1.844 11.683 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.801 -4.242 11.773 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.042 -3.581 7.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.766 -6.591 10.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.521 -5.900 6.507 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.874 -7.409 7.935 1.00 0.00 H new ATOM 691 N TRP A 44 53.702 0.677 6.865 1.00 0.00 N ATOM 692 CA TRP A 44 52.974 1.856 6.301 1.00 0.00 C ATOM 693 C TRP A 44 51.493 1.555 6.076 1.00 0.00 C ATOM 694 O TRP A 44 50.977 0.543 6.494 1.00 0.00 O ATOM 695 CB TRP A 44 53.641 2.086 4.947 1.00 0.00 C ATOM 696 CG TRP A 44 54.913 2.872 5.074 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.331 3.580 6.155 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.935 3.035 4.061 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.557 4.154 5.861 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.968 3.847 4.577 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.056 2.550 2.752 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.091 4.168 3.812 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.176 2.868 1.979 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.196 3.677 2.506 1.00 0.00 C ATOM 0 H TRP A 44 53.558 -0.202 6.369 1.00 0.00 H new ATOM 0 HA TRP A 44 53.021 2.712 6.975 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.854 1.125 4.480 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.952 2.615 4.288 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.797 3.679 7.088 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.090 4.731 6.511 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.278 1.926 2.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 58.872 4.790 4.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.258 2.490 0.971 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.060 3.920 1.904 1.00 0.00 H new ATOM 715 N ARG A 45 50.826 2.436 5.377 1.00 0.00 N ATOM 716 CA ARG A 45 49.390 2.237 5.044 1.00 0.00 C ATOM 717 C ARG A 45 49.215 2.664 3.586 1.00 0.00 C ATOM 718 O ARG A 45 48.457 3.556 3.263 1.00 0.00 O ATOM 719 CB ARG A 45 48.613 3.158 5.988 1.00 0.00 C ATOM 720 CG ARG A 45 47.925 2.322 7.070 1.00 0.00 C ATOM 721 CD ARG A 45 46.754 1.552 6.456 1.00 0.00 C ATOM 722 NE ARG A 45 45.560 2.405 6.707 1.00 0.00 N ATOM 723 CZ ARG A 45 45.015 2.431 7.892 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.244 1.450 8.277 1.00 0.00 N ATOM 725 NH2 ARG A 45 45.239 3.437 8.693 1.00 0.00 N ATOM 0 H ARG A 45 51.228 3.302 5.017 1.00 0.00 H new ATOM 0 HA ARG A 45 49.043 1.210 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.289 3.879 6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.871 3.728 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 45 48.637 1.627 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.568 2.969 7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.905 1.388 5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.642 0.570 6.916 1.00 0.00 H new ATOM 0 HE ARG A 45 45.168 2.969 5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.068 0.664 7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.818 1.470 9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.841 4.204 8.393 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.812 3.456 9.619 1.00 0.00 H new ATOM 739 N ALA A 46 49.959 2.040 2.715 1.00 0.00 N ATOM 740 CA ALA A 46 49.925 2.391 1.265 1.00 0.00 C ATOM 741 C ALA A 46 48.973 1.464 0.514 1.00 0.00 C ATOM 742 O ALA A 46 48.550 0.447 1.032 1.00 0.00 O ATOM 743 CB ALA A 46 51.374 2.181 0.791 1.00 0.00 C ATOM 0 H ALA A 46 50.603 1.285 2.952 1.00 0.00 H new ATOM 0 HA ALA A 46 49.572 3.407 1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.447 2.416 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.039 2.835 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.663 1.143 0.953 1.00 0.00 H new ATOM 749 N ARG A 47 48.636 1.804 -0.706 1.00 0.00 N ATOM 750 CA ARG A 47 47.716 0.935 -1.491 1.00 0.00 C ATOM 751 C ARG A 47 48.443 0.343 -2.693 1.00 0.00 C ATOM 752 O ARG A 47 49.441 0.869 -3.146 1.00 0.00 O ATOM 753 CB ARG A 47 46.588 1.845 -1.963 1.00 0.00 C ATOM 754 CG ARG A 47 45.761 2.303 -0.764 1.00 0.00 C ATOM 755 CD ARG A 47 45.341 3.763 -0.954 1.00 0.00 C ATOM 756 NE ARG A 47 43.928 3.821 -0.489 1.00 0.00 N ATOM 757 CZ ARG A 47 42.965 4.014 -1.349 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.082 4.939 -2.262 1.00 0.00 N ATOM 759 NH2 ARG A 47 41.886 3.282 -1.296 1.00 0.00 N ATOM 0 H ARG A 47 48.959 2.643 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 47 47.344 0.104 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.999 2.709 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.954 1.315 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.879 1.672 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.342 2.198 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.975 4.435 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.426 4.065 -1.998 1.00 0.00 H new ATOM 0 HE ARG A 47 43.712 3.710 0.502 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.926 5.511 -2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.330 5.090 -2.934 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.795 2.559 -0.582 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.134 3.433 -1.968 1.00 0.00 H new ATOM 773 N ASP A 48 47.942 -0.742 -3.213 1.00 0.00 N ATOM 774 CA ASP A 48 48.594 -1.381 -4.390 1.00 0.00 C ATOM 775 C ASP A 48 47.853 -1.003 -5.680 1.00 0.00 C ATOM 776 O ASP A 48 47.123 -0.031 -5.724 1.00 0.00 O ATOM 777 CB ASP A 48 48.504 -2.887 -4.121 1.00 0.00 C ATOM 778 CG ASP A 48 47.038 -3.319 -4.004 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.351 -2.791 -3.145 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.630 -4.171 -4.776 1.00 0.00 O ATOM 0 H ASP A 48 47.106 -1.216 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 48 49.626 -1.057 -4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 48 48.989 -3.437 -4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.037 -3.132 -3.202 1.00 0.00 H new ATOM 785 N LYS A 49 48.044 -1.766 -6.726 1.00 0.00 N ATOM 786 CA LYS A 49 47.358 -1.458 -8.022 1.00 0.00 C ATOM 787 C LYS A 49 45.849 -1.728 -7.919 1.00 0.00 C ATOM 788 O LYS A 49 45.083 -1.294 -8.759 1.00 0.00 O ATOM 789 CB LYS A 49 48.003 -2.394 -9.057 1.00 0.00 C ATOM 790 CG LYS A 49 48.789 -1.572 -10.083 1.00 0.00 C ATOM 791 CD LYS A 49 49.962 -0.874 -9.391 1.00 0.00 C ATOM 792 CE LYS A 49 51.142 -1.842 -9.281 1.00 0.00 C ATOM 793 NZ LYS A 49 52.344 -1.017 -9.583 1.00 0.00 N ATOM 0 H LYS A 49 48.645 -2.590 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 49 47.469 -0.409 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.667 -3.100 -8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.234 -2.980 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.156 -2.220 -10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 49 48.137 -0.833 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.256 0.011 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.663 -0.535 -8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 49 51.203 -2.279 -8.284 1.00 0.00 H new ATOM 0 HE3 LYS A 49 51.043 -2.668 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 53.055 -1.603 -10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 52.074 -0.223 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 52.744 -0.649 -8.696 1.00 0.00 H new ATOM 807 N ASN A 50 45.415 -2.441 -6.905 1.00 0.00 N ATOM 808 CA ASN A 50 43.961 -2.735 -6.761 1.00 0.00 C ATOM 809 C ASN A 50 43.242 -1.620 -5.985 1.00 0.00 C ATOM 810 O ASN A 50 42.111 -1.783 -5.570 1.00 0.00 O ATOM 811 CB ASN A 50 43.899 -4.050 -5.984 1.00 0.00 C ATOM 812 CG ASN A 50 44.568 -5.157 -6.800 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.778 -5.223 -6.881 1.00 0.00 O ATOM 814 ND2 ASN A 50 43.825 -6.038 -7.414 1.00 0.00 N ATOM 0 H ASN A 50 46.009 -2.830 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 50 43.467 -2.801 -7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.399 -3.940 -5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 50 42.862 -4.313 -5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 50 44.261 -6.781 -7.961 1.00 0.00 H new ATOM 0 HD22 ASN A 50 42.809 -5.984 -7.347 1.00 0.00 H new ATOM 821 N GLY A 51 43.885 -0.491 -5.783 1.00 0.00 N ATOM 822 CA GLY A 51 43.232 0.624 -5.034 1.00 0.00 C ATOM 823 C GLY A 51 42.879 0.164 -3.617 1.00 0.00 C ATOM 824 O GLY A 51 41.962 0.677 -3.002 1.00 0.00 O ATOM 0 H GLY A 51 44.833 -0.298 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.900 1.484 -4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.331 0.946 -5.556 1.00 0.00 H new ATOM 828 N GLN A 52 43.599 -0.799 -3.094 1.00 0.00 N ATOM 829 CA GLN A 52 43.306 -1.293 -1.716 1.00 0.00 C ATOM 830 C GLN A 52 44.457 -0.938 -0.772 1.00 0.00 C ATOM 831 O GLN A 52 45.604 -1.241 -1.038 1.00 0.00 O ATOM 832 CB GLN A 52 43.181 -2.809 -1.857 1.00 0.00 C ATOM 833 CG GLN A 52 41.739 -3.173 -2.214 1.00 0.00 C ATOM 834 CD GLN A 52 41.413 -4.565 -1.669 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.294 -5.381 -1.490 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.175 -4.872 -1.396 1.00 0.00 N ATOM 0 H GLN A 52 44.377 -1.263 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 52 42.403 -0.845 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.860 -3.170 -2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.470 -3.296 -0.926 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.053 -2.437 -1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.605 -3.154 -3.296 1.00 0.00 H new ATOM 0 HE21 GLN A 52 39.435 -4.187 -1.546 1.00 0.00 H new ATOM 0 HE22 GLN A 52 39.947 -5.797 -1.032 1.00 0.00 H new ATOM 845 N GLU A 53 44.152 -0.300 0.330 1.00 0.00 N ATOM 846 CA GLU A 53 45.221 0.080 1.305 1.00 0.00 C ATOM 847 C GLU A 53 45.484 -1.074 2.275 1.00 0.00 C ATOM 848 O GLU A 53 44.611 -1.881 2.534 1.00 0.00 O ATOM 849 CB GLU A 53 44.674 1.305 2.057 1.00 0.00 C ATOM 850 CG GLU A 53 43.358 0.954 2.764 1.00 0.00 C ATOM 851 CD GLU A 53 43.099 1.960 3.887 1.00 0.00 C ATOM 852 OE1 GLU A 53 44.035 2.267 4.608 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.971 2.407 4.008 1.00 0.00 O ATOM 0 H GLU A 53 43.207 -0.025 0.597 1.00 0.00 H new ATOM 0 HA GLU A 53 46.166 0.303 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.407 1.648 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.511 2.126 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.534 0.969 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.409 -0.056 3.171 1.00 0.00 H new ATOM 860 N GLY A 54 46.675 -1.156 2.817 1.00 0.00 N ATOM 861 CA GLY A 54 46.978 -2.260 3.776 1.00 0.00 C ATOM 862 C GLY A 54 48.206 -1.882 4.595 1.00 0.00 C ATOM 863 O GLY A 54 48.236 -0.838 5.220 1.00 0.00 O ATOM 0 H GLY A 54 47.444 -0.511 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.126 -2.433 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.157 -3.190 3.236 1.00 0.00 H new ATOM 867 N TYR A 55 49.217 -2.711 4.596 1.00 0.00 N ATOM 868 CA TYR A 55 50.439 -2.377 5.373 1.00 0.00 C ATOM 869 C TYR A 55 51.704 -2.697 4.575 1.00 0.00 C ATOM 870 O TYR A 55 51.828 -3.742 3.968 1.00 0.00 O ATOM 871 CB TYR A 55 50.363 -3.218 6.648 1.00 0.00 C ATOM 872 CG TYR A 55 49.642 -2.441 7.722 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.244 -2.458 7.780 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.373 -1.703 8.661 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.575 -1.737 8.776 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.704 -0.981 9.656 1.00 0.00 C ATOM 877 CZ TYR A 55 48.306 -0.999 9.715 1.00 0.00 C ATOM 878 OH TYR A 55 47.647 -0.288 10.698 1.00 0.00 O ATOM 0 H TYR A 55 49.246 -3.599 4.095 1.00 0.00 H new ATOM 0 HA TYR A 55 50.488 -1.312 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 55 49.841 -4.154 6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.366 -3.479 6.985 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.681 -3.028 7.056 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.452 -1.691 8.617 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.496 -1.750 8.820 1.00 0.00 H new ATOM 0 HE2 TYR A 55 50.267 -0.409 10.379 1.00 0.00 H new ATOM 0 HH TYR A 55 48.302 0.167 11.267 1.00 0.00 H new ATOM 888 N ILE A 56 52.636 -1.777 4.564 1.00 0.00 N ATOM 889 CA ILE A 56 53.907 -1.981 3.795 1.00 0.00 C ATOM 890 C ILE A 56 55.129 -1.803 4.717 1.00 0.00 C ATOM 891 O ILE A 56 55.335 -0.712 5.216 1.00 0.00 O ATOM 892 CB ILE A 56 53.945 -0.863 2.731 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.552 -0.543 2.150 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.874 -1.271 1.605 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.827 -1.821 1.722 1.00 0.00 C ATOM 0 H ILE A 56 52.572 -0.887 5.057 1.00 0.00 H new ATOM 0 HA ILE A 56 53.938 -2.981 3.363 1.00 0.00 H new ATOM 0 HB ILE A 56 54.306 0.039 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.956 -0.015 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.656 0.124 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.902 -0.483 0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.877 -1.431 2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 56 54.512 -2.193 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.848 -1.566 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 56 52.413 -2.334 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.703 -2.475 2.585 1.00 0.00 H new ATOM 907 N PRO A 57 55.937 -2.837 4.907 1.00 0.00 N ATOM 908 CA PRO A 57 57.142 -2.680 5.756 1.00 0.00 C ATOM 909 C PRO A 57 58.087 -1.656 5.104 1.00 0.00 C ATOM 910 O PRO A 57 58.582 -1.868 4.015 1.00 0.00 O ATOM 911 CB PRO A 57 57.746 -4.087 5.760 1.00 0.00 C ATOM 912 CG PRO A 57 56.854 -5.012 4.912 1.00 0.00 C ATOM 913 CD PRO A 57 55.708 -4.185 4.317 1.00 0.00 C ATOM 0 HA PRO A 57 56.943 -2.316 6.764 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.758 -4.064 5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.818 -4.464 6.780 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.438 -5.474 4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.457 -5.820 5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.748 -4.162 3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.733 -4.587 4.592 1.00 0.00 H new ATOM 921 N SER A 58 58.308 -0.538 5.753 1.00 0.00 N ATOM 922 CA SER A 58 59.192 0.537 5.177 1.00 0.00 C ATOM 923 C SER A 58 60.499 -0.028 4.602 1.00 0.00 C ATOM 924 O SER A 58 61.048 0.511 3.658 1.00 0.00 O ATOM 925 CB SER A 58 59.496 1.465 6.353 1.00 0.00 C ATOM 926 OG SER A 58 60.564 2.334 6.001 1.00 0.00 O ATOM 0 H SER A 58 57.912 -0.318 6.667 1.00 0.00 H new ATOM 0 HA SER A 58 58.698 1.043 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.610 2.045 6.612 1.00 0.00 H new ATOM 0 HB3 SER A 58 59.763 0.880 7.233 1.00 0.00 H new ATOM 0 HG SER A 58 60.761 2.932 6.752 1.00 0.00 H new ATOM 932 N ASN A 59 61.000 -1.098 5.160 1.00 0.00 N ATOM 933 CA ASN A 59 62.272 -1.689 4.645 1.00 0.00 C ATOM 934 C ASN A 59 62.003 -2.498 3.372 1.00 0.00 C ATOM 935 O ASN A 59 62.776 -2.487 2.433 1.00 0.00 O ATOM 936 CB ASN A 59 62.777 -2.582 5.792 1.00 0.00 C ATOM 937 CG ASN A 59 61.916 -3.845 5.942 1.00 0.00 C ATOM 938 OD1 ASN A 59 62.190 -4.857 5.327 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.882 -3.826 6.738 1.00 0.00 N ATOM 0 H ASN A 59 60.584 -1.589 5.951 1.00 0.00 H new ATOM 0 HA ASN A 59 63.011 -0.936 4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.812 -2.866 5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.765 -2.019 6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.304 -4.660 6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.651 -2.977 7.254 1.00 0.00 H new ATOM 946 N TYR A 60 60.912 -3.205 3.360 1.00 0.00 N ATOM 947 CA TYR A 60 60.557 -4.046 2.172 1.00 0.00 C ATOM 948 C TYR A 60 60.314 -3.185 0.924 1.00 0.00 C ATOM 949 O TYR A 60 60.325 -3.688 -0.184 1.00 0.00 O ATOM 950 CB TYR A 60 59.269 -4.772 2.569 1.00 0.00 C ATOM 951 CG TYR A 60 59.595 -6.160 3.070 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.992 -6.351 4.399 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.498 -7.257 2.206 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.292 -7.636 4.863 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.799 -8.543 2.670 1.00 0.00 C ATOM 956 CZ TYR A 60 60.197 -8.733 3.998 1.00 0.00 C ATOM 957 OH TYR A 60 60.492 -10.001 4.456 1.00 0.00 O ATOM 0 H TYR A 60 60.240 -3.241 4.127 1.00 0.00 H new ATOM 0 HA TYR A 60 61.365 -4.732 1.918 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.748 -4.209 3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.597 -4.833 1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.067 -5.505 5.067 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.191 -7.111 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.597 -7.782 5.889 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.724 -9.389 2.003 1.00 0.00 H new ATOM 0 HH TYR A 60 60.374 -10.647 3.729 1.00 0.00 H new ATOM 967 N VAL A 61 60.084 -1.903 1.083 1.00 0.00 N ATOM 968 CA VAL A 61 59.832 -1.037 -0.116 1.00 0.00 C ATOM 969 C VAL A 61 60.745 0.188 -0.124 1.00 0.00 C ATOM 970 O VAL A 61 61.287 0.587 0.889 1.00 0.00 O ATOM 971 CB VAL A 61 58.370 -0.590 -0.016 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.452 -1.806 -0.137 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.125 0.101 1.331 1.00 0.00 C ATOM 0 H VAL A 61 60.060 -1.421 1.982 1.00 0.00 H new ATOM 0 HA VAL A 61 60.034 -1.589 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 61 58.157 0.111 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.413 -1.486 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.617 -2.292 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.671 -2.509 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.083 0.416 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.344 -0.594 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.773 0.973 1.416 1.00 0.00 H new ATOM 983 N THR A 62 60.892 0.795 -1.271 1.00 0.00 N ATOM 984 CA THR A 62 61.738 2.013 -1.392 1.00 0.00 C ATOM 985 C THR A 62 60.966 3.066 -2.201 1.00 0.00 C ATOM 986 O THR A 62 59.757 3.135 -2.116 1.00 0.00 O ATOM 987 CB THR A 62 63.009 1.552 -2.121 1.00 0.00 C ATOM 988 OG1 THR A 62 63.883 2.659 -2.289 1.00 0.00 O ATOM 989 CG2 THR A 62 62.649 0.975 -3.494 1.00 0.00 C ATOM 0 H THR A 62 60.454 0.492 -2.141 1.00 0.00 H new ATOM 0 HA THR A 62 61.992 2.465 -0.433 1.00 0.00 H new ATOM 0 HB THR A 62 63.500 0.780 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.696 2.367 -2.752 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.557 0.651 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.981 0.123 -3.367 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.152 1.740 -4.091 1.00 0.00 H new ATOM 997 N GLU A 63 61.637 3.874 -2.983 1.00 0.00 N ATOM 998 CA GLU A 63 60.914 4.901 -3.791 1.00 0.00 C ATOM 999 C GLU A 63 60.335 4.261 -5.054 1.00 0.00 C ATOM 1000 O GLU A 63 60.915 3.356 -5.622 1.00 0.00 O ATOM 1001 CB GLU A 63 61.968 5.949 -4.147 1.00 0.00 C ATOM 1002 CG GLU A 63 62.393 6.698 -2.882 1.00 0.00 C ATOM 1003 CD GLU A 63 63.167 7.959 -3.270 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.148 7.831 -3.983 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.766 9.030 -2.846 1.00 0.00 O ATOM 0 H GLU A 63 62.651 3.867 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 63 60.079 5.343 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 63 62.833 5.469 -4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 63 61.566 6.649 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.516 6.964 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.014 6.055 -2.258 1.00 0.00 H new ATOM 1012 N ALA A 64 59.188 4.720 -5.493 1.00 0.00 N ATOM 1013 CA ALA A 64 58.547 4.135 -6.719 1.00 0.00 C ATOM 1014 C ALA A 64 59.544 4.081 -7.887 1.00 0.00 C ATOM 1015 O ALA A 64 59.423 3.262 -8.779 1.00 0.00 O ATOM 1016 CB ALA A 64 57.385 5.073 -7.052 1.00 0.00 C ATOM 0 H ALA A 64 58.664 5.478 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 64 58.213 3.112 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.867 4.710 -7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.690 5.103 -6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.769 6.075 -7.241 1.00 0.00 H new