USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -107:sc= -0.525 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=-0.14) USER MOD Single : A 23 ASN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.0827 K(o=-0.083,f=-1.4!) USER MOD Single : A 29 LYS NZ :NH3+ -110:sc= 1.16 (180deg=-0.847) USER MOD Single : A 33 TYR OH : rot 46:sc= -3.37! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.616 K(o=-0.62,f=-1.7!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -24:sc= 0.5 USER MOD Single : A 59 ASN : amide:sc= -1.61 K(o=-1.6,f=-5.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -129:sc= 0.34 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 55.197 7.607 -3.559 1.00 0.00 N ATOM 131 CA LYS A 10 54.995 6.141 -3.757 1.00 0.00 C ATOM 132 C LYS A 10 56.255 5.374 -3.347 1.00 0.00 C ATOM 133 O LYS A 10 57.213 5.951 -2.870 1.00 0.00 O ATOM 134 CB LYS A 10 54.727 5.980 -5.255 1.00 0.00 C ATOM 135 CG LYS A 10 53.323 6.495 -5.584 1.00 0.00 C ATOM 136 CD LYS A 10 53.411 7.938 -6.086 1.00 0.00 C ATOM 137 CE LYS A 10 54.036 7.957 -7.482 1.00 0.00 C ATOM 138 NZ LYS A 10 53.280 9.001 -8.228 1.00 0.00 N ATOM 0 HA LYS A 10 54.177 5.749 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.471 6.532 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 10 54.817 4.932 -5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.861 5.863 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.689 6.445 -4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 10 52.417 8.385 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.010 8.537 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 10 55.098 8.196 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 10 53.949 6.985 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.652 9.073 -9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 52.273 8.743 -8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.387 9.917 -7.747 1.00 0.00 H new ATOM 152 N VAL A 11 56.262 4.078 -3.538 1.00 0.00 N ATOM 153 CA VAL A 11 57.462 3.259 -3.166 1.00 0.00 C ATOM 154 C VAL A 11 57.503 1.982 -4.001 1.00 0.00 C ATOM 155 O VAL A 11 56.507 1.560 -4.552 1.00 0.00 O ATOM 156 CB VAL A 11 57.328 2.918 -1.673 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.641 4.162 -0.841 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.912 2.423 -1.356 1.00 0.00 C ATOM 0 H VAL A 11 55.487 3.548 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 11 58.384 3.808 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 11 58.032 2.123 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.547 3.924 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.658 4.493 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.941 4.957 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.838 2.187 -0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.190 3.201 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.699 1.529 -1.942 1.00 0.00 H new ATOM 168 N VAL A 12 58.652 1.370 -4.098 1.00 0.00 N ATOM 169 CA VAL A 12 58.781 0.121 -4.901 1.00 0.00 C ATOM 170 C VAL A 12 58.719 -1.093 -3.947 1.00 0.00 C ATOM 171 O VAL A 12 58.650 -0.937 -2.744 1.00 0.00 O ATOM 172 CB VAL A 12 60.161 0.287 -5.601 1.00 0.00 C ATOM 173 CG1 VAL A 12 60.998 -1.001 -5.612 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.941 0.727 -7.044 1.00 0.00 C ATOM 0 H VAL A 12 59.513 1.685 -3.652 1.00 0.00 H new ATOM 0 HA VAL A 12 57.992 -0.044 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 12 60.713 1.033 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.947 -0.814 -6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.187 -1.321 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.455 -1.784 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.905 0.845 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.353 -0.026 -7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.408 1.677 -7.057 1.00 0.00 H new ATOM 184 N ALA A 13 58.760 -2.287 -4.477 1.00 0.00 N ATOM 185 CA ALA A 13 58.724 -3.503 -3.611 1.00 0.00 C ATOM 186 C ALA A 13 60.054 -4.253 -3.720 1.00 0.00 C ATOM 187 O ALA A 13 60.626 -4.364 -4.788 1.00 0.00 O ATOM 188 CB ALA A 13 57.582 -4.353 -4.164 1.00 0.00 C ATOM 0 H ALA A 13 58.817 -2.473 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 13 58.573 -3.262 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.492 -5.268 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.649 -3.792 -4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.788 -4.607 -5.204 1.00 0.00 H new ATOM 194 N LEU A 14 60.554 -4.759 -2.621 1.00 0.00 N ATOM 195 CA LEU A 14 61.855 -5.494 -2.653 1.00 0.00 C ATOM 196 C LEU A 14 61.622 -7.007 -2.677 1.00 0.00 C ATOM 197 O LEU A 14 62.384 -7.748 -3.269 1.00 0.00 O ATOM 198 CB LEU A 14 62.572 -5.081 -1.368 1.00 0.00 C ATOM 199 CG LEU A 14 63.356 -3.792 -1.615 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.794 -3.194 -0.277 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.594 -4.104 -2.462 1.00 0.00 C ATOM 0 H LEU A 14 60.117 -4.695 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 14 62.437 -5.256 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 14 61.848 -4.931 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.247 -5.874 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 14 62.723 -3.078 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.353 -2.275 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.915 -2.973 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.427 -3.907 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 14 65.154 -3.186 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.226 -4.818 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.284 -4.530 -3.416 1.00 0.00 H new ATOM 213 N TYR A 15 60.579 -7.469 -2.037 1.00 0.00 N ATOM 214 CA TYR A 15 60.298 -8.937 -2.019 1.00 0.00 C ATOM 215 C TYR A 15 58.793 -9.197 -1.905 1.00 0.00 C ATOM 216 O TYR A 15 58.001 -8.280 -1.804 1.00 0.00 O ATOM 217 CB TYR A 15 61.029 -9.465 -0.784 1.00 0.00 C ATOM 218 CG TYR A 15 62.518 -9.321 -0.980 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.174 -10.086 -1.954 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.246 -8.423 -0.189 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.555 -9.953 -2.135 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.627 -8.291 -0.371 1.00 0.00 C ATOM 223 CZ TYR A 15 65.282 -9.055 -1.344 1.00 0.00 C ATOM 224 OH TYR A 15 66.644 -8.925 -1.523 1.00 0.00 O ATOM 0 H TYR A 15 59.909 -6.894 -1.526 1.00 0.00 H new ATOM 0 HA TYR A 15 60.631 -9.428 -2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.713 -8.914 0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.773 -10.511 -0.617 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.614 -10.778 -2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.741 -7.833 0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.060 -10.543 -2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.188 -7.599 0.240 1.00 0.00 H new ATOM 0 HH TYR A 15 66.994 -8.260 -0.895 1.00 0.00 H new ATOM 234 N ASP A 16 58.401 -10.444 -1.928 1.00 0.00 N ATOM 235 CA ASP A 16 56.947 -10.785 -1.829 1.00 0.00 C ATOM 236 C ASP A 16 56.438 -10.591 -0.398 1.00 0.00 C ATOM 237 O ASP A 16 57.171 -10.746 0.561 1.00 0.00 O ATOM 238 CB ASP A 16 56.852 -12.257 -2.234 1.00 0.00 C ATOM 239 CG ASP A 16 56.650 -12.360 -3.746 1.00 0.00 C ATOM 240 OD1 ASP A 16 55.918 -11.546 -4.283 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.232 -13.252 -4.343 1.00 0.00 O ATOM 0 H ASP A 16 59.026 -11.245 -2.011 1.00 0.00 H new ATOM 0 HA ASP A 16 56.338 -10.144 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.760 -12.785 -1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.023 -12.735 -1.713 1.00 0.00 H new ATOM 246 N TYR A 17 55.180 -10.253 -0.255 1.00 0.00 N ATOM 247 CA TYR A 17 54.596 -10.047 1.103 1.00 0.00 C ATOM 248 C TYR A 17 53.065 -10.013 0.986 1.00 0.00 C ATOM 249 O TYR A 17 52.440 -8.981 1.150 1.00 0.00 O ATOM 250 CB TYR A 17 55.173 -8.697 1.571 1.00 0.00 C ATOM 251 CG TYR A 17 54.462 -8.198 2.815 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.223 -9.063 3.892 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.040 -6.865 2.884 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.562 -8.593 5.034 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.380 -6.397 4.025 1.00 0.00 C ATOM 256 CZ TYR A 17 53.140 -7.260 5.100 1.00 0.00 C ATOM 257 OH TYR A 17 52.488 -6.797 6.225 1.00 0.00 O ATOM 0 H TYR A 17 54.530 -10.110 -1.028 1.00 0.00 H new ATOM 0 HA TYR A 17 54.837 -10.838 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.238 -8.805 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.076 -7.961 0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.548 -10.092 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 17 54.224 -6.197 2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.378 -9.259 5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 17 53.055 -5.368 4.076 1.00 0.00 H new ATOM 0 HH TYR A 17 51.537 -6.672 6.024 1.00 0.00 H new ATOM 267 N MET A 18 52.466 -11.140 0.696 1.00 0.00 N ATOM 268 CA MET A 18 50.978 -11.194 0.556 1.00 0.00 C ATOM 269 C MET A 18 50.296 -10.848 1.890 1.00 0.00 C ATOM 270 O MET A 18 50.939 -10.853 2.921 1.00 0.00 O ATOM 271 CB MET A 18 50.661 -12.636 0.152 1.00 0.00 C ATOM 272 CG MET A 18 50.582 -12.734 -1.373 1.00 0.00 C ATOM 273 SD MET A 18 51.002 -14.417 -1.892 1.00 0.00 S ATOM 274 CE MET A 18 52.404 -13.984 -2.950 1.00 0.00 C ATOM 0 H MET A 18 52.945 -12.029 0.550 1.00 0.00 H new ATOM 0 HA MET A 18 50.615 -10.476 -0.179 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.431 -13.308 0.531 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.717 -12.950 0.596 1.00 0.00 H new ATOM 0 HG2 MET A 18 49.579 -12.477 -1.713 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.267 -12.019 -1.830 1.00 0.00 H new ATOM 0 HE1 MET A 18 52.826 -14.890 -3.384 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.067 -13.322 -3.748 1.00 0.00 H new ATOM 0 HE3 MET A 18 53.165 -13.478 -2.356 1.00 0.00 H new ATOM 284 N PRO A 19 49.009 -10.546 1.839 1.00 0.00 N ATOM 285 CA PRO A 19 48.267 -10.190 3.071 1.00 0.00 C ATOM 286 C PRO A 19 48.109 -11.412 3.982 1.00 0.00 C ATOM 287 O PRO A 19 48.270 -12.540 3.557 1.00 0.00 O ATOM 288 CB PRO A 19 46.909 -9.732 2.524 1.00 0.00 C ATOM 289 CG PRO A 19 46.929 -9.852 0.989 1.00 0.00 C ATOM 290 CD PRO A 19 48.228 -10.537 0.571 1.00 0.00 C ATOM 0 HA PRO A 19 48.766 -9.434 3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.108 -10.343 2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.710 -8.702 2.820 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.070 -10.427 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.857 -8.865 0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.053 -11.545 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.741 -9.987 -0.218 1.00 0.00 H new ATOM 298 N MET A 20 47.783 -11.189 5.229 1.00 0.00 N ATOM 299 CA MET A 20 47.598 -12.324 6.179 1.00 0.00 C ATOM 300 C MET A 20 46.127 -12.408 6.585 1.00 0.00 C ATOM 301 O MET A 20 45.517 -13.459 6.545 1.00 0.00 O ATOM 302 CB MET A 20 48.467 -11.982 7.392 1.00 0.00 C ATOM 303 CG MET A 20 49.931 -11.868 6.963 1.00 0.00 C ATOM 304 SD MET A 20 50.685 -13.514 6.947 1.00 0.00 S ATOM 305 CE MET A 20 51.456 -13.426 8.582 1.00 0.00 C ATOM 0 H MET A 20 47.636 -10.263 5.631 1.00 0.00 H new ATOM 0 HA MET A 20 47.878 -13.284 5.744 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.134 -11.044 7.837 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.361 -12.752 8.156 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.997 -11.416 5.973 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.472 -11.215 7.648 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.987 -14.356 8.784 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.159 -12.594 8.608 1.00 0.00 H new ATOM 0 HE3 MET A 20 50.687 -13.275 9.339 1.00 0.00 H new ATOM 315 N ASN A 21 45.558 -11.295 6.968 1.00 0.00 N ATOM 316 CA ASN A 21 44.123 -11.277 7.374 1.00 0.00 C ATOM 317 C ASN A 21 43.375 -10.195 6.593 1.00 0.00 C ATOM 318 O ASN A 21 42.363 -10.452 5.968 1.00 0.00 O ATOM 319 CB ASN A 21 44.135 -10.951 8.868 1.00 0.00 C ATOM 320 CG ASN A 21 44.636 -12.167 9.651 1.00 0.00 C ATOM 321 OD1 ASN A 21 45.825 -12.396 9.743 1.00 0.00 O ATOM 322 ND2 ASN A 21 43.772 -12.960 10.223 1.00 0.00 N ATOM 0 H ASN A 21 46.030 -10.392 7.017 1.00 0.00 H new ATOM 0 HA ASN A 21 43.622 -12.224 7.172 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.778 -10.092 9.059 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.133 -10.679 9.200 1.00 0.00 H new ATOM 0 HD21 ASN A 21 44.095 -13.773 10.748 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.773 -12.767 10.145 1.00 0.00 H new ATOM 329 N ALA A 22 43.875 -8.987 6.622 1.00 0.00 N ATOM 330 CA ALA A 22 43.210 -7.870 5.881 1.00 0.00 C ATOM 331 C ALA A 22 44.096 -6.621 5.899 1.00 0.00 C ATOM 332 O ALA A 22 44.204 -5.911 4.917 1.00 0.00 O ATOM 333 CB ALA A 22 41.903 -7.606 6.632 1.00 0.00 C ATOM 0 H ALA A 22 44.720 -8.723 7.129 1.00 0.00 H new ATOM 0 HA ALA A 22 43.033 -8.123 4.836 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.360 -6.796 6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.291 -8.508 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.125 -7.325 7.661 1.00 0.00 H new ATOM 339 N ASN A 23 44.724 -6.352 7.012 1.00 0.00 N ATOM 340 CA ASN A 23 45.608 -5.147 7.113 1.00 0.00 C ATOM 341 C ASN A 23 46.738 -5.199 6.098 1.00 0.00 C ATOM 342 O ASN A 23 46.897 -4.318 5.276 1.00 0.00 O ATOM 343 CB ASN A 23 46.213 -5.200 8.508 1.00 0.00 C ATOM 344 CG ASN A 23 45.345 -4.402 9.482 1.00 0.00 C ATOM 345 OD1 ASN A 23 45.842 -3.577 10.222 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.058 -4.614 9.515 1.00 0.00 N ATOM 0 H ASN A 23 44.665 -6.915 7.860 1.00 0.00 H new ATOM 0 HA ASN A 23 45.035 -4.239 6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.291 -6.235 8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.224 -4.793 8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.471 -4.087 10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 23 43.639 -5.306 8.894 1.00 0.00 H new ATOM 353 N ASP A 24 47.554 -6.210 6.197 1.00 0.00 N ATOM 354 CA ASP A 24 48.734 -6.333 5.291 1.00 0.00 C ATOM 355 C ASP A 24 48.354 -6.113 3.819 1.00 0.00 C ATOM 356 O ASP A 24 47.360 -6.625 3.341 1.00 0.00 O ATOM 357 CB ASP A 24 49.254 -7.756 5.500 1.00 0.00 C ATOM 358 CG ASP A 24 49.780 -7.904 6.929 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.321 -6.940 7.444 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.633 -8.982 7.484 1.00 0.00 O ATOM 0 H ASP A 24 47.454 -6.966 6.874 1.00 0.00 H new ATOM 0 HA ASP A 24 49.484 -5.576 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.456 -8.476 5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.048 -7.973 4.785 1.00 0.00 H new ATOM 365 N LEU A 25 49.151 -5.358 3.103 1.00 0.00 N ATOM 366 CA LEU A 25 48.856 -5.103 1.663 1.00 0.00 C ATOM 367 C LEU A 25 49.521 -6.185 0.807 1.00 0.00 C ATOM 368 O LEU A 25 50.555 -6.716 1.165 1.00 0.00 O ATOM 369 CB LEU A 25 49.456 -3.721 1.366 1.00 0.00 C ATOM 370 CG LEU A 25 49.095 -3.306 -0.066 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.683 -2.711 -0.089 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.090 -2.255 -0.566 1.00 0.00 C ATOM 0 H LEU A 25 49.995 -4.907 3.457 1.00 0.00 H new ATOM 0 HA LEU A 25 47.789 -5.127 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.075 -2.987 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.539 -3.749 1.486 1.00 0.00 H new ATOM 0 HG LEU A 25 49.135 -4.183 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.429 -2.417 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.969 -3.455 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.646 -1.837 0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.830 -1.963 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 25 50.052 -1.380 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.097 -2.673 -0.554 1.00 0.00 H new ATOM 384 N GLN A 26 48.932 -6.523 -0.312 1.00 0.00 N ATOM 385 CA GLN A 26 49.527 -7.582 -1.187 1.00 0.00 C ATOM 386 C GLN A 26 50.672 -7.005 -2.016 1.00 0.00 C ATOM 387 O GLN A 26 50.479 -6.541 -3.123 1.00 0.00 O ATOM 388 CB GLN A 26 48.383 -8.041 -2.094 1.00 0.00 C ATOM 389 CG GLN A 26 48.842 -9.236 -2.931 1.00 0.00 C ATOM 390 CD GLN A 26 47.866 -9.455 -4.087 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.338 -8.511 -4.639 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.603 -10.671 -4.480 1.00 0.00 N ATOM 0 H GLN A 26 48.065 -6.112 -0.659 1.00 0.00 H new ATOM 0 HA GLN A 26 49.942 -8.407 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.516 -8.316 -1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.072 -7.225 -2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.846 -9.059 -3.317 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.893 -10.130 -2.310 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.046 -11.464 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.954 -10.829 -5.251 1.00 0.00 H new ATOM 401 N LEU A 27 51.865 -7.036 -1.482 1.00 0.00 N ATOM 402 CA LEU A 27 53.037 -6.496 -2.221 1.00 0.00 C ATOM 403 C LEU A 27 53.664 -7.587 -3.101 1.00 0.00 C ATOM 404 O LEU A 27 53.080 -8.628 -3.329 1.00 0.00 O ATOM 405 CB LEU A 27 54.002 -6.039 -1.125 1.00 0.00 C ATOM 406 CG LEU A 27 53.541 -4.687 -0.587 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.509 -4.908 0.520 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.744 -3.923 -0.027 1.00 0.00 C ATOM 0 H LEU A 27 52.076 -7.416 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 27 52.773 -5.681 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.032 -6.774 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.014 -5.960 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 27 53.090 -4.107 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.178 -3.944 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.654 -5.451 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.959 -5.487 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.415 -2.957 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.198 -4.499 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.477 -3.768 -0.819 1.00 0.00 H new ATOM 420 N ARG A 28 54.843 -7.338 -3.605 1.00 0.00 N ATOM 421 CA ARG A 28 55.533 -8.326 -4.485 1.00 0.00 C ATOM 422 C ARG A 28 56.969 -7.861 -4.727 1.00 0.00 C ATOM 423 O ARG A 28 57.515 -7.097 -3.952 1.00 0.00 O ATOM 424 CB ARG A 28 54.735 -8.319 -5.794 1.00 0.00 C ATOM 425 CG ARG A 28 54.594 -9.749 -6.318 1.00 0.00 C ATOM 426 CD ARG A 28 53.514 -9.793 -7.400 1.00 0.00 C ATOM 427 NE ARG A 28 52.226 -9.856 -6.656 1.00 0.00 N ATOM 428 CZ ARG A 28 51.244 -9.061 -6.980 1.00 0.00 C ATOM 429 NH1 ARG A 28 50.836 -8.999 -8.218 1.00 0.00 N ATOM 430 NH2 ARG A 28 50.670 -8.327 -6.066 1.00 0.00 N ATOM 0 H ARG A 28 55.366 -6.477 -3.441 1.00 0.00 H new ATOM 0 HA ARG A 28 55.578 -9.325 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.750 -7.883 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.238 -7.698 -6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.545 -10.094 -6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.333 -10.422 -5.502 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.558 -8.910 -8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.639 -10.661 -8.047 1.00 0.00 H new ATOM 0 HE ARG A 28 52.111 -10.522 -5.892 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.285 -9.572 -8.932 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.068 -8.377 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 28 50.989 -8.375 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.902 -7.705 -6.319 1.00 0.00 H new ATOM 444 N LYS A 29 57.580 -8.304 -5.793 1.00 0.00 N ATOM 445 CA LYS A 29 58.973 -7.874 -6.084 1.00 0.00 C ATOM 446 C LYS A 29 59.030 -7.109 -7.414 1.00 0.00 C ATOM 447 O LYS A 29 58.575 -7.582 -8.438 1.00 0.00 O ATOM 448 CB LYS A 29 59.803 -9.170 -6.121 1.00 0.00 C ATOM 449 CG LYS A 29 59.515 -9.952 -7.405 1.00 0.00 C ATOM 450 CD LYS A 29 59.621 -11.453 -7.132 1.00 0.00 C ATOM 451 CE LYS A 29 58.234 -12.013 -6.811 1.00 0.00 C ATOM 452 NZ LYS A 29 58.431 -13.486 -6.697 1.00 0.00 N ATOM 0 H LYS A 29 57.172 -8.945 -6.473 1.00 0.00 H new ATOM 0 HA LYS A 29 59.364 -7.189 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.865 -8.931 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.567 -9.785 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 29 58.518 -9.710 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 29 60.221 -9.664 -8.183 1.00 0.00 H new ATOM 0 HD2 LYS A 29 60.038 -11.963 -8.000 1.00 0.00 H new ATOM 0 HD3 LYS A 29 60.300 -11.635 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 29 57.844 -11.594 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 29 57.518 -11.770 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 57.979 -13.960 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 59.449 -13.701 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 58.003 -13.826 -5.812 1.00 0.00 H new ATOM 466 N GLY A 30 59.581 -5.928 -7.389 1.00 0.00 N ATOM 467 CA GLY A 30 59.677 -5.102 -8.629 1.00 0.00 C ATOM 468 C GLY A 30 58.444 -4.198 -8.759 1.00 0.00 C ATOM 469 O GLY A 30 58.491 -3.176 -9.419 1.00 0.00 O ATOM 0 H GLY A 30 59.974 -5.493 -6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.581 -4.494 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.756 -5.750 -9.502 1.00 0.00 H new ATOM 473 N ASP A 31 57.345 -4.558 -8.139 1.00 0.00 N ATOM 474 CA ASP A 31 56.120 -3.715 -8.231 1.00 0.00 C ATOM 475 C ASP A 31 56.245 -2.520 -7.286 1.00 0.00 C ATOM 476 O ASP A 31 57.088 -2.505 -6.415 1.00 0.00 O ATOM 477 CB ASP A 31 54.969 -4.625 -7.797 1.00 0.00 C ATOM 478 CG ASP A 31 53.713 -4.281 -8.600 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.827 -4.130 -9.805 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.658 -4.175 -7.995 1.00 0.00 O ATOM 0 H ASP A 31 57.248 -5.401 -7.573 1.00 0.00 H new ATOM 0 HA ASP A 31 55.962 -3.320 -9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.239 -5.669 -7.954 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.777 -4.502 -6.731 1.00 0.00 H new ATOM 485 N GLU A 32 55.418 -1.520 -7.451 1.00 0.00 N ATOM 486 CA GLU A 32 55.499 -0.326 -6.551 1.00 0.00 C ATOM 487 C GLU A 32 54.095 0.005 -6.036 1.00 0.00 C ATOM 488 O GLU A 32 53.112 -0.471 -6.573 1.00 0.00 O ATOM 489 CB GLU A 32 56.060 0.828 -7.403 1.00 0.00 C ATOM 490 CG GLU A 32 57.200 0.346 -8.313 1.00 0.00 C ATOM 491 CD GLU A 32 56.620 -0.157 -9.636 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.020 0.640 -10.339 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.784 -1.332 -9.924 1.00 0.00 O ATOM 0 H GLU A 32 54.692 -1.476 -8.166 1.00 0.00 H new ATOM 0 HA GLU A 32 56.140 -0.503 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.262 1.255 -8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.423 1.622 -6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.901 1.160 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.759 -0.451 -7.822 1.00 0.00 H new ATOM 500 N TYR A 33 53.991 0.770 -4.976 1.00 0.00 N ATOM 501 CA TYR A 33 52.644 1.071 -4.407 1.00 0.00 C ATOM 502 C TYR A 33 52.438 2.572 -4.199 1.00 0.00 C ATOM 503 O TYR A 33 53.247 3.393 -4.594 1.00 0.00 O ATOM 504 CB TYR A 33 52.611 0.354 -3.052 1.00 0.00 C ATOM 505 CG TYR A 33 53.217 -1.029 -3.172 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.573 -2.007 -3.935 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.437 -1.311 -2.553 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.150 -3.271 -4.079 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.013 -2.577 -2.691 1.00 0.00 C ATOM 510 CZ TYR A 33 54.370 -3.554 -3.457 1.00 0.00 C ATOM 511 OH TYR A 33 54.942 -4.793 -3.610 1.00 0.00 O ATOM 0 H TYR A 33 54.777 1.196 -4.484 1.00 0.00 H new ATOM 0 HA TYR A 33 51.855 0.741 -5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.160 0.936 -2.312 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.583 0.278 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.630 -1.786 -4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 33 54.935 -0.552 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.655 -4.028 -4.669 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.952 -2.800 -2.207 1.00 0.00 H new ATOM 0 HH TYR A 33 54.910 -5.054 -4.554 1.00 0.00 H new ATOM 521 N PHE A 34 51.347 2.917 -3.569 1.00 0.00 N ATOM 522 CA PHE A 34 51.030 4.355 -3.303 1.00 0.00 C ATOM 523 C PHE A 34 50.874 4.598 -1.799 1.00 0.00 C ATOM 524 O PHE A 34 50.173 3.877 -1.122 1.00 0.00 O ATOM 525 CB PHE A 34 49.701 4.594 -4.016 1.00 0.00 C ATOM 526 CG PHE A 34 49.960 5.068 -5.426 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.253 4.138 -6.433 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.908 6.433 -5.728 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.492 4.577 -7.741 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.149 6.871 -7.036 1.00 0.00 C ATOM 531 CZ PHE A 34 50.441 5.943 -8.042 1.00 0.00 C ATOM 0 H PHE A 34 50.652 2.256 -3.222 1.00 0.00 H new ATOM 0 HA PHE A 34 51.817 5.023 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.115 3.675 -4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.114 5.336 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.294 3.084 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.682 7.149 -4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.716 3.861 -8.518 1.00 0.00 H new ATOM 0 HE2 PHE A 34 50.110 7.925 -7.268 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.627 6.281 -9.051 1.00 0.00 H new ATOM 541 N ILE A 35 51.527 5.607 -1.274 1.00 0.00 N ATOM 542 CA ILE A 35 51.430 5.894 0.193 1.00 0.00 C ATOM 543 C ILE A 35 50.230 6.801 0.512 1.00 0.00 C ATOM 544 O ILE A 35 49.777 7.578 -0.306 1.00 0.00 O ATOM 545 CB ILE A 35 52.757 6.593 0.535 1.00 0.00 C ATOM 546 CG1 ILE A 35 53.917 5.601 0.351 1.00 0.00 C ATOM 547 CG2 ILE A 35 52.744 7.101 1.986 1.00 0.00 C ATOM 548 CD1 ILE A 35 53.765 4.411 1.313 1.00 0.00 C ATOM 0 H ILE A 35 52.124 6.246 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 35 51.274 4.987 0.777 1.00 0.00 H new ATOM 0 HB ILE A 35 52.886 7.445 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 35 53.938 5.244 -0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 35 54.866 6.105 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 35 53.691 7.592 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 35 51.928 7.812 2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 35 52.604 6.260 2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.595 3.719 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 35 53.768 4.772 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 35 52.825 3.898 1.111 1.00 0.00 H new ATOM 560 N LEU A 36 49.735 6.700 1.718 1.00 0.00 N ATOM 561 CA LEU A 36 48.580 7.539 2.157 1.00 0.00 C ATOM 562 C LEU A 36 48.993 8.313 3.414 1.00 0.00 C ATOM 563 O LEU A 36 48.804 9.508 3.525 1.00 0.00 O ATOM 564 CB LEU A 36 47.462 6.541 2.504 1.00 0.00 C ATOM 565 CG LEU A 36 46.749 6.023 1.243 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.232 7.187 0.395 1.00 0.00 C ATOM 567 CD2 LEU A 36 47.716 5.174 0.417 1.00 0.00 C ATOM 0 H LEU A 36 50.089 6.060 2.429 1.00 0.00 H new ATOM 0 HA LEU A 36 48.261 8.252 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.883 5.700 3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 36 46.737 7.021 3.161 1.00 0.00 H new ATOM 0 HG LEU A 36 45.899 5.415 1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 36 45.731 6.797 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 36 45.527 7.778 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.069 7.816 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 36 47.208 4.809 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 36 48.573 5.780 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 36 48.057 4.327 1.013 1.00 0.00 H new ATOM 579 N GLU A 37 49.573 7.614 4.349 1.00 0.00 N ATOM 580 CA GLU A 37 50.043 8.239 5.620 1.00 0.00 C ATOM 581 C GLU A 37 51.229 7.417 6.127 1.00 0.00 C ATOM 582 O GLU A 37 51.836 6.720 5.351 1.00 0.00 O ATOM 583 CB GLU A 37 48.850 8.159 6.579 1.00 0.00 C ATOM 584 CG GLU A 37 48.278 9.559 6.810 1.00 0.00 C ATOM 585 CD GLU A 37 47.012 9.460 7.665 1.00 0.00 C ATOM 586 OE1 GLU A 37 46.190 8.607 7.374 1.00 0.00 O ATOM 587 OE2 GLU A 37 46.887 10.240 8.594 1.00 0.00 O ATOM 0 H GLU A 37 49.746 6.611 4.285 1.00 0.00 H new ATOM 0 HA GLU A 37 50.369 9.273 5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 37 48.082 7.506 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.162 7.722 7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.017 10.188 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.048 10.031 5.855 1.00 0.00 H new ATOM 653 N PRO A 42 58.509 2.671 10.188 1.00 0.00 N ATOM 654 CA PRO A 42 58.818 1.675 9.120 1.00 0.00 C ATOM 655 C PRO A 42 57.575 1.235 8.325 1.00 0.00 C ATOM 656 O PRO A 42 57.558 1.305 7.110 1.00 0.00 O ATOM 657 CB PRO A 42 59.389 0.495 9.918 1.00 0.00 C ATOM 658 CG PRO A 42 59.382 0.853 11.415 1.00 0.00 C ATOM 659 CD PRO A 42 58.861 2.279 11.583 1.00 0.00 C ATOM 0 HA PRO A 42 59.492 2.081 8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.794 -0.401 9.742 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.404 0.274 9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.752 0.155 11.966 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.388 0.769 11.827 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.995 2.318 12.244 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.617 2.938 12.009 1.00 0.00 H new ATOM 667 N TRP A 43 56.562 0.744 8.992 1.00 0.00 N ATOM 668 CA TRP A 43 55.343 0.250 8.268 1.00 0.00 C ATOM 669 C TRP A 43 54.424 1.407 7.853 1.00 0.00 C ATOM 670 O TRP A 43 54.063 2.240 8.661 1.00 0.00 O ATOM 671 CB TRP A 43 54.618 -0.647 9.279 1.00 0.00 C ATOM 672 CG TRP A 43 55.504 -1.761 9.728 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.367 -1.667 10.750 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.618 -3.123 9.218 1.00 0.00 C ATOM 675 NE1 TRP A 43 57.021 -2.875 10.907 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.592 -3.807 9.986 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.984 -3.825 8.176 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.923 -5.138 9.730 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.316 -5.165 7.919 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.283 -5.819 8.694 1.00 0.00 C ATOM 0 H TRP A 43 56.523 0.662 10.008 1.00 0.00 H new ATOM 0 HA TRP A 43 55.616 -0.274 7.352 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.306 -0.055 10.139 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.714 -1.055 8.828 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.526 -0.787 11.355 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.732 -3.054 11.616 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.238 -3.331 7.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.669 -5.638 10.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.822 -5.695 7.118 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.533 -6.850 8.490 1.00 0.00 H new ATOM 691 N TRP A 44 54.024 1.449 6.601 1.00 0.00 N ATOM 692 CA TRP A 44 53.109 2.534 6.141 1.00 0.00 C ATOM 693 C TRP A 44 51.705 1.972 5.892 1.00 0.00 C ATOM 694 O TRP A 44 51.406 0.834 6.200 1.00 0.00 O ATOM 695 CB TRP A 44 53.658 3.022 4.801 1.00 0.00 C ATOM 696 CG TRP A 44 55.076 3.462 4.899 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.637 4.218 5.878 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.118 3.200 3.934 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.984 4.383 5.579 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.322 3.778 4.385 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.124 2.502 2.722 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.501 3.667 3.648 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.295 2.390 1.974 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.489 2.970 2.435 1.00 0.00 C ATOM 0 H TRP A 44 54.294 0.777 5.882 1.00 0.00 H new ATOM 0 HA TRP A 44 53.051 3.326 6.888 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.578 2.222 4.065 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.047 3.849 4.440 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.125 4.621 6.739 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.643 4.890 6.170 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.213 2.046 2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.415 4.115 4.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.284 1.855 1.036 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.395 2.878 1.854 1.00 0.00 H new ATOM 715 N ARG A 45 50.872 2.763 5.277 1.00 0.00 N ATOM 716 CA ARG A 45 49.500 2.320 4.917 1.00 0.00 C ATOM 717 C ARG A 45 49.300 2.692 3.449 1.00 0.00 C ATOM 718 O ARG A 45 48.559 3.593 3.115 1.00 0.00 O ATOM 719 CB ARG A 45 48.553 3.108 5.820 1.00 0.00 C ATOM 720 CG ARG A 45 47.230 2.353 5.956 1.00 0.00 C ATOM 721 CD ARG A 45 46.082 3.356 6.097 1.00 0.00 C ATOM 722 NE ARG A 45 45.127 2.717 7.046 1.00 0.00 N ATOM 723 CZ ARG A 45 44.672 3.391 8.066 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.268 4.621 7.907 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.620 2.833 9.245 1.00 0.00 N ATOM 0 H ARG A 45 51.092 3.721 5.003 1.00 0.00 H new ATOM 0 HA ARG A 45 49.326 1.252 5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.005 3.251 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.377 4.099 5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.069 1.720 5.083 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.262 1.696 6.825 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.438 4.313 6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.610 3.553 5.135 1.00 0.00 H new ATOM 0 HE ARG A 45 44.829 1.753 6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.308 5.056 6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.912 5.148 8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.935 1.871 9.368 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.264 3.359 10.043 1.00 0.00 H new ATOM 739 N ALA A 46 50.018 2.032 2.582 1.00 0.00 N ATOM 740 CA ALA A 46 49.962 2.357 1.131 1.00 0.00 C ATOM 741 C ALA A 46 49.041 1.397 0.378 1.00 0.00 C ATOM 742 O ALA A 46 48.734 0.318 0.847 1.00 0.00 O ATOM 743 CB ALA A 46 51.419 2.201 0.651 1.00 0.00 C ATOM 0 H ALA A 46 50.651 1.269 2.823 1.00 0.00 H new ATOM 0 HA ALA A 46 49.562 3.355 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.477 2.422 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.059 2.892 1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.753 1.179 0.828 1.00 0.00 H new ATOM 749 N ARG A 47 48.616 1.784 -0.800 1.00 0.00 N ATOM 750 CA ARG A 47 47.733 0.897 -1.608 1.00 0.00 C ATOM 751 C ARG A 47 48.510 0.345 -2.792 1.00 0.00 C ATOM 752 O ARG A 47 49.524 0.888 -3.185 1.00 0.00 O ATOM 753 CB ARG A 47 46.598 1.776 -2.116 1.00 0.00 C ATOM 754 CG ARG A 47 45.713 2.211 -0.953 1.00 0.00 C ATOM 755 CD ARG A 47 45.103 3.581 -1.263 1.00 0.00 C ATOM 756 NE ARG A 47 44.359 3.962 -0.032 1.00 0.00 N ATOM 757 CZ ARG A 47 43.120 4.367 -0.117 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.859 5.621 -0.365 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.144 3.517 0.045 1.00 0.00 N ATOM 0 H ARG A 47 48.845 2.678 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 47 47.362 0.059 -1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.004 2.652 -2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.005 1.230 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.923 1.478 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.298 2.261 -0.035 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.876 4.312 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.438 3.531 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 47 44.816 3.907 0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.622 6.285 -0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.891 5.937 -0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.348 2.537 0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.176 3.833 -0.021 1.00 0.00 H new ATOM 773 N ASP A 48 48.038 -0.723 -3.369 1.00 0.00 N ATOM 774 CA ASP A 48 48.745 -1.312 -4.537 1.00 0.00 C ATOM 775 C ASP A 48 48.103 -0.829 -5.845 1.00 0.00 C ATOM 776 O ASP A 48 47.500 0.226 -5.894 1.00 0.00 O ATOM 777 CB ASP A 48 48.595 -2.829 -4.360 1.00 0.00 C ATOM 778 CG ASP A 48 47.118 -3.241 -4.437 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.268 -2.406 -4.177 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.864 -4.391 -4.760 1.00 0.00 O ATOM 0 H ASP A 48 47.192 -1.214 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 48 49.793 -1.018 -4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.163 -3.348 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.012 -3.131 -3.399 1.00 0.00 H new ATOM 785 N LYS A 49 48.233 -1.593 -6.901 1.00 0.00 N ATOM 786 CA LYS A 49 47.634 -1.181 -8.207 1.00 0.00 C ATOM 787 C LYS A 49 46.240 -1.797 -8.381 1.00 0.00 C ATOM 788 O LYS A 49 45.760 -1.955 -9.487 1.00 0.00 O ATOM 789 CB LYS A 49 48.593 -1.720 -9.270 1.00 0.00 C ATOM 790 CG LYS A 49 49.805 -0.788 -9.390 1.00 0.00 C ATOM 791 CD LYS A 49 50.185 -0.619 -10.866 1.00 0.00 C ATOM 792 CE LYS A 49 50.614 0.828 -11.126 1.00 0.00 C ATOM 793 NZ LYS A 49 52.103 0.789 -11.158 1.00 0.00 N ATOM 0 H LYS A 49 48.728 -2.485 -6.915 1.00 0.00 H new ATOM 0 HA LYS A 49 47.509 -0.100 -8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.920 -2.725 -9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.083 -1.795 -10.230 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.574 0.183 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.647 -1.198 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.996 -1.301 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 49 49.338 -0.877 -11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 49 50.209 1.197 -12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 49 50.253 1.494 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 52.472 1.746 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 52.461 0.441 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 52.417 0.153 -11.919 1.00 0.00 H new ATOM 807 N ASN A 50 45.589 -2.143 -7.297 1.00 0.00 N ATOM 808 CA ASN A 50 44.232 -2.742 -7.390 1.00 0.00 C ATOM 809 C ASN A 50 43.186 -1.775 -6.828 1.00 0.00 C ATOM 810 O ASN A 50 42.037 -1.789 -7.228 1.00 0.00 O ATOM 811 CB ASN A 50 44.300 -4.014 -6.544 1.00 0.00 C ATOM 812 CG ASN A 50 45.145 -5.064 -7.266 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.249 -5.050 -8.476 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.757 -5.983 -6.569 1.00 0.00 N ATOM 0 H ASN A 50 45.947 -2.033 -6.348 1.00 0.00 H new ATOM 0 HA ASN A 50 43.944 -2.954 -8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.733 -3.792 -5.569 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.296 -4.399 -6.367 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.322 -6.689 -7.041 1.00 0.00 H new ATOM 0 HD22 ASN A 50 45.670 -5.995 -5.553 1.00 0.00 H new ATOM 821 N GLY A 51 43.579 -0.935 -5.904 1.00 0.00 N ATOM 822 CA GLY A 51 42.618 0.039 -5.308 1.00 0.00 C ATOM 823 C GLY A 51 42.356 -0.328 -3.845 1.00 0.00 C ATOM 824 O GLY A 51 41.300 -0.048 -3.309 1.00 0.00 O ATOM 0 H GLY A 51 44.529 -0.883 -5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.021 1.050 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.683 0.032 -5.868 1.00 0.00 H new ATOM 828 N GLN A 52 43.308 -0.954 -3.198 1.00 0.00 N ATOM 829 CA GLN A 52 43.120 -1.345 -1.772 1.00 0.00 C ATOM 830 C GLN A 52 44.339 -0.934 -0.942 1.00 0.00 C ATOM 831 O GLN A 52 45.469 -1.052 -1.384 1.00 0.00 O ATOM 832 CB GLN A 52 42.982 -2.866 -1.802 1.00 0.00 C ATOM 833 CG GLN A 52 41.507 -3.243 -1.952 1.00 0.00 C ATOM 834 CD GLN A 52 41.314 -4.711 -1.568 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.536 -5.088 -0.434 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.907 -5.562 -2.469 1.00 0.00 N ATOM 0 H GLN A 52 44.210 -1.211 -3.600 1.00 0.00 H new ATOM 0 HA GLN A 52 42.254 -0.861 -1.320 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.559 -3.278 -2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.387 -3.296 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 52 40.891 -2.606 -1.317 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.181 -3.079 -2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.720 -5.247 -3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.775 -6.543 -2.222 1.00 0.00 H new ATOM 845 N GLU A 53 44.115 -0.455 0.257 1.00 0.00 N ATOM 846 CA GLU A 53 45.256 -0.034 1.128 1.00 0.00 C ATOM 847 C GLU A 53 45.624 -1.161 2.098 1.00 0.00 C ATOM 848 O GLU A 53 44.821 -2.029 2.386 1.00 0.00 O ATOM 849 CB GLU A 53 44.755 1.201 1.892 1.00 0.00 C ATOM 850 CG GLU A 53 43.525 0.844 2.742 1.00 0.00 C ATOM 851 CD GLU A 53 43.853 1.008 4.229 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.664 2.100 4.741 1.00 0.00 O ATOM 853 OE2 GLU A 53 44.290 0.040 4.829 1.00 0.00 O ATOM 0 H GLU A 53 43.190 -0.337 0.671 1.00 0.00 H new ATOM 0 HA GLU A 53 46.152 0.191 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.548 1.586 2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.501 1.993 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.687 1.487 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.218 -0.182 2.540 1.00 0.00 H new ATOM 860 N GLY A 54 46.829 -1.147 2.605 1.00 0.00 N ATOM 861 CA GLY A 54 47.258 -2.208 3.561 1.00 0.00 C ATOM 862 C GLY A 54 48.592 -1.789 4.165 1.00 0.00 C ATOM 863 O GLY A 54 48.930 -0.626 4.145 1.00 0.00 O ATOM 0 H GLY A 54 47.537 -0.443 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.511 -2.340 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.356 -3.165 3.049 1.00 0.00 H new ATOM 867 N TYR A 55 49.355 -2.710 4.698 1.00 0.00 N ATOM 868 CA TYR A 55 50.661 -2.314 5.300 1.00 0.00 C ATOM 869 C TYR A 55 51.831 -2.588 4.351 1.00 0.00 C ATOM 870 O TYR A 55 51.839 -3.544 3.601 1.00 0.00 O ATOM 871 CB TYR A 55 50.793 -3.137 6.582 1.00 0.00 C ATOM 872 CG TYR A 55 50.189 -2.373 7.736 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.847 -1.978 7.688 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.971 -2.058 8.854 1.00 0.00 C ATOM 875 CE1 TYR A 55 48.287 -1.270 8.758 1.00 0.00 C ATOM 876 CE2 TYR A 55 50.412 -1.350 9.923 1.00 0.00 C ATOM 877 CZ TYR A 55 49.069 -0.956 9.875 1.00 0.00 C ATOM 878 OH TYR A 55 48.517 -0.257 10.930 1.00 0.00 O ATOM 0 H TYR A 55 49.133 -3.705 4.742 1.00 0.00 H new ATOM 0 HA TYR A 55 50.688 -1.243 5.502 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.289 -4.097 6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.843 -3.350 6.783 1.00 0.00 H new ATOM 0 HD1 TYR A 55 48.244 -2.219 6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 55 52.007 -2.362 8.891 1.00 0.00 H new ATOM 0 HE1 TYR A 55 47.251 -0.966 8.721 1.00 0.00 H new ATOM 0 HE2 TYR A 55 51.016 -1.107 10.785 1.00 0.00 H new ATOM 0 HH TYR A 55 49.195 -0.123 11.624 1.00 0.00 H new ATOM 888 N ILE A 56 52.819 -1.733 4.392 1.00 0.00 N ATOM 889 CA ILE A 56 54.018 -1.883 3.516 1.00 0.00 C ATOM 890 C ILE A 56 55.294 -1.693 4.377 1.00 0.00 C ATOM 891 O ILE A 56 55.654 -0.568 4.667 1.00 0.00 O ATOM 892 CB ILE A 56 53.863 -0.748 2.481 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.832 -1.158 1.433 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.187 -0.452 1.774 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.427 -0.861 1.953 1.00 0.00 C ATOM 0 H ILE A 56 52.845 -0.921 5.008 1.00 0.00 H new ATOM 0 HA ILE A 56 54.101 -2.858 3.036 1.00 0.00 H new ATOM 0 HB ILE A 56 53.542 0.149 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 56 53.009 -0.617 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.930 -2.220 1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.042 0.352 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.932 -0.149 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.531 -1.347 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.692 -1.154 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.253 -1.422 2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.332 0.206 2.156 1.00 0.00 H new ATOM 907 N PRO A 57 55.952 -2.778 4.765 1.00 0.00 N ATOM 908 CA PRO A 57 57.185 -2.649 5.585 1.00 0.00 C ATOM 909 C PRO A 57 58.239 -1.824 4.836 1.00 0.00 C ATOM 910 O PRO A 57 58.552 -2.102 3.696 1.00 0.00 O ATOM 911 CB PRO A 57 57.637 -4.106 5.750 1.00 0.00 C ATOM 912 CG PRO A 57 56.643 -5.020 5.009 1.00 0.00 C ATOM 913 CD PRO A 57 55.521 -4.161 4.423 1.00 0.00 C ATOM 0 HA PRO A 57 57.030 -2.140 6.536 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.642 -4.237 5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.678 -4.371 6.806 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.153 -5.566 4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.231 -5.762 5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.425 -4.300 3.346 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.554 -4.404 4.863 1.00 0.00 H new ATOM 921 N SER A 58 58.776 -0.806 5.464 1.00 0.00 N ATOM 922 CA SER A 58 59.804 0.056 4.787 1.00 0.00 C ATOM 923 C SER A 58 60.955 -0.788 4.222 1.00 0.00 C ATOM 924 O SER A 58 61.380 -0.594 3.098 1.00 0.00 O ATOM 925 CB SER A 58 60.322 0.992 5.879 1.00 0.00 C ATOM 926 OG SER A 58 59.552 2.186 5.880 1.00 0.00 O ATOM 0 H SER A 58 58.548 -0.532 6.420 1.00 0.00 H new ATOM 0 HA SER A 58 59.376 0.597 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.259 0.504 6.852 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.373 1.224 5.706 1.00 0.00 H new ATOM 0 HG SER A 58 59.147 2.315 4.997 1.00 0.00 H new ATOM 932 N ASN A 59 61.462 -1.715 4.993 1.00 0.00 N ATOM 933 CA ASN A 59 62.591 -2.571 4.508 1.00 0.00 C ATOM 934 C ASN A 59 62.172 -3.343 3.255 1.00 0.00 C ATOM 935 O ASN A 59 62.943 -3.541 2.336 1.00 0.00 O ATOM 936 CB ASN A 59 62.890 -3.523 5.677 1.00 0.00 C ATOM 937 CG ASN A 59 61.754 -4.540 5.868 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.661 -4.183 6.257 1.00 0.00 O ATOM 939 ND2 ASN A 59 61.976 -5.800 5.609 1.00 0.00 N ATOM 0 H ASN A 59 61.143 -1.918 5.940 1.00 0.00 H new ATOM 0 HA ASN A 59 63.469 -1.989 4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.826 -4.050 5.491 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.025 -2.948 6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.231 -6.485 5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 59 62.895 -6.099 5.282 1.00 0.00 H new ATOM 946 N TYR A 60 60.949 -3.785 3.238 1.00 0.00 N ATOM 947 CA TYR A 60 60.433 -4.566 2.067 1.00 0.00 C ATOM 948 C TYR A 60 60.113 -3.658 0.863 1.00 0.00 C ATOM 949 O TYR A 60 59.627 -4.131 -0.147 1.00 0.00 O ATOM 950 CB TYR A 60 59.151 -5.232 2.576 1.00 0.00 C ATOM 951 CG TYR A 60 59.460 -6.629 3.061 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.986 -7.576 2.176 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.217 -6.976 4.396 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.271 -8.872 2.625 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.503 -8.272 4.845 1.00 0.00 C ATOM 956 CZ TYR A 60 60.029 -9.219 3.959 1.00 0.00 C ATOM 957 OH TYR A 60 60.311 -10.496 4.402 1.00 0.00 O ATOM 0 H TYR A 60 60.273 -3.641 3.988 1.00 0.00 H new ATOM 0 HA TYR A 60 61.176 -5.282 1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.720 -4.643 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.408 -5.269 1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.172 -7.308 1.147 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.809 -6.245 5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.677 -9.603 1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.318 -8.540 5.875 1.00 0.00 H new ATOM 0 HH TYR A 60 60.086 -10.570 5.353 1.00 0.00 H new ATOM 967 N VAL A 61 60.374 -2.373 0.950 1.00 0.00 N ATOM 968 CA VAL A 61 60.074 -1.463 -0.204 1.00 0.00 C ATOM 969 C VAL A 61 61.110 -0.339 -0.299 1.00 0.00 C ATOM 970 O VAL A 61 61.986 -0.212 0.535 1.00 0.00 O ATOM 971 CB VAL A 61 58.696 -0.861 0.077 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.639 -1.967 0.074 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.702 -0.155 1.436 1.00 0.00 C ATOM 0 H VAL A 61 60.780 -1.917 1.767 1.00 0.00 H new ATOM 0 HA VAL A 61 60.100 -2.013 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 61 58.459 -0.135 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.659 -1.534 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.627 -2.456 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.877 -2.700 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.717 0.271 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.946 -0.874 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.447 0.641 1.429 1.00 0.00 H new ATOM 983 N THR A 62 60.988 0.487 -1.303 1.00 0.00 N ATOM 984 CA THR A 62 61.931 1.631 -1.468 1.00 0.00 C ATOM 985 C THR A 62 61.206 2.764 -2.215 1.00 0.00 C ATOM 986 O THR A 62 60.028 2.975 -2.013 1.00 0.00 O ATOM 987 CB THR A 62 63.115 1.071 -2.271 1.00 0.00 C ATOM 988 OG1 THR A 62 64.066 2.104 -2.486 1.00 0.00 O ATOM 989 CG2 THR A 62 62.632 0.536 -3.619 1.00 0.00 C ATOM 0 H THR A 62 60.269 0.417 -2.023 1.00 0.00 H new ATOM 0 HA THR A 62 62.281 2.047 -0.523 1.00 0.00 H new ATOM 0 HB THR A 62 63.573 0.256 -1.710 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.294 2.146 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.480 0.142 -4.179 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.904 -0.259 -3.455 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.167 1.343 -4.185 1.00 0.00 H new ATOM 997 N GLU A 63 61.883 3.493 -3.066 1.00 0.00 N ATOM 998 CA GLU A 63 61.210 4.602 -3.807 1.00 0.00 C ATOM 999 C GLU A 63 60.464 4.055 -5.028 1.00 0.00 C ATOM 1000 O GLU A 63 60.937 3.167 -5.709 1.00 0.00 O ATOM 1001 CB GLU A 63 62.337 5.541 -4.238 1.00 0.00 C ATOM 1002 CG GLU A 63 61.839 6.988 -4.207 1.00 0.00 C ATOM 1003 CD GLU A 63 63.035 7.941 -4.249 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.042 7.624 -3.636 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.924 8.971 -4.892 1.00 0.00 O ATOM 0 H GLU A 63 62.873 3.368 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 63 60.470 5.114 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.194 5.426 -3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.675 5.283 -5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.181 7.176 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.253 7.163 -3.305 1.00 0.00 H new ATOM 1012 N ALA A 64 59.297 4.584 -5.304 1.00 0.00 N ATOM 1013 CA ALA A 64 58.494 4.103 -6.475 1.00 0.00 C ATOM 1014 C ALA A 64 59.334 4.115 -7.760 1.00 0.00 C ATOM 1015 O ALA A 64 59.089 3.356 -8.678 1.00 0.00 O ATOM 1016 CB ALA A 64 57.331 5.090 -6.593 1.00 0.00 C ATOM 0 H ALA A 64 58.862 5.333 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 64 58.154 3.077 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.695 4.804 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.747 5.076 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.721 6.094 -6.759 1.00 0.00 H new