USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 882 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 Set 1.1: A 12 CYS SG : rot -90:sc= -4.62! USER MOD Set 1.2: A 122 SER OG : rot -93:sc= 0.541 USER MOD Single : A 9 SER OG : rot -110:sc= 1.3 USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 0.245 (180deg=0.128) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 30:sc= -2.13! USER MOD Single : A 34 SER OG : rot 180:sc= -0.276 USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= -0.0294 (180deg=-0.287) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0521 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= -0.0258 (180deg=-0.174) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.419) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.4) USER MOD Single : A 76 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.6!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -88:sc= -2.85! USER MOD Single : A 88 SER OG : rot 180:sc=-0.00219 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -6.22! C(o=-6.2!,f=-12!) USER MOD Single : A 100 THR OG1 : rot -77:sc= 1.05 USER MOD Single : A 103 SER OG : rot 150:sc= -0.615 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 120 ASN : amide:sc= 0.379 X(o=0.38,f=0) USER MOD Single : A 124 GLN : amide:sc= -1.57 K(o=-1.6,f=-6.3!) USER MOD Single : A 126 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-4.3!) USER MOD Single : A 128 LYS NZ :NH3+ 153:sc= -0.397 (180deg=-1.84!) USER MOD ----------------------------------------------------------------- ATOM 125 N SER A 9 3.814 14.900 4.634 1.00 0.00 N ATOM 126 CA SER A 9 2.818 13.836 4.691 1.00 0.00 C ATOM 127 C SER A 9 2.616 13.207 3.318 1.00 0.00 C ATOM 128 O SER A 9 2.336 13.904 2.343 1.00 0.00 O ATOM 129 CB SER A 9 1.486 14.374 5.215 1.00 0.00 C ATOM 130 OG SER A 9 1.664 15.064 6.435 1.00 0.00 O ATOM 0 HA SER A 9 3.185 13.071 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.044 15.042 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.787 13.550 5.358 1.00 0.00 H new ATOM 0 HG SER A 9 1.268 14.544 7.166 1.00 0.00 H new ATOM 136 N VAL A 10 2.763 11.888 3.248 1.00 0.00 N ATOM 137 CA VAL A 10 2.599 11.158 1.987 1.00 0.00 C ATOM 138 C VAL A 10 1.222 11.410 1.343 1.00 0.00 C ATOM 139 O VAL A 10 1.115 11.478 0.118 1.00 0.00 O ATOM 140 CB VAL A 10 2.791 9.640 2.196 1.00 0.00 C ATOM 141 CG1 VAL A 10 4.220 9.330 2.630 1.00 0.00 C ATOM 142 CG2 VAL A 10 1.785 9.104 3.208 1.00 0.00 C ATOM 0 H VAL A 10 2.995 11.299 4.048 1.00 0.00 H new ATOM 0 HA VAL A 10 3.368 11.534 1.312 1.00 0.00 H new ATOM 0 HB VAL A 10 2.612 9.139 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.332 8.255 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.915 9.670 1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.435 9.844 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.938 8.033 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.924 9.611 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.773 9.284 2.845 1.00 0.00 H new ATOM 152 N LEU A 11 0.172 11.537 2.163 1.00 0.00 N ATOM 153 CA LEU A 11 -1.189 11.774 1.677 1.00 0.00 C ATOM 154 C LEU A 11 -1.556 10.880 0.498 1.00 0.00 C ATOM 155 O LEU A 11 -2.291 11.298 -0.396 1.00 0.00 O ATOM 156 CB LEU A 11 -1.411 13.249 1.304 1.00 0.00 C ATOM 157 CG LEU A 11 -0.345 13.904 0.418 1.00 0.00 C ATOM 158 CD1 LEU A 11 -0.610 13.622 -1.053 1.00 0.00 C ATOM 159 CD2 LEU A 11 -0.308 15.403 0.668 1.00 0.00 C ATOM 0 H LEU A 11 0.243 11.478 3.179 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.849 11.518 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.372 13.330 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.488 13.825 2.226 1.00 0.00 H new ATOM 0 HG LEU A 11 0.624 13.476 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.161 14.098 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.594 12.546 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.586 14.020 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.452 15.859 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.281 15.835 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.068 15.592 1.715 1.00 0.00 H new ATOM 171 N CYS A 12 -1.061 9.648 0.504 1.00 0.00 N ATOM 172 CA CYS A 12 -1.374 8.718 -0.586 1.00 0.00 C ATOM 173 C CYS A 12 -2.780 8.165 -0.428 1.00 0.00 C ATOM 174 O CYS A 12 -3.222 7.853 0.677 1.00 0.00 O ATOM 175 CB CYS A 12 -0.371 7.559 -0.691 1.00 0.00 C ATOM 176 SG CYS A 12 -0.788 6.361 -1.981 1.00 0.00 S ATOM 0 H CYS A 12 -0.454 9.271 1.232 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.304 9.292 -1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.621 7.964 -0.889 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.320 7.045 0.269 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.544 5.430 -1.480 1.00 0.00 H new ATOM 182 N VAL A 13 -3.469 8.055 -1.552 1.00 0.00 N ATOM 183 CA VAL A 13 -4.833 7.552 -1.592 1.00 0.00 C ATOM 184 C VAL A 13 -5.126 6.955 -2.956 1.00 0.00 C ATOM 185 O VAL A 13 -4.444 7.268 -3.928 1.00 0.00 O ATOM 186 CB VAL A 13 -5.851 8.676 -1.349 1.00 0.00 C ATOM 187 CG1 VAL A 13 -5.907 9.056 0.116 1.00 0.00 C ATOM 188 CG2 VAL A 13 -5.521 9.885 -2.213 1.00 0.00 C ATOM 0 H VAL A 13 -3.097 8.313 -2.466 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.923 6.800 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.838 8.309 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.636 9.854 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.200 8.188 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.925 9.400 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.251 10.673 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.524 10.249 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.551 9.600 -3.265 1.00 0.00 H new ATOM 198 N LYS A 14 -6.151 6.114 -3.028 1.00 0.00 N ATOM 199 CA LYS A 14 -6.532 5.494 -4.293 1.00 0.00 C ATOM 200 C LYS A 14 -7.867 4.767 -4.159 1.00 0.00 C ATOM 201 O LYS A 14 -7.912 3.551 -3.972 1.00 0.00 O ATOM 202 CB LYS A 14 -5.440 4.530 -4.764 1.00 0.00 C ATOM 203 CG LYS A 14 -4.526 5.128 -5.826 1.00 0.00 C ATOM 204 CD LYS A 14 -5.129 5.023 -7.216 1.00 0.00 C ATOM 205 CE LYS A 14 -5.630 6.373 -7.709 1.00 0.00 C ATOM 206 NZ LYS A 14 -4.772 6.923 -8.797 1.00 0.00 N ATOM 0 H LYS A 14 -6.730 5.847 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.647 6.280 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.839 4.226 -3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.907 3.629 -5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.334 6.175 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.564 4.615 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.383 4.635 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.953 4.310 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.653 6.270 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.656 7.076 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.007 7.924 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.772 6.841 -8.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.938 6.388 -9.674 1.00 0.00 H new ATOM 220 N PRO A 15 -8.979 5.521 -4.249 1.00 0.00 N ATOM 221 CA PRO A 15 -10.331 4.965 -4.133 1.00 0.00 C ATOM 222 C PRO A 15 -10.755 4.147 -5.349 1.00 0.00 C ATOM 223 O PRO A 15 -11.828 4.366 -5.911 1.00 0.00 O ATOM 224 CB PRO A 15 -11.213 6.206 -3.984 1.00 0.00 C ATOM 225 CG PRO A 15 -10.456 7.297 -4.653 1.00 0.00 C ATOM 226 CD PRO A 15 -8.998 6.980 -4.465 1.00 0.00 C ATOM 0 HA PRO A 15 -10.403 4.265 -3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.187 6.057 -4.451 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.395 6.438 -2.935 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.708 7.352 -5.712 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.702 8.265 -4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.411 7.262 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.579 7.516 -3.613 1.00 0.00 H new ATOM 234 N ASP A 16 -9.914 3.196 -5.749 1.00 0.00 N ATOM 235 CA ASP A 16 -10.213 2.345 -6.893 1.00 0.00 C ATOM 236 C ASP A 16 -9.208 1.202 -7.007 1.00 0.00 C ATOM 237 O ASP A 16 -8.321 1.229 -7.861 1.00 0.00 O ATOM 238 CB ASP A 16 -10.212 3.171 -8.179 1.00 0.00 C ATOM 239 CG ASP A 16 -9.022 4.109 -8.265 1.00 0.00 C ATOM 240 OD1 ASP A 16 -9.095 5.215 -7.686 1.00 0.00 O ATOM 241 OD2 ASP A 16 -8.019 3.739 -8.910 1.00 0.00 O ATOM 0 H ASP A 16 -9.022 2.997 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.203 1.915 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.205 2.500 -9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -11.133 3.751 -8.235 1.00 0.00 H new ATOM 246 N VAL A 17 -9.350 0.192 -6.155 1.00 0.00 N ATOM 247 CA VAL A 17 -8.445 -0.946 -6.189 1.00 0.00 C ATOM 248 C VAL A 17 -8.999 -2.136 -5.408 1.00 0.00 C ATOM 249 O VAL A 17 -9.969 -2.008 -4.659 1.00 0.00 O ATOM 250 CB VAL A 17 -7.042 -0.566 -5.663 1.00 0.00 C ATOM 251 CG1 VAL A 17 -6.929 -0.763 -4.157 1.00 0.00 C ATOM 252 CG2 VAL A 17 -5.969 -1.356 -6.397 1.00 0.00 C ATOM 0 H VAL A 17 -10.076 0.140 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.353 -1.243 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.890 0.495 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.928 -0.485 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.664 -0.137 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.114 -1.809 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.987 -1.077 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.130 -2.422 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.020 -1.135 -7.463 1.00 0.00 H new ATOM 262 N SER A 18 -8.359 -3.290 -5.580 1.00 0.00 N ATOM 263 CA SER A 18 -8.763 -4.506 -4.888 1.00 0.00 C ATOM 264 C SER A 18 -7.658 -4.965 -3.945 1.00 0.00 C ATOM 265 O SER A 18 -6.490 -5.036 -4.327 1.00 0.00 O ATOM 266 CB SER A 18 -9.094 -5.616 -5.889 1.00 0.00 C ATOM 267 OG SER A 18 -10.208 -5.265 -6.693 1.00 0.00 O ATOM 0 H SER A 18 -7.555 -3.406 -6.196 1.00 0.00 H new ATOM 0 HA SER A 18 -9.659 -4.288 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.229 -5.806 -6.524 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.306 -6.541 -5.353 1.00 0.00 H new ATOM 0 HG SER A 18 -10.397 -5.990 -7.325 1.00 0.00 H new ATOM 273 N VAL A 19 -8.035 -5.266 -2.711 1.00 0.00 N ATOM 274 CA VAL A 19 -7.075 -5.706 -1.702 1.00 0.00 C ATOM 275 C VAL A 19 -7.115 -7.220 -1.531 1.00 0.00 C ATOM 276 O VAL A 19 -8.017 -7.885 -2.033 1.00 0.00 O ATOM 277 CB VAL A 19 -7.339 -5.046 -0.331 1.00 0.00 C ATOM 278 CG1 VAL A 19 -6.039 -4.586 0.308 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.315 -3.886 -0.456 1.00 0.00 C ATOM 0 H VAL A 19 -8.999 -5.214 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.091 -5.401 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.792 -5.797 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.251 -4.124 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.381 -5.443 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.551 -3.860 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.480 -3.442 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.903 -3.134 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.262 -4.249 -0.854 1.00 0.00 H new ATOM 289 N TYR A 20 -6.134 -7.756 -0.814 1.00 0.00 N ATOM 290 CA TYR A 20 -6.057 -9.190 -0.572 1.00 0.00 C ATOM 291 C TYR A 20 -5.857 -9.482 0.914 1.00 0.00 C ATOM 292 O TYR A 20 -5.134 -8.768 1.610 1.00 0.00 O ATOM 293 CB TYR A 20 -4.916 -9.807 -1.386 1.00 0.00 C ATOM 294 CG TYR A 20 -4.906 -9.390 -2.840 1.00 0.00 C ATOM 295 CD1 TYR A 20 -6.010 -9.608 -3.651 1.00 0.00 C ATOM 296 CD2 TYR A 20 -3.788 -8.785 -3.401 1.00 0.00 C ATOM 297 CE1 TYR A 20 -6.002 -9.235 -4.983 1.00 0.00 C ATOM 298 CE2 TYR A 20 -3.772 -8.407 -4.730 1.00 0.00 C ATOM 299 CZ TYR A 20 -4.881 -8.634 -5.517 1.00 0.00 C ATOM 300 OH TYR A 20 -4.866 -8.262 -6.845 1.00 0.00 O ATOM 0 H TYR A 20 -5.380 -7.217 -0.390 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.000 -9.637 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.966 -9.527 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.989 -10.893 -1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.890 -10.077 -3.236 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.917 -8.607 -2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.869 -9.413 -5.602 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.895 -7.936 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 20 -5.776 -8.038 -7.132 1.00 0.00 H new ATOM 310 N ARG A 21 -6.499 -10.543 1.385 1.00 0.00 N ATOM 311 CA ARG A 21 -6.405 -10.956 2.781 1.00 0.00 C ATOM 312 C ARG A 21 -5.910 -12.393 2.866 1.00 0.00 C ATOM 313 O ARG A 21 -6.537 -13.308 2.337 1.00 0.00 O ATOM 314 CB ARG A 21 -7.768 -10.828 3.465 1.00 0.00 C ATOM 315 CG ARG A 21 -7.728 -11.065 4.965 1.00 0.00 C ATOM 316 CD ARG A 21 -7.459 -9.774 5.725 1.00 0.00 C ATOM 317 NE ARG A 21 -8.458 -9.530 6.764 1.00 0.00 N ATOM 318 CZ ARG A 21 -9.335 -8.525 6.741 1.00 0.00 C ATOM 319 NH1 ARG A 21 -9.348 -7.656 5.735 1.00 0.00 N ATOM 320 NH2 ARG A 21 -10.204 -8.389 7.732 1.00 0.00 N ATOM 0 H ARG A 21 -7.097 -11.140 0.814 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.695 -10.306 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.167 -9.832 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.459 -11.540 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.676 -11.491 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.953 -11.795 5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.469 -9.820 6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.451 -8.937 5.026 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.486 -10.170 7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.682 -7.753 4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.024 -6.892 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.200 -9.051 8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.876 -7.622 7.719 1.00 0.00 H new ATOM 334 N ILE A 22 -4.778 -12.588 3.524 1.00 0.00 N ATOM 335 CA ILE A 22 -4.201 -13.921 3.653 1.00 0.00 C ATOM 336 C ILE A 22 -4.263 -14.427 5.093 1.00 0.00 C ATOM 337 O ILE A 22 -3.632 -13.858 5.985 1.00 0.00 O ATOM 338 CB ILE A 22 -2.727 -13.961 3.177 1.00 0.00 C ATOM 339 CG1 ILE A 22 -2.328 -12.647 2.495 1.00 0.00 C ATOM 340 CG2 ILE A 22 -2.506 -15.133 2.229 1.00 0.00 C ATOM 341 CD1 ILE A 22 -3.019 -12.418 1.165 1.00 0.00 C ATOM 0 H ILE A 22 -4.242 -11.847 3.975 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.801 -14.570 3.016 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.096 -14.092 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.559 -11.817 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.249 -12.641 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.466 -15.147 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.738 -16.066 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.156 -15.026 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.688 -11.470 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.768 -13.228 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.098 -12.391 1.316 1.00 0.00 H new ATOM 492 N ARG A 32 6.549 -16.889 -3.311 1.00 0.00 N ATOM 493 CA ARG A 32 6.408 -15.977 -4.443 1.00 0.00 C ATOM 494 C ARG A 32 5.161 -16.306 -5.255 1.00 0.00 C ATOM 495 O ARG A 32 4.593 -17.392 -5.133 1.00 0.00 O ATOM 496 CB ARG A 32 7.637 -16.042 -5.363 1.00 0.00 C ATOM 497 CG ARG A 32 8.953 -16.300 -4.645 1.00 0.00 C ATOM 498 CD ARG A 32 9.533 -15.026 -4.056 1.00 0.00 C ATOM 499 NE ARG A 32 10.804 -15.270 -3.382 1.00 0.00 N ATOM 500 CZ ARG A 32 10.917 -15.924 -2.229 1.00 0.00 C ATOM 501 NH1 ARG A 32 9.834 -16.373 -1.606 1.00 0.00 N ATOM 502 NH2 ARG A 32 12.115 -16.126 -1.700 1.00 0.00 N ATOM 0 HA ARG A 32 6.319 -14.970 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.481 -16.829 -6.101 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.715 -15.103 -5.910 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.797 -17.030 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.668 -16.737 -5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.677 -14.292 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.823 -14.597 -3.349 1.00 0.00 H new ATOM 0 HE ARG A 32 11.655 -14.919 -3.820 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.911 -16.217 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.925 -16.874 -0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.948 -15.780 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.204 -16.627 -0.816 1.00 0.00 H new ATOM 516 N ALA A 33 4.752 -15.356 -6.091 1.00 0.00 N ATOM 517 CA ALA A 33 3.583 -15.521 -6.945 1.00 0.00 C ATOM 518 C ALA A 33 3.742 -16.680 -7.922 1.00 0.00 C ATOM 519 O ALA A 33 2.786 -17.058 -8.598 1.00 0.00 O ATOM 520 CB ALA A 33 3.308 -14.239 -7.707 1.00 0.00 C ATOM 0 H ALA A 33 5.219 -14.455 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 33 2.738 -15.752 -6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.432 -14.374 -8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.123 -13.429 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.170 -13.992 -8.326 1.00 0.00 H new ATOM 526 N SER A 34 4.939 -17.252 -7.993 1.00 0.00 N ATOM 527 CA SER A 34 5.186 -18.374 -8.890 1.00 0.00 C ATOM 528 C SER A 34 4.154 -19.473 -8.658 1.00 0.00 C ATOM 529 O SER A 34 3.655 -20.087 -9.601 1.00 0.00 O ATOM 530 CB SER A 34 6.596 -18.924 -8.673 1.00 0.00 C ATOM 531 OG SER A 34 6.654 -19.745 -7.519 1.00 0.00 O ATOM 0 H SER A 34 5.748 -16.960 -7.444 1.00 0.00 H new ATOM 0 HA SER A 34 5.100 -18.023 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.904 -19.498 -9.547 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.300 -18.098 -8.571 1.00 0.00 H new ATOM 0 HG SER A 34 7.566 -20.085 -7.405 1.00 0.00 H new ATOM 537 N ASP A 35 3.847 -19.717 -7.388 1.00 0.00 N ATOM 538 CA ASP A 35 2.881 -20.746 -7.023 1.00 0.00 C ATOM 539 C ASP A 35 2.041 -20.336 -5.813 1.00 0.00 C ATOM 540 O ASP A 35 1.454 -21.188 -5.147 1.00 0.00 O ATOM 541 CB ASP A 35 3.606 -22.059 -6.727 1.00 0.00 C ATOM 542 CG ASP A 35 4.549 -21.944 -5.545 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.706 -21.519 -5.747 1.00 0.00 O ATOM 544 OD2 ASP A 35 4.131 -22.280 -4.417 1.00 0.00 O ATOM 0 H ASP A 35 4.252 -19.217 -6.596 1.00 0.00 H new ATOM 0 HA ASP A 35 2.205 -20.878 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.872 -22.840 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.168 -22.367 -7.608 1.00 0.00 H new ATOM 549 N TRP A 36 1.989 -19.036 -5.523 1.00 0.00 N ATOM 550 CA TRP A 36 1.214 -18.551 -4.382 1.00 0.00 C ATOM 551 C TRP A 36 -0.283 -18.530 -4.701 1.00 0.00 C ATOM 552 O TRP A 36 -1.074 -19.211 -4.048 1.00 0.00 O ATOM 553 CB TRP A 36 1.709 -17.158 -3.964 1.00 0.00 C ATOM 554 CG TRP A 36 0.674 -16.299 -3.298 1.00 0.00 C ATOM 555 CD1 TRP A 36 0.369 -16.260 -1.967 1.00 0.00 C ATOM 556 CD2 TRP A 36 -0.187 -15.348 -3.934 1.00 0.00 C ATOM 557 NE1 TRP A 36 -0.629 -15.343 -1.738 1.00 0.00 N ATOM 558 CE2 TRP A 36 -0.985 -14.769 -2.931 1.00 0.00 C ATOM 559 CE3 TRP A 36 -0.357 -14.928 -5.257 1.00 0.00 C ATOM 560 CZ2 TRP A 36 -1.939 -13.794 -3.209 1.00 0.00 C ATOM 561 CZ3 TRP A 36 -1.305 -13.961 -5.531 1.00 0.00 C ATOM 562 CH2 TRP A 36 -2.085 -13.403 -4.511 1.00 0.00 C ATOM 0 H TRP A 36 2.467 -18.309 -6.054 1.00 0.00 H new ATOM 0 HA TRP A 36 1.360 -19.237 -3.547 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.555 -17.276 -3.286 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.079 -16.638 -4.848 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.843 -16.862 -1.206 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.038 -15.125 -0.829 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.242 -15.352 -6.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.542 -13.362 -2.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.447 -13.630 -6.549 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.817 -12.648 -4.758 1.00 0.00 H new ATOM 573 N LYS A 37 -0.665 -17.749 -5.707 1.00 0.00 N ATOM 574 CA LYS A 37 -2.068 -17.640 -6.108 1.00 0.00 C ATOM 575 C LYS A 37 -2.956 -17.287 -4.915 1.00 0.00 C ATOM 576 O LYS A 37 -2.500 -17.245 -3.771 1.00 0.00 O ATOM 577 CB LYS A 37 -2.545 -18.950 -6.745 1.00 0.00 C ATOM 578 CG LYS A 37 -2.796 -18.851 -8.246 1.00 0.00 C ATOM 579 CD LYS A 37 -3.911 -17.866 -8.573 1.00 0.00 C ATOM 580 CE LYS A 37 -5.113 -18.561 -9.195 1.00 0.00 C ATOM 581 NZ LYS A 37 -4.774 -19.205 -10.494 1.00 0.00 N ATOM 0 H LYS A 37 -0.024 -17.181 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.145 -16.838 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.800 -19.724 -6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.464 -19.268 -6.253 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.879 -18.541 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.055 -19.835 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.219 -17.351 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.536 -17.106 -9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.493 -19.314 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.912 -17.836 -9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.633 -19.288 -11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.071 -18.625 -10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.381 -20.152 -10.320 1.00 0.00 H new ATOM 595 N LEU A 38 -4.225 -17.016 -5.198 1.00 0.00 N ATOM 596 CA LEU A 38 -5.183 -16.650 -4.167 1.00 0.00 C ATOM 597 C LEU A 38 -6.583 -16.525 -4.758 1.00 0.00 C ATOM 598 O LEU A 38 -6.781 -15.875 -5.785 1.00 0.00 O ATOM 599 CB LEU A 38 -4.766 -15.332 -3.515 1.00 0.00 C ATOM 600 CG LEU A 38 -5.369 -15.059 -2.136 1.00 0.00 C ATOM 601 CD1 LEU A 38 -4.556 -15.751 -1.051 1.00 0.00 C ATOM 602 CD2 LEU A 38 -5.438 -13.559 -1.882 1.00 0.00 C ATOM 0 H LEU A 38 -4.614 -17.044 -6.140 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.198 -17.433 -3.409 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.680 -15.319 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.042 -14.514 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.381 -15.462 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.000 -15.546 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.553 -16.826 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.532 -15.377 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.869 -13.376 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.434 -13.136 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.061 -13.089 -2.643 1.00 0.00 H new ATOM 614 N ASP A 39 -7.546 -17.167 -4.110 1.00 0.00 N ATOM 615 CA ASP A 39 -8.927 -17.148 -4.568 1.00 0.00 C ATOM 616 C ASP A 39 -9.881 -17.284 -3.384 1.00 0.00 C ATOM 617 O ASP A 39 -10.574 -18.291 -3.238 1.00 0.00 O ATOM 618 CB ASP A 39 -9.169 -18.284 -5.563 1.00 0.00 C ATOM 619 CG ASP A 39 -8.942 -19.649 -4.943 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.976 -19.795 -4.166 1.00 0.00 O ATOM 621 OD2 ASP A 39 -9.732 -20.572 -5.234 1.00 0.00 O ATOM 0 H ASP A 39 -7.394 -17.710 -3.260 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.114 -16.195 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.190 -18.223 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.506 -18.161 -6.419 1.00 0.00 H new ATOM 626 N GLN A 40 -9.912 -16.259 -2.544 1.00 0.00 N ATOM 627 CA GLN A 40 -10.780 -16.256 -1.374 1.00 0.00 C ATOM 628 C GLN A 40 -11.132 -14.825 -0.969 1.00 0.00 C ATOM 629 O GLN A 40 -12.293 -14.416 -1.050 1.00 0.00 O ATOM 630 CB GLN A 40 -10.111 -16.991 -0.211 1.00 0.00 C ATOM 631 CG GLN A 40 -10.827 -18.271 0.191 1.00 0.00 C ATOM 632 CD GLN A 40 -9.975 -19.159 1.076 1.00 0.00 C ATOM 633 OE1 GLN A 40 -8.872 -19.557 0.700 1.00 0.00 O ATOM 634 NE2 GLN A 40 -10.486 -19.479 2.260 1.00 0.00 N ATOM 0 H GLN A 40 -9.345 -15.418 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.702 -16.777 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.084 -17.230 -0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.064 -16.325 0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.749 -18.019 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.111 -18.822 -0.706 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.404 -19.127 2.531 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.960 -20.077 2.898 1.00 0.00 H new ATOM 643 N PRO A 41 -10.131 -14.039 -0.528 1.00 0.00 N ATOM 644 CA PRO A 41 -10.342 -12.650 -0.112 1.00 0.00 C ATOM 645 C PRO A 41 -10.592 -11.717 -1.297 1.00 0.00 C ATOM 646 O PRO A 41 -11.728 -11.587 -1.753 1.00 0.00 O ATOM 647 CB PRO A 41 -9.032 -12.311 0.594 1.00 0.00 C ATOM 648 CG PRO A 41 -8.021 -13.139 -0.118 1.00 0.00 C ATOM 649 CD PRO A 41 -8.712 -14.438 -0.394 1.00 0.00 C ATOM 0 HA PRO A 41 -11.225 -12.528 0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.802 -11.248 0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.074 -12.556 1.655 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.697 -12.660 -1.042 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.131 -13.287 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.338 -14.909 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.568 -15.152 0.417 1.00 0.00 H new ATOM 657 N ASP A 42 -9.537 -11.056 -1.793 1.00 0.00 N ATOM 658 CA ASP A 42 -9.670 -10.136 -2.910 1.00 0.00 C ATOM 659 C ASP A 42 -10.871 -9.222 -2.701 1.00 0.00 C ATOM 660 O ASP A 42 -11.774 -9.159 -3.535 1.00 0.00 O ATOM 661 CB ASP A 42 -9.809 -10.906 -4.227 1.00 0.00 C ATOM 662 CG ASP A 42 -9.966 -9.986 -5.424 1.00 0.00 C ATOM 663 OD1 ASP A 42 -9.089 -9.118 -5.624 1.00 0.00 O ATOM 664 OD2 ASP A 42 -10.964 -10.133 -6.159 1.00 0.00 O ATOM 0 H ASP A 42 -8.587 -11.147 -1.433 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.770 -9.524 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.931 -11.536 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.672 -11.569 -4.167 1.00 0.00 H new ATOM 669 N TRP A 43 -10.878 -8.521 -1.575 1.00 0.00 N ATOM 670 CA TRP A 43 -11.974 -7.619 -1.257 1.00 0.00 C ATOM 671 C TRP A 43 -11.882 -6.346 -2.093 1.00 0.00 C ATOM 672 O TRP A 43 -10.836 -6.041 -2.665 1.00 0.00 O ATOM 673 CB TRP A 43 -12.034 -7.296 0.254 1.00 0.00 C ATOM 674 CG TRP A 43 -10.703 -7.240 0.969 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.830 -8.272 1.202 1.00 0.00 C ATOM 676 CD2 TRP A 43 -10.115 -6.082 1.582 1.00 0.00 C ATOM 677 NE1 TRP A 43 -8.733 -7.816 1.896 1.00 0.00 N ATOM 678 CE2 TRP A 43 -8.888 -6.480 2.146 1.00 0.00 C ATOM 679 CE3 TRP A 43 -10.504 -4.746 1.699 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -8.051 -5.589 2.819 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.674 -3.863 2.367 1.00 0.00 C ATOM 682 CH2 TRP A 43 -8.460 -4.287 2.920 1.00 0.00 C ATOM 0 H TRP A 43 -10.141 -8.560 -0.871 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.905 -8.127 -1.510 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.534 -6.336 0.381 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -12.656 -8.046 0.742 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.982 -9.294 0.887 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.933 -8.383 2.178 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.438 -4.407 1.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.114 -5.915 3.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.968 -2.828 2.463 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.835 -3.573 3.436 1.00 0.00 H new ATOM 693 N THR A 44 -12.987 -5.611 -2.167 1.00 0.00 N ATOM 694 CA THR A 44 -13.034 -4.384 -2.942 1.00 0.00 C ATOM 695 C THR A 44 -13.093 -3.173 -2.024 1.00 0.00 C ATOM 696 O THR A 44 -14.010 -3.035 -1.216 1.00 0.00 O ATOM 697 CB THR A 44 -14.251 -4.389 -3.868 1.00 0.00 C ATOM 698 OG1 THR A 44 -14.242 -5.534 -4.703 1.00 0.00 O ATOM 699 CG2 THR A 44 -14.322 -3.171 -4.762 1.00 0.00 C ATOM 0 H THR A 44 -13.861 -5.847 -1.698 1.00 0.00 H new ATOM 0 HA THR A 44 -12.127 -4.325 -3.543 1.00 0.00 H new ATOM 0 HB THR A 44 -15.118 -4.390 -3.208 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.029 -5.520 -5.286 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.208 -3.235 -5.394 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.378 -2.272 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.431 -3.127 -5.389 1.00 0.00 H new ATOM 707 N GLY A 45 -12.104 -2.300 -2.158 1.00 0.00 N ATOM 708 CA GLY A 45 -12.062 -1.110 -1.337 1.00 0.00 C ATOM 709 C GLY A 45 -10.892 -0.206 -1.671 1.00 0.00 C ATOM 710 O GLY A 45 -10.168 -0.451 -2.635 1.00 0.00 O ATOM 0 H GLY A 45 -11.333 -2.395 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.992 -0.555 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.003 -1.400 -0.288 1.00 0.00 H new ATOM 714 N ARG A 46 -10.715 0.849 -0.881 1.00 0.00 N ATOM 715 CA ARG A 46 -9.633 1.797 -1.116 1.00 0.00 C ATOM 716 C ARG A 46 -8.645 1.837 0.037 1.00 0.00 C ATOM 717 O ARG A 46 -8.951 1.432 1.157 1.00 0.00 O ATOM 718 CB ARG A 46 -10.195 3.198 -1.345 1.00 0.00 C ATOM 719 CG ARG A 46 -10.815 3.842 -0.112 1.00 0.00 C ATOM 720 CD ARG A 46 -10.692 5.359 -0.161 1.00 0.00 C ATOM 721 NE ARG A 46 -11.105 5.996 1.089 1.00 0.00 N ATOM 722 CZ ARG A 46 -10.464 5.846 2.249 1.00 0.00 C ATOM 723 NH1 ARG A 46 -9.379 5.082 2.324 1.00 0.00 N ATOM 724 NH2 ARG A 46 -10.904 6.470 3.334 1.00 0.00 N ATOM 0 H ARG A 46 -11.304 1.068 -0.077 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.102 1.458 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.394 3.841 -1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.949 3.149 -2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.866 3.562 -0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.324 3.464 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.659 5.629 -0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.301 5.743 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.933 6.591 1.073 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.032 4.606 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.894 4.972 3.214 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.732 7.064 3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.415 6.356 4.222 1.00 0.00 H new ATOM 738 N LEU A 47 -7.456 2.344 -0.255 1.00 0.00 N ATOM 739 CA LEU A 47 -6.408 2.465 0.737 1.00 0.00 C ATOM 740 C LEU A 47 -5.886 3.895 0.782 1.00 0.00 C ATOM 741 O LEU A 47 -5.726 4.546 -0.256 1.00 0.00 O ATOM 742 CB LEU A 47 -5.269 1.494 0.427 1.00 0.00 C ATOM 743 CG LEU A 47 -4.364 1.166 1.610 1.00 0.00 C ATOM 744 CD1 LEU A 47 -5.090 0.285 2.615 1.00 0.00 C ATOM 745 CD2 LEU A 47 -3.091 0.491 1.129 1.00 0.00 C ATOM 0 H LEU A 47 -7.196 2.680 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.822 2.215 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.696 0.566 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.659 1.915 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.096 2.098 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.426 0.063 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.975 0.805 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.390 -0.645 2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.455 0.263 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.343 -0.432 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.560 1.158 0.449 1.00 0.00 H new ATOM 757 N ARG A 48 -5.633 4.381 1.989 1.00 0.00 N ATOM 758 CA ARG A 48 -5.137 5.734 2.185 1.00 0.00 C ATOM 759 C ARG A 48 -4.095 5.752 3.294 1.00 0.00 C ATOM 760 O ARG A 48 -4.254 5.081 4.312 1.00 0.00 O ATOM 761 CB ARG A 48 -6.295 6.678 2.533 1.00 0.00 C ATOM 762 CG ARG A 48 -5.838 8.028 3.062 1.00 0.00 C ATOM 763 CD ARG A 48 -6.950 9.063 3.018 1.00 0.00 C ATOM 764 NE ARG A 48 -6.419 10.423 3.084 1.00 0.00 N ATOM 765 CZ ARG A 48 -6.789 11.415 2.276 1.00 0.00 C ATOM 766 NH1 ARG A 48 -7.739 11.232 1.365 1.00 0.00 N ATOM 767 NH2 ARG A 48 -6.213 12.603 2.389 1.00 0.00 N ATOM 0 H ARG A 48 -5.765 3.854 2.852 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.673 6.076 1.260 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.907 6.833 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.931 6.201 3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.488 7.916 4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.991 8.380 2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.526 8.940 2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.635 8.898 3.850 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.718 10.626 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.194 10.323 1.278 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.013 12.000 0.752 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.490 12.754 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.493 13.366 1.773 1.00 0.00 H new ATOM 781 N ILE A 49 -3.031 6.525 3.102 1.00 0.00 N ATOM 782 CA ILE A 49 -1.983 6.619 4.108 1.00 0.00 C ATOM 783 C ILE A 49 -1.574 8.073 4.320 1.00 0.00 C ATOM 784 O ILE A 49 -1.691 8.901 3.414 1.00 0.00 O ATOM 785 CB ILE A 49 -0.749 5.763 3.740 1.00 0.00 C ATOM 786 CG1 ILE A 49 -0.016 6.339 2.532 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.160 4.322 3.459 1.00 0.00 C ATOM 788 CD1 ILE A 49 1.439 5.937 2.475 1.00 0.00 C ATOM 0 H ILE A 49 -2.874 7.090 2.267 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.391 6.224 5.039 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.070 5.779 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.514 6.008 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.086 7.426 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.278 3.736 3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.631 3.899 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.865 4.300 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.904 6.378 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.950 6.291 3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.515 4.851 2.420 1.00 0.00 H new ATOM 800 N THR A 50 -1.101 8.379 5.520 1.00 0.00 N ATOM 801 CA THR A 50 -0.689 9.740 5.847 1.00 0.00 C ATOM 802 C THR A 50 0.156 9.772 7.114 1.00 0.00 C ATOM 803 O THR A 50 0.459 8.732 7.699 1.00 0.00 O ATOM 804 CB THR A 50 -1.920 10.638 6.026 1.00 0.00 C ATOM 805 OG1 THR A 50 -3.117 9.881 5.946 1.00 0.00 O ATOM 806 CG2 THR A 50 -2.003 11.745 4.999 1.00 0.00 C ATOM 0 H THR A 50 -0.993 7.708 6.281 1.00 0.00 H new ATOM 0 HA THR A 50 -0.084 10.113 5.020 1.00 0.00 H new ATOM 0 HB THR A 50 -1.808 11.086 7.013 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.888 10.474 6.065 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.896 12.344 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.119 12.379 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.054 11.312 4.000 1.00 0.00 H new ATOM 814 N SER A 51 0.527 10.978 7.537 1.00 0.00 N ATOM 815 CA SER A 51 1.332 11.154 8.740 1.00 0.00 C ATOM 816 C SER A 51 1.146 12.556 9.314 1.00 0.00 C ATOM 817 O SER A 51 1.236 13.550 8.593 1.00 0.00 O ATOM 818 CB SER A 51 2.812 10.899 8.436 1.00 0.00 C ATOM 819 OG SER A 51 3.006 10.605 7.065 1.00 0.00 O ATOM 0 H SER A 51 0.282 11.848 7.063 1.00 0.00 H new ATOM 0 HA SER A 51 0.997 10.430 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.399 11.775 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.174 10.070 9.044 1.00 0.00 H new ATOM 0 HG SER A 51 3.958 10.448 6.896 1.00 0.00 H new ATOM 825 N LYS A 52 0.888 12.627 10.616 1.00 0.00 N ATOM 826 CA LYS A 52 0.687 13.905 11.293 1.00 0.00 C ATOM 827 C LYS A 52 1.934 14.776 11.184 1.00 0.00 C ATOM 828 O LYS A 52 1.868 15.925 10.751 1.00 0.00 O ATOM 829 CB LYS A 52 0.338 13.682 12.768 1.00 0.00 C ATOM 830 CG LYS A 52 -0.680 12.576 13.001 1.00 0.00 C ATOM 831 CD LYS A 52 -0.769 12.202 14.470 1.00 0.00 C ATOM 832 CE LYS A 52 -2.181 12.369 15.008 1.00 0.00 C ATOM 833 NZ LYS A 52 -2.201 13.142 16.280 1.00 0.00 N ATOM 0 H LYS A 52 0.813 11.813 11.225 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.142 14.418 10.806 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.250 13.444 13.315 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.049 14.612 13.184 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.659 12.900 12.647 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.405 11.698 12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.449 11.169 14.602 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.084 12.824 15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.795 12.877 14.265 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.626 11.387 15.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.181 13.234 16.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.636 12.645 16.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.800 14.088 16.118 1.00 0.00 H new ATOM 847 N GLY A 53 3.071 14.215 11.584 1.00 0.00 N ATOM 848 CA GLY A 53 4.323 14.948 11.528 1.00 0.00 C ATOM 849 C GLY A 53 5.516 14.071 11.851 1.00 0.00 C ATOM 850 O GLY A 53 6.371 13.837 10.996 1.00 0.00 O ATOM 0 H GLY A 53 3.148 13.265 11.946 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.447 15.375 10.533 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.286 15.781 12.230 1.00 0.00 H new ATOM 854 N LYS A 54 5.576 13.582 13.088 1.00 0.00 N ATOM 855 CA LYS A 54 6.671 12.722 13.518 1.00 0.00 C ATOM 856 C LYS A 54 6.300 11.247 13.360 1.00 0.00 C ATOM 857 O LYS A 54 7.173 10.380 13.320 1.00 0.00 O ATOM 858 CB LYS A 54 7.042 13.016 14.976 1.00 0.00 C ATOM 859 CG LYS A 54 7.268 14.493 15.262 1.00 0.00 C ATOM 860 CD LYS A 54 8.513 15.016 14.556 1.00 0.00 C ATOM 861 CE LYS A 54 9.769 14.275 14.994 1.00 0.00 C ATOM 862 NZ LYS A 54 9.970 14.327 16.470 1.00 0.00 N ATOM 0 H LYS A 54 4.878 13.768 13.808 1.00 0.00 H new ATOM 0 HA LYS A 54 7.533 12.931 12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.249 12.646 15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.946 12.463 15.231 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.398 15.064 14.938 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.367 14.645 16.337 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.389 14.914 13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.628 16.080 14.764 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.705 13.235 14.675 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.636 14.708 14.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.915 13.961 16.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.889 15.311 16.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.247 13.746 16.940 1.00 0.00 H new ATOM 876 N ILE A 55 5.000 10.971 13.266 1.00 0.00 N ATOM 877 CA ILE A 55 4.516 9.604 13.108 1.00 0.00 C ATOM 878 C ILE A 55 3.654 9.471 11.859 1.00 0.00 C ATOM 879 O ILE A 55 3.404 10.454 11.160 1.00 0.00 O ATOM 880 CB ILE A 55 3.695 9.147 14.330 1.00 0.00 C ATOM 881 CG1 ILE A 55 2.748 10.262 14.783 1.00 0.00 C ATOM 882 CG2 ILE A 55 4.617 8.726 15.466 1.00 0.00 C ATOM 883 CD1 ILE A 55 1.706 9.804 15.780 1.00 0.00 C ATOM 0 H ILE A 55 4.265 11.677 13.297 1.00 0.00 H new ATOM 0 HA ILE A 55 5.397 8.968 13.015 1.00 0.00 H new ATOM 0 HB ILE A 55 3.095 8.284 14.042 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.334 11.067 15.226 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.245 10.677 13.910 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.020 8.407 16.320 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.248 7.901 15.136 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.244 9.569 15.757 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.071 10.646 16.056 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.095 9.020 15.333 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.200 9.416 16.670 1.00 0.00 H new ATOM 895 N ALA A 56 3.200 8.253 11.582 1.00 0.00 N ATOM 896 CA ALA A 56 2.365 7.998 10.415 1.00 0.00 C ATOM 897 C ALA A 56 1.291 6.960 10.718 1.00 0.00 C ATOM 898 O ALA A 56 1.543 5.972 11.409 1.00 0.00 O ATOM 899 CB ALA A 56 3.221 7.546 9.240 1.00 0.00 C ATOM 0 H ALA A 56 3.396 7.428 12.149 1.00 0.00 H new ATOM 0 HA ALA A 56 1.865 8.930 10.151 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.583 7.359 8.376 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.944 8.324 8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.749 6.630 9.506 1.00 0.00 H new ATOM 905 N TYR A 57 0.092 7.193 10.197 1.00 0.00 N ATOM 906 CA TYR A 57 -1.024 6.281 10.409 1.00 0.00 C ATOM 907 C TYR A 57 -1.728 5.975 9.094 1.00 0.00 C ATOM 908 O TYR A 57 -1.862 6.845 8.233 1.00 0.00 O ATOM 909 CB TYR A 57 -2.020 6.885 11.400 1.00 0.00 C ATOM 910 CG TYR A 57 -2.588 8.209 10.947 1.00 0.00 C ATOM 911 CD1 TYR A 57 -3.693 8.263 10.107 1.00 0.00 C ATOM 912 CD2 TYR A 57 -2.015 9.407 11.356 1.00 0.00 C ATOM 913 CE1 TYR A 57 -4.212 9.473 9.687 1.00 0.00 C ATOM 914 CE2 TYR A 57 -2.530 10.620 10.941 1.00 0.00 C ATOM 915 CZ TYR A 57 -3.627 10.648 10.107 1.00 0.00 C ATOM 916 OH TYR A 57 -4.143 11.856 9.689 1.00 0.00 O ATOM 0 H TYR A 57 -0.132 8.007 9.624 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.630 5.351 10.819 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.838 6.182 11.556 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.527 7.020 12.363 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.154 7.344 9.777 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.154 9.390 12.008 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.071 9.498 9.033 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.075 11.543 11.269 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.617 12.587 10.075 1.00 0.00 H new ATOM 926 N ILE A 58 -2.174 4.735 8.943 1.00 0.00 N ATOM 927 CA ILE A 58 -2.864 4.317 7.730 1.00 0.00 C ATOM 928 C ILE A 58 -4.257 3.784 8.044 1.00 0.00 C ATOM 929 O ILE A 58 -4.497 3.238 9.120 1.00 0.00 O ATOM 930 CB ILE A 58 -2.063 3.239 6.975 1.00 0.00 C ATOM 931 CG1 ILE A 58 -1.967 1.956 7.805 1.00 0.00 C ATOM 932 CG2 ILE A 58 -0.675 3.761 6.636 1.00 0.00 C ATOM 933 CD1 ILE A 58 -2.860 0.843 7.303 1.00 0.00 C ATOM 0 H ILE A 58 -2.071 4.002 9.644 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.956 5.199 7.096 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.585 3.004 6.047 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.934 1.610 7.805 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.228 2.182 8.839 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.117 2.991 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.763 4.647 6.007 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.149 4.019 7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.740 -0.034 7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.899 1.171 7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.585 0.590 6.279 1.00 0.00 H new ATOM 945 N LYS A 59 -5.169 3.945 7.094 1.00 0.00 N ATOM 946 CA LYS A 59 -6.540 3.480 7.264 1.00 0.00 C ATOM 947 C LYS A 59 -6.969 2.630 6.076 1.00 0.00 C ATOM 948 O LYS A 59 -6.565 2.884 4.942 1.00 0.00 O ATOM 949 CB LYS A 59 -7.494 4.667 7.418 1.00 0.00 C ATOM 950 CG LYS A 59 -6.920 5.814 8.237 1.00 0.00 C ATOM 951 CD LYS A 59 -6.375 6.920 7.344 1.00 0.00 C ATOM 952 CE LYS A 59 -7.165 8.210 7.506 1.00 0.00 C ATOM 953 NZ LYS A 59 -6.679 9.277 6.589 1.00 0.00 N ATOM 0 H LYS A 59 -4.984 4.394 6.197 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.580 2.872 8.168 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.761 5.038 6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.415 4.322 7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.694 6.220 8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.124 5.440 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.328 7.101 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.411 6.599 6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.220 8.017 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.089 8.555 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.420 10.119 7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.846 8.935 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.431 9.524 5.915 1.00 0.00 H new ATOM 967 N LEU A 60 -7.792 1.623 6.339 1.00 0.00 N ATOM 968 CA LEU A 60 -8.275 0.746 5.283 1.00 0.00 C ATOM 969 C LEU A 60 -9.798 0.711 5.258 1.00 0.00 C ATOM 970 O LEU A 60 -10.443 0.546 6.295 1.00 0.00 O ATOM 971 CB LEU A 60 -7.723 -0.671 5.455 1.00 0.00 C ATOM 972 CG LEU A 60 -7.560 -1.142 6.902 1.00 0.00 C ATOM 973 CD1 LEU A 60 -7.882 -2.622 7.017 1.00 0.00 C ATOM 974 CD2 LEU A 60 -6.152 -0.865 7.400 1.00 0.00 C ATOM 0 H LEU A 60 -8.137 1.395 7.271 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.920 1.146 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.385 -1.366 4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.753 -0.727 4.961 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.260 -0.585 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.761 -2.941 8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.911 -2.796 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.205 -3.192 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.057 -1.207 8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.434 -1.395 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.954 0.206 7.353 1.00 0.00 H new ATOM 986 N GLU A 61 -10.361 0.872 4.062 1.00 0.00 N ATOM 987 CA GLU A 61 -11.810 0.861 3.881 1.00 0.00 C ATOM 988 C GLU A 61 -12.173 0.965 2.400 1.00 0.00 C ATOM 989 O GLU A 61 -11.330 1.280 1.562 1.00 0.00 O ATOM 990 CB GLU A 61 -12.457 2.012 4.656 1.00 0.00 C ATOM 991 CG GLU A 61 -11.764 3.350 4.459 1.00 0.00 C ATOM 992 CD GLU A 61 -12.743 4.474 4.175 1.00 0.00 C ATOM 993 OE1 GLU A 61 -13.537 4.343 3.221 1.00 0.00 O ATOM 994 OE2 GLU A 61 -12.717 5.483 4.910 1.00 0.00 O ATOM 0 H GLU A 61 -9.832 1.012 3.201 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.190 -0.085 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.499 2.104 4.349 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.458 1.767 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.187 3.592 5.352 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.056 3.271 3.634 1.00 0.00 H new ATOM 1001 N ASP A 62 -13.434 0.692 2.086 1.00 0.00 N ATOM 1002 CA ASP A 62 -13.920 0.744 0.710 1.00 0.00 C ATOM 1003 C ASP A 62 -14.156 2.177 0.250 1.00 0.00 C ATOM 1004 O ASP A 62 -14.677 3.009 0.993 1.00 0.00 O ATOM 1005 CB ASP A 62 -15.205 -0.078 0.561 1.00 0.00 C ATOM 1006 CG ASP A 62 -15.790 -0.016 -0.834 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -15.053 0.354 -1.771 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -16.987 -0.336 -0.989 1.00 0.00 O ATOM 0 H ASP A 62 -14.144 0.430 2.770 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.147 0.312 0.074 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -14.996 -1.117 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -15.945 0.283 1.275 1.00 0.00 H new ATOM 1013 N LYS A 63 -13.777 2.441 -0.994 1.00 0.00 N ATOM 1014 CA LYS A 63 -13.940 3.758 -1.590 1.00 0.00 C ATOM 1015 C LYS A 63 -15.419 4.124 -1.762 1.00 0.00 C ATOM 1016 O LYS A 63 -15.743 5.238 -2.168 1.00 0.00 O ATOM 1017 CB LYS A 63 -13.226 3.807 -2.942 1.00 0.00 C ATOM 1018 CG LYS A 63 -13.946 3.055 -4.044 1.00 0.00 C ATOM 1019 CD LYS A 63 -14.700 4.006 -4.958 1.00 0.00 C ATOM 1020 CE LYS A 63 -15.574 3.257 -5.948 1.00 0.00 C ATOM 1021 NZ LYS A 63 -16.741 4.075 -6.379 1.00 0.00 N ATOM 0 H LYS A 63 -13.351 1.752 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.496 4.489 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.109 4.848 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.224 3.393 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.225 2.481 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.642 2.340 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.319 4.673 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.990 4.631 -5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.982 2.980 -6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.926 2.330 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.315 3.532 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -17.320 4.318 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.404 4.947 -6.834 1.00 0.00 H new ATOM 1035 N VAL A 64 -16.310 3.181 -1.460 1.00 0.00 N ATOM 1036 CA VAL A 64 -17.741 3.415 -1.591 1.00 0.00 C ATOM 1037 C VAL A 64 -18.282 4.186 -0.391 1.00 0.00 C ATOM 1038 O VAL A 64 -18.835 5.275 -0.546 1.00 0.00 O ATOM 1039 CB VAL A 64 -18.514 2.088 -1.730 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -20.014 2.338 -1.842 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -18.015 1.300 -2.932 1.00 0.00 C ATOM 0 H VAL A 64 -16.063 2.250 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 64 -17.887 4.007 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 64 -18.334 1.499 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -20.535 1.386 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -20.365 2.854 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.216 2.953 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -18.573 0.367 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -18.159 1.888 -3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -16.955 1.079 -2.808 1.00 0.00 H new ATOM 1051 N SER A 65 -18.126 3.622 0.806 1.00 0.00 N ATOM 1052 CA SER A 65 -18.613 4.281 2.015 1.00 0.00 C ATOM 1053 C SER A 65 -18.228 3.523 3.288 1.00 0.00 C ATOM 1054 O SER A 65 -19.085 2.977 3.981 1.00 0.00 O ATOM 1055 CB SER A 65 -20.134 4.441 1.950 1.00 0.00 C ATOM 1056 OG SER A 65 -20.571 5.491 2.794 1.00 0.00 O ATOM 0 H SER A 65 -17.672 2.722 0.963 1.00 0.00 H new ATOM 0 HA SER A 65 -18.137 5.261 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 65 -20.438 4.645 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 65 -20.614 3.508 2.246 1.00 0.00 H new ATOM 0 HG SER A 65 -21.546 5.575 2.734 1.00 0.00 H new ATOM 1062 N GLY A 66 -16.939 3.518 3.605 1.00 0.00 N ATOM 1063 CA GLY A 66 -16.470 2.851 4.812 1.00 0.00 C ATOM 1064 C GLY A 66 -16.815 1.370 4.866 1.00 0.00 C ATOM 1065 O GLY A 66 -17.861 0.988 5.390 1.00 0.00 O ATOM 0 H GLY A 66 -16.208 3.963 3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.388 2.966 4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.901 3.347 5.682 1.00 0.00 H new ATOM 1069 N GLU A 67 -15.931 0.538 4.328 1.00 0.00 N ATOM 1070 CA GLU A 67 -16.139 -0.909 4.323 1.00 0.00 C ATOM 1071 C GLU A 67 -15.933 -1.510 5.719 1.00 0.00 C ATOM 1072 O GLU A 67 -16.714 -1.250 6.634 1.00 0.00 O ATOM 1073 CB GLU A 67 -15.214 -1.572 3.298 1.00 0.00 C ATOM 1074 CG GLU A 67 -15.775 -2.848 2.695 1.00 0.00 C ATOM 1075 CD GLU A 67 -14.694 -3.846 2.334 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -13.585 -3.410 1.961 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -14.957 -5.064 2.421 1.00 0.00 O ATOM 0 H GLU A 67 -15.061 0.839 3.888 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.173 -1.103 4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.009 -0.863 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.260 -1.797 3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.466 -3.306 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.350 -2.602 1.802 1.00 0.00 H new ATOM 1084 N LEU A 68 -14.880 -2.317 5.873 1.00 0.00 N ATOM 1085 CA LEU A 68 -14.571 -2.963 7.143 1.00 0.00 C ATOM 1086 C LEU A 68 -14.264 -1.951 8.256 1.00 0.00 C ATOM 1087 O LEU A 68 -14.872 -2.016 9.323 1.00 0.00 O ATOM 1088 CB LEU A 68 -13.397 -3.924 6.954 1.00 0.00 C ATOM 1089 CG LEU A 68 -12.095 -3.264 6.500 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -11.234 -2.946 7.705 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -11.344 -4.152 5.518 1.00 0.00 C ATOM 0 H LEU A 68 -14.224 -2.537 5.124 1.00 0.00 H new ATOM 0 HA LEU A 68 -15.455 -3.517 7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -13.216 -4.443 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -13.679 -4.680 6.222 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.337 -2.335 5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.307 -2.476 7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.771 -2.266 8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.003 -3.867 8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.422 -3.658 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.105 -5.102 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.967 -4.333 4.642 1.00 0.00 H new ATOM 1103 N PHE A 69 -13.320 -1.025 8.008 1.00 0.00 N ATOM 1104 CA PHE A 69 -12.933 -0.001 8.987 1.00 0.00 C ATOM 1105 C PHE A 69 -11.785 -0.484 9.870 1.00 0.00 C ATOM 1106 O PHE A 69 -11.993 -1.264 10.797 1.00 0.00 O ATOM 1107 CB PHE A 69 -14.120 0.415 9.868 1.00 0.00 C ATOM 1108 CG PHE A 69 -14.169 1.891 10.168 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -13.004 2.619 10.364 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -15.386 2.550 10.253 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -13.053 3.974 10.639 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -15.440 3.905 10.527 1.00 0.00 C ATOM 1113 CZ PHE A 69 -14.273 4.617 10.719 1.00 0.00 C ATOM 0 H PHE A 69 -12.808 -0.968 7.127 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.600 0.868 8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -15.047 0.124 9.374 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -14.073 -0.136 10.808 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.047 2.122 10.301 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -16.303 1.999 10.104 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.139 4.528 10.791 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.395 4.406 10.591 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.314 5.675 10.931 1.00 0.00 H new ATOM 1123 N ALA A 70 -10.574 -0.003 9.580 1.00 0.00 N ATOM 1124 CA ALA A 70 -9.391 -0.376 10.356 1.00 0.00 C ATOM 1125 C ALA A 70 -8.216 0.551 10.054 1.00 0.00 C ATOM 1126 O ALA A 70 -8.146 1.151 8.981 1.00 0.00 O ATOM 1127 CB ALA A 70 -9.002 -1.819 10.078 1.00 0.00 C ATOM 0 H ALA A 70 -10.388 0.645 8.814 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.642 -0.275 11.412 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.120 -2.078 10.664 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.826 -2.477 10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.780 -1.938 9.017 1.00 0.00 H new ATOM 1133 N GLN A 71 -7.290 0.660 11.007 1.00 0.00 N ATOM 1134 CA GLN A 71 -6.114 1.510 10.844 1.00 0.00 C ATOM 1135 C GLN A 71 -4.898 0.901 11.538 1.00 0.00 C ATOM 1136 O GLN A 71 -5.036 0.096 12.459 1.00 0.00 O ATOM 1137 CB GLN A 71 -6.385 2.909 11.405 1.00 0.00 C ATOM 1138 CG GLN A 71 -6.561 2.940 12.917 1.00 0.00 C ATOM 1139 CD GLN A 71 -7.779 2.163 13.378 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -7.683 1.287 14.238 1.00 0.00 O ATOM 1141 NE2 GLN A 71 -8.933 2.485 12.807 1.00 0.00 N ATOM 0 H GLN A 71 -7.333 0.169 11.900 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.901 1.587 9.778 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.560 3.567 11.131 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.283 3.311 10.936 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.670 2.528 13.391 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.648 3.975 13.248 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.964 3.218 12.098 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.788 1.999 13.077 1.00 0.00 H new ATOM 1150 N ALA A 72 -3.706 1.293 11.091 1.00 0.00 N ATOM 1151 CA ALA A 72 -2.465 0.788 11.671 1.00 0.00 C ATOM 1152 C ALA A 72 -1.538 1.935 12.073 1.00 0.00 C ATOM 1153 O ALA A 72 -0.862 2.521 11.226 1.00 0.00 O ATOM 1154 CB ALA A 72 -1.762 -0.140 10.688 1.00 0.00 C ATOM 0 H ALA A 72 -3.575 1.959 10.329 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.716 0.226 12.570 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.838 -0.509 11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.413 -0.982 10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.531 0.406 9.774 1.00 0.00 H new ATOM 1160 N PRO A 73 -1.489 2.271 13.377 1.00 0.00 N ATOM 1161 CA PRO A 73 -0.633 3.351 13.880 1.00 0.00 C ATOM 1162 C PRO A 73 0.843 2.980 13.825 1.00 0.00 C ATOM 1163 O PRO A 73 1.237 1.903 14.276 1.00 0.00 O ATOM 1164 CB PRO A 73 -1.090 3.522 15.330 1.00 0.00 C ATOM 1165 CG PRO A 73 -1.644 2.194 15.711 1.00 0.00 C ATOM 1166 CD PRO A 73 -2.254 1.622 14.460 1.00 0.00 C ATOM 0 HA PRO A 73 -0.724 4.260 13.285 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.259 3.805 15.976 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.843 4.305 15.418 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.861 1.541 16.096 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.391 2.295 16.498 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.157 0.537 14.426 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.318 1.849 14.392 1.00 0.00 H new ATOM 1174 N VAL A 74 1.656 3.867 13.259 1.00 0.00 N ATOM 1175 CA VAL A 74 3.089 3.612 13.140 1.00 0.00 C ATOM 1176 C VAL A 74 3.912 4.814 13.593 1.00 0.00 C ATOM 1177 O VAL A 74 3.444 5.951 13.550 1.00 0.00 O ATOM 1178 CB VAL A 74 3.494 3.261 11.692 1.00 0.00 C ATOM 1179 CG1 VAL A 74 4.798 2.485 11.683 1.00 0.00 C ATOM 1180 CG2 VAL A 74 2.396 2.475 10.984 1.00 0.00 C ATOM 0 H VAL A 74 1.351 4.763 12.878 1.00 0.00 H new ATOM 0 HA VAL A 74 3.297 2.760 13.788 1.00 0.00 H new ATOM 0 HB VAL A 74 3.638 4.194 11.147 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.071 2.244 10.656 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.584 3.089 12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.677 1.563 12.252 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.712 2.244 9.967 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.206 1.548 11.525 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.484 3.071 10.954 1.00 0.00 H new ATOM 1190 N GLU A 75 5.146 4.546 14.019 1.00 0.00 N ATOM 1191 CA GLU A 75 6.054 5.598 14.475 1.00 0.00 C ATOM 1192 C GLU A 75 6.668 6.359 13.296 1.00 0.00 C ATOM 1193 O GLU A 75 7.416 7.318 13.491 1.00 0.00 O ATOM 1194 CB GLU A 75 7.170 4.999 15.336 1.00 0.00 C ATOM 1195 CG GLU A 75 6.669 4.310 16.595 1.00 0.00 C ATOM 1196 CD GLU A 75 6.229 5.294 17.663 1.00 0.00 C ATOM 1197 OE1 GLU A 75 5.246 6.027 17.426 1.00 0.00 O ATOM 1198 OE2 GLU A 75 6.868 5.330 18.735 1.00 0.00 O ATOM 0 H GLU A 75 5.541 3.606 14.058 1.00 0.00 H new ATOM 0 HA GLU A 75 5.471 6.301 15.070 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.732 4.281 14.739 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.864 5.791 15.618 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.833 3.658 16.340 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.458 3.674 16.995 1.00 0.00 H new ATOM 1205 N GLN A 76 6.349 5.931 12.077 1.00 0.00 N ATOM 1206 CA GLN A 76 6.868 6.578 10.873 1.00 0.00 C ATOM 1207 C GLN A 76 8.387 6.667 10.901 1.00 0.00 C ATOM 1208 O GLN A 76 8.953 7.722 11.185 1.00 0.00 O ATOM 1209 CB GLN A 76 6.281 7.976 10.722 1.00 0.00 C ATOM 1210 CG GLN A 76 6.740 8.697 9.464 1.00 0.00 C ATOM 1211 CD GLN A 76 7.717 9.819 9.758 1.00 0.00 C ATOM 1212 OE1 GLN A 76 7.539 10.576 10.711 1.00 0.00 O ATOM 1213 NE2 GLN A 76 8.754 9.934 8.936 1.00 0.00 N ATOM 0 H GLN A 76 5.733 5.138 11.896 1.00 0.00 H new ATOM 0 HA GLN A 76 6.572 5.966 10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.193 7.905 10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.555 8.572 11.593 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.208 7.980 8.789 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.872 9.103 8.945 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.862 9.284 8.158 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.442 10.673 9.083 1.00 0.00 H new ATOM 1222 N TYR A 77 9.040 5.559 10.588 1.00 0.00 N ATOM 1223 CA TYR A 77 10.494 5.517 10.562 1.00 0.00 C ATOM 1224 C TYR A 77 10.989 4.349 9.709 1.00 0.00 C ATOM 1225 O TYR A 77 11.596 4.564 8.659 1.00 0.00 O ATOM 1226 CB TYR A 77 11.057 5.449 11.987 1.00 0.00 C ATOM 1227 CG TYR A 77 12.483 5.940 12.108 1.00 0.00 C ATOM 1228 CD1 TYR A 77 13.488 5.430 11.292 1.00 0.00 C ATOM 1229 CD2 TYR A 77 12.824 6.906 13.046 1.00 0.00 C ATOM 1230 CE1 TYR A 77 14.792 5.873 11.412 1.00 0.00 C ATOM 1231 CE2 TYR A 77 14.125 7.355 13.168 1.00 0.00 C ATOM 1232 CZ TYR A 77 15.104 6.835 12.351 1.00 0.00 C ATOM 1233 OH TYR A 77 16.400 7.277 12.475 1.00 0.00 O ATOM 0 H TYR A 77 8.587 4.677 10.349 1.00 0.00 H new ATOM 0 HA TYR A 77 10.858 6.436 10.103 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.422 6.041 12.646 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.007 4.418 12.338 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.246 4.678 10.555 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.059 7.313 13.691 1.00 0.00 H new ATOM 0 HE1 TYR A 77 15.563 5.468 10.774 1.00 0.00 H new ATOM 0 HE2 TYR A 77 14.373 8.110 13.900 1.00 0.00 H new ATOM 0 HH TYR A 77 16.448 7.955 13.181 1.00 0.00 H new ATOM 1243 N PRO A 78 10.735 3.091 10.123 1.00 0.00 N ATOM 1244 CA PRO A 78 11.169 1.919 9.357 1.00 0.00 C ATOM 1245 C PRO A 78 10.381 1.739 8.061 1.00 0.00 C ATOM 1246 O PRO A 78 9.737 0.714 7.853 1.00 0.00 O ATOM 1247 CB PRO A 78 10.892 0.754 10.301 1.00 0.00 C ATOM 1248 CG PRO A 78 9.811 1.231 11.199 1.00 0.00 C ATOM 1249 CD PRO A 78 10.008 2.708 11.353 1.00 0.00 C ATOM 0 HA PRO A 78 12.211 2.005 9.050 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.583 -0.135 9.750 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.784 0.485 10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.830 1.012 10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.860 0.730 12.166 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.056 3.233 11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.582 2.945 12.249 1.00 0.00 H new ATOM 1257 N GLY A 79 10.437 2.738 7.193 1.00 0.00 N ATOM 1258 CA GLY A 79 9.716 2.658 5.932 1.00 0.00 C ATOM 1259 C GLY A 79 10.236 1.543 5.038 1.00 0.00 C ATOM 1260 O GLY A 79 11.358 1.614 4.537 1.00 0.00 O ATOM 0 H GLY A 79 10.965 3.599 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.657 2.496 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.800 3.610 5.407 1.00 0.00 H new ATOM 1264 N ILE A 80 9.417 0.513 4.846 1.00 0.00 N ATOM 1265 CA ILE A 80 9.781 -0.626 4.022 1.00 0.00 C ATOM 1266 C ILE A 80 8.617 -1.619 3.996 1.00 0.00 C ATOM 1267 O ILE A 80 7.457 -1.206 3.985 1.00 0.00 O ATOM 1268 CB ILE A 80 11.083 -1.294 4.547 1.00 0.00 C ATOM 1269 CG1 ILE A 80 11.702 -2.246 3.503 1.00 0.00 C ATOM 1270 CG2 ILE A 80 10.824 -2.030 5.858 1.00 0.00 C ATOM 1271 CD1 ILE A 80 11.490 -1.826 2.061 1.00 0.00 C ATOM 0 H ILE A 80 8.486 0.448 5.258 1.00 0.00 H new ATOM 0 HA ILE A 80 9.980 -0.289 3.005 1.00 0.00 H new ATOM 0 HB ILE A 80 11.804 -0.497 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.773 -2.324 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.281 -3.241 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.749 -2.489 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.465 -1.324 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.072 -2.803 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.958 -2.553 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.422 -1.777 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.937 -0.845 1.898 1.00 0.00 H new ATOM 1283 N ALA A 81 8.906 -2.917 4.000 1.00 0.00 N ATOM 1284 CA ALA A 81 7.859 -3.915 3.993 1.00 0.00 C ATOM 1285 C ALA A 81 7.056 -3.851 2.700 1.00 0.00 C ATOM 1286 O ALA A 81 5.870 -3.525 2.702 1.00 0.00 O ATOM 1287 CB ALA A 81 6.964 -3.720 5.203 1.00 0.00 C ATOM 0 H ALA A 81 9.854 -3.294 4.008 1.00 0.00 H new ATOM 0 HA ALA A 81 8.311 -4.905 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.175 -4.472 5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.555 -3.821 6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.518 -2.726 5.169 1.00 0.00 H new ATOM 1293 N VAL A 82 7.719 -4.166 1.595 1.00 0.00 N ATOM 1294 CA VAL A 82 7.086 -4.154 0.284 1.00 0.00 C ATOM 1295 C VAL A 82 7.641 -5.274 -0.586 1.00 0.00 C ATOM 1296 O VAL A 82 8.854 -5.461 -0.673 1.00 0.00 O ATOM 1297 CB VAL A 82 7.295 -2.808 -0.439 1.00 0.00 C ATOM 1298 CG1 VAL A 82 6.633 -1.675 0.330 1.00 0.00 C ATOM 1299 CG2 VAL A 82 8.779 -2.531 -0.637 1.00 0.00 C ATOM 0 H VAL A 82 8.703 -4.435 1.582 1.00 0.00 H new ATOM 0 HA VAL A 82 6.018 -4.302 0.444 1.00 0.00 H new ATOM 0 HB VAL A 82 6.825 -2.871 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.793 -0.735 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.563 -1.868 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.068 -1.610 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.906 -1.577 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.274 -2.491 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.221 -3.326 -1.237 1.00 0.00 H new ATOM 1309 N GLU A 83 6.752 -6.015 -1.230 1.00 0.00 N ATOM 1310 CA GLU A 83 7.167 -7.111 -2.092 1.00 0.00 C ATOM 1311 C GLU A 83 6.369 -7.111 -3.384 1.00 0.00 C ATOM 1312 O GLU A 83 5.179 -6.797 -3.392 1.00 0.00 O ATOM 1313 CB GLU A 83 7.001 -8.454 -1.379 1.00 0.00 C ATOM 1314 CG GLU A 83 8.186 -9.384 -1.571 1.00 0.00 C ATOM 1315 CD GLU A 83 8.034 -10.279 -2.786 1.00 0.00 C ATOM 1316 OE1 GLU A 83 6.893 -10.438 -3.267 1.00 0.00 O ATOM 1317 OE2 GLU A 83 9.056 -10.820 -3.256 1.00 0.00 O ATOM 0 H GLU A 83 5.743 -5.878 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 83 8.221 -6.968 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.856 -8.277 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.099 -8.944 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.095 -8.792 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.306 -10.002 -0.681 1.00 0.00 H new ATOM 1324 N THR A 84 7.030 -7.470 -4.472 1.00 0.00 N ATOM 1325 CA THR A 84 6.377 -7.516 -5.766 1.00 0.00 C ATOM 1326 C THR A 84 6.404 -8.921 -6.339 1.00 0.00 C ATOM 1327 O THR A 84 6.992 -9.840 -5.768 1.00 0.00 O ATOM 1328 CB THR A 84 7.042 -6.554 -6.752 1.00 0.00 C ATOM 1329 OG1 THR A 84 8.430 -6.440 -6.491 1.00 0.00 O ATOM 1330 CG2 THR A 84 6.449 -5.164 -6.726 1.00 0.00 C ATOM 0 H THR A 84 8.015 -7.733 -4.483 1.00 0.00 H new ATOM 0 HA THR A 84 5.341 -7.212 -5.617 1.00 0.00 H new ATOM 0 HB THR A 84 6.864 -6.986 -7.737 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.834 -5.821 -7.135 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.967 -4.534 -7.449 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.391 -5.215 -6.982 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.561 -4.739 -5.728 1.00 0.00 H new ATOM 1338 N VAL A 85 5.755 -9.059 -7.473 1.00 0.00 N ATOM 1339 CA VAL A 85 5.663 -10.325 -8.179 1.00 0.00 C ATOM 1340 C VAL A 85 7.006 -10.730 -8.784 1.00 0.00 C ATOM 1341 O VAL A 85 7.451 -10.156 -9.777 1.00 0.00 O ATOM 1342 CB VAL A 85 4.615 -10.217 -9.293 1.00 0.00 C ATOM 1343 CG1 VAL A 85 3.215 -10.223 -8.691 1.00 0.00 C ATOM 1344 CG2 VAL A 85 4.852 -8.952 -10.118 1.00 0.00 C ATOM 0 H VAL A 85 5.271 -8.291 -7.938 1.00 0.00 H new ATOM 0 HA VAL A 85 5.370 -11.090 -7.460 1.00 0.00 H new ATOM 0 HB VAL A 85 4.706 -11.076 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.476 -10.146 -9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.060 -11.151 -8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.107 -9.376 -8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.102 -8.886 -10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.778 -8.077 -9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.845 -8.990 -10.565 1.00 0.00 H new ATOM 1354 N THR A 86 7.644 -11.723 -8.175 1.00 0.00 N ATOM 1355 CA THR A 86 8.936 -12.212 -8.642 1.00 0.00 C ATOM 1356 C THR A 86 8.832 -12.827 -10.036 1.00 0.00 C ATOM 1357 O THR A 86 9.748 -12.692 -10.848 1.00 0.00 O ATOM 1358 CB THR A 86 9.493 -13.240 -7.654 1.00 0.00 C ATOM 1359 OG1 THR A 86 8.705 -13.279 -6.479 1.00 0.00 O ATOM 1360 CG2 THR A 86 10.920 -12.959 -7.236 1.00 0.00 C ATOM 0 H THR A 86 7.285 -12.207 -7.352 1.00 0.00 H new ATOM 0 HA THR A 86 9.615 -11.362 -8.703 1.00 0.00 H new ATOM 0 HB THR A 86 9.467 -14.193 -8.183 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.037 -12.614 -5.840 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.252 -13.726 -6.536 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.565 -12.967 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.973 -11.982 -6.756 1.00 0.00 H new ATOM 1368 N ASP A 87 7.720 -13.505 -10.315 1.00 0.00 N ATOM 1369 CA ASP A 87 7.518 -14.135 -11.618 1.00 0.00 C ATOM 1370 C ASP A 87 6.635 -13.276 -12.525 1.00 0.00 C ATOM 1371 O ASP A 87 6.162 -13.740 -13.562 1.00 0.00 O ATOM 1372 CB ASP A 87 6.897 -15.528 -11.448 1.00 0.00 C ATOM 1373 CG ASP A 87 7.898 -16.647 -11.677 1.00 0.00 C ATOM 1374 OD1 ASP A 87 9.043 -16.350 -12.081 1.00 0.00 O ATOM 1375 OD2 ASP A 87 7.537 -17.822 -11.450 1.00 0.00 O ATOM 0 H ASP A 87 6.949 -13.632 -9.660 1.00 0.00 H new ATOM 0 HA ASP A 87 8.495 -14.233 -12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.482 -15.617 -10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.067 -15.639 -12.146 1.00 0.00 H new ATOM 1380 N SER A 88 6.412 -12.026 -12.133 1.00 0.00 N ATOM 1381 CA SER A 88 5.581 -11.120 -12.917 1.00 0.00 C ATOM 1382 C SER A 88 4.134 -11.596 -12.959 1.00 0.00 C ATOM 1383 O SER A 88 3.791 -12.507 -13.713 1.00 0.00 O ATOM 1384 CB SER A 88 6.119 -10.989 -14.342 1.00 0.00 C ATOM 1385 OG SER A 88 7.533 -10.960 -14.355 1.00 0.00 O ATOM 0 H SER A 88 6.794 -11.618 -11.280 1.00 0.00 H new ATOM 0 HA SER A 88 5.613 -10.145 -12.432 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.764 -11.825 -14.945 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.730 -10.079 -14.798 1.00 0.00 H new ATOM 0 HG SER A 88 7.850 -10.877 -15.279 1.00 0.00 H new ATOM 1391 N SER A 89 3.288 -10.963 -12.154 1.00 0.00 N ATOM 1392 CA SER A 89 1.876 -11.306 -12.107 1.00 0.00 C ATOM 1393 C SER A 89 1.016 -10.046 -12.016 1.00 0.00 C ATOM 1394 O SER A 89 1.522 -8.943 -11.814 1.00 0.00 O ATOM 1395 CB SER A 89 1.583 -12.241 -10.935 1.00 0.00 C ATOM 1396 OG SER A 89 0.751 -13.312 -11.344 1.00 0.00 O ATOM 0 H SER A 89 3.559 -10.208 -11.524 1.00 0.00 H new ATOM 0 HA SER A 89 1.624 -11.827 -13.031 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.518 -12.633 -10.534 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.100 -11.685 -10.132 1.00 0.00 H new ATOM 0 HG SER A 89 0.576 -13.901 -10.580 1.00 0.00 H new ATOM 1402 N ARG A 90 -0.284 -10.226 -12.191 1.00 0.00 N ATOM 1403 CA ARG A 90 -1.241 -9.118 -12.164 1.00 0.00 C ATOM 1404 C ARG A 90 -1.592 -8.644 -10.744 1.00 0.00 C ATOM 1405 O ARG A 90 -2.687 -8.130 -10.514 1.00 0.00 O ATOM 1406 CB ARG A 90 -2.509 -9.521 -12.920 1.00 0.00 C ATOM 1407 CG ARG A 90 -3.215 -10.734 -12.336 1.00 0.00 C ATOM 1408 CD ARG A 90 -2.684 -12.040 -12.915 1.00 0.00 C ATOM 1409 NE ARG A 90 -2.883 -13.159 -11.995 1.00 0.00 N ATOM 1410 CZ ARG A 90 -3.191 -14.396 -12.379 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -3.289 -14.696 -13.668 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -3.391 -15.339 -11.466 1.00 0.00 N ATOM 0 H ARG A 90 -0.709 -11.138 -12.355 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.761 -8.271 -12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.200 -8.678 -12.926 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.251 -9.728 -13.958 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.089 -10.740 -11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.285 -10.660 -12.532 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.187 -12.251 -13.859 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.622 -11.935 -13.136 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.779 -12.981 -10.996 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.128 -13.976 -14.373 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.525 -15.646 -13.954 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.309 -15.115 -10.474 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.627 -16.288 -11.756 1.00 0.00 H new ATOM 1426 N TYR A 91 -0.665 -8.797 -9.799 1.00 0.00 N ATOM 1427 CA TYR A 91 -0.898 -8.357 -8.423 1.00 0.00 C ATOM 1428 C TYR A 91 0.422 -7.917 -7.775 1.00 0.00 C ATOM 1429 O TYR A 91 1.443 -7.815 -8.450 1.00 0.00 O ATOM 1430 CB TYR A 91 -1.556 -9.483 -7.611 1.00 0.00 C ATOM 1431 CG TYR A 91 -0.575 -10.268 -6.770 1.00 0.00 C ATOM 1432 CD1 TYR A 91 0.299 -11.156 -7.369 1.00 0.00 C ATOM 1433 CD2 TYR A 91 -0.503 -10.103 -5.391 1.00 0.00 C ATOM 1434 CE1 TYR A 91 1.215 -11.864 -6.626 1.00 0.00 C ATOM 1435 CE2 TYR A 91 0.420 -10.807 -4.638 1.00 0.00 C ATOM 1436 CZ TYR A 91 1.276 -11.688 -5.263 1.00 0.00 C ATOM 1437 OH TYR A 91 2.199 -12.393 -4.523 1.00 0.00 O ATOM 0 H TYR A 91 0.249 -9.220 -9.959 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.574 -7.502 -8.435 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.319 -9.054 -6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.065 -10.164 -8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.262 -11.296 -8.439 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.177 -9.416 -4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.885 -12.557 -7.112 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.469 -10.667 -3.568 1.00 0.00 H new ATOM 0 HH TYR A 91 2.112 -12.153 -3.577 1.00 0.00 H new ATOM 1447 N PHE A 92 0.394 -7.654 -6.472 1.00 0.00 N ATOM 1448 CA PHE A 92 1.589 -7.230 -5.744 1.00 0.00 C ATOM 1449 C PHE A 92 1.339 -7.306 -4.239 1.00 0.00 C ATOM 1450 O PHE A 92 0.197 -7.440 -3.798 1.00 0.00 O ATOM 1451 CB PHE A 92 1.992 -5.810 -6.150 1.00 0.00 C ATOM 1452 CG PHE A 92 0.822 -4.915 -6.424 1.00 0.00 C ATOM 1453 CD1 PHE A 92 0.156 -4.969 -7.636 1.00 0.00 C ATOM 1454 CD2 PHE A 92 0.376 -4.033 -5.461 1.00 0.00 C ATOM 1455 CE1 PHE A 92 -0.929 -4.159 -7.881 1.00 0.00 C ATOM 1456 CE2 PHE A 92 -0.715 -3.219 -5.700 1.00 0.00 C ATOM 1457 CZ PHE A 92 -1.368 -3.283 -6.911 1.00 0.00 C ATOM 0 H PHE A 92 -0.445 -7.727 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 92 2.409 -7.902 -5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 92 2.598 -5.371 -5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.619 -5.859 -7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.492 -5.655 -8.399 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.885 -3.978 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.437 -4.209 -8.833 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.055 -2.533 -4.938 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.221 -2.649 -7.100 1.00 0.00 H new ATOM 1467 N VAL A 93 2.408 -7.237 -3.455 1.00 0.00 N ATOM 1468 CA VAL A 93 2.293 -7.317 -2.001 1.00 0.00 C ATOM 1469 C VAL A 93 2.770 -6.029 -1.332 1.00 0.00 C ATOM 1470 O VAL A 93 3.768 -5.437 -1.744 1.00 0.00 O ATOM 1471 CB VAL A 93 3.100 -8.511 -1.451 1.00 0.00 C ATOM 1472 CG1 VAL A 93 2.784 -8.751 0.017 1.00 0.00 C ATOM 1473 CG2 VAL A 93 2.823 -9.763 -2.273 1.00 0.00 C ATOM 0 H VAL A 93 3.362 -7.126 -3.798 1.00 0.00 H new ATOM 0 HA VAL A 93 1.238 -7.460 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 93 4.160 -8.272 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.366 -9.598 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.038 -7.862 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.721 -8.965 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.400 -10.596 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.760 -10.001 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.110 -9.588 -3.310 1.00 0.00 H new ATOM 1483 N ILE A 94 2.049 -5.596 -0.296 1.00 0.00 N ATOM 1484 CA ILE A 94 2.399 -4.377 0.425 1.00 0.00 C ATOM 1485 C ILE A 94 2.362 -4.601 1.928 1.00 0.00 C ATOM 1486 O ILE A 94 1.476 -5.279 2.446 1.00 0.00 O ATOM 1487 CB ILE A 94 1.441 -3.223 0.080 1.00 0.00 C ATOM 1488 CG1 ILE A 94 1.897 -1.925 0.763 1.00 0.00 C ATOM 1489 CG2 ILE A 94 0.017 -3.586 0.490 1.00 0.00 C ATOM 1490 CD1 ILE A 94 1.404 -1.772 2.187 1.00 0.00 C ATOM 0 H ILE A 94 1.221 -6.073 0.060 1.00 0.00 H new ATOM 0 HA ILE A 94 3.410 -4.111 0.117 1.00 0.00 H new ATOM 0 HB ILE A 94 1.457 -3.059 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.986 -1.889 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.549 -1.076 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.654 -2.763 0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.297 -4.484 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.017 -3.771 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.768 -0.831 2.599 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.314 -1.775 2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.774 -2.600 2.791 1.00 0.00 H new ATOM 1502 N ARG A 95 3.327 -4.022 2.622 1.00 0.00 N ATOM 1503 CA ARG A 95 3.405 -4.152 4.067 1.00 0.00 C ATOM 1504 C ARG A 95 3.889 -2.850 4.702 1.00 0.00 C ATOM 1505 O ARG A 95 4.449 -1.988 4.024 1.00 0.00 O ATOM 1506 CB ARG A 95 4.338 -5.306 4.443 1.00 0.00 C ATOM 1507 CG ARG A 95 4.467 -5.526 5.945 1.00 0.00 C ATOM 1508 CD ARG A 95 5.459 -6.627 6.274 1.00 0.00 C ATOM 1509 NE ARG A 95 4.983 -7.499 7.354 1.00 0.00 N ATOM 1510 CZ ARG A 95 5.733 -7.915 8.371 1.00 0.00 C ATOM 1511 NH1 ARG A 95 6.990 -7.511 8.498 1.00 0.00 N ATOM 1512 NH2 ARG A 95 5.214 -8.731 9.279 1.00 0.00 N ATOM 0 H ARG A 95 4.068 -3.457 2.208 1.00 0.00 H new ATOM 0 HA ARG A 95 2.407 -4.367 4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 95 3.972 -6.223 3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.327 -5.112 4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.783 -4.598 6.422 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.492 -5.781 6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.644 -7.225 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.411 -6.181 6.562 1.00 0.00 H new ATOM 0 HE ARG A 95 4.011 -7.807 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.393 -6.874 7.811 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.554 -7.838 9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.244 -9.036 9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.785 -9.053 10.061 1.00 0.00 H new ATOM 1526 N ILE A 96 3.672 -2.719 6.005 1.00 0.00 N ATOM 1527 CA ILE A 96 4.091 -1.534 6.742 1.00 0.00 C ATOM 1528 C ILE A 96 4.983 -1.941 7.911 1.00 0.00 C ATOM 1529 O ILE A 96 4.800 -3.012 8.483 1.00 0.00 O ATOM 1530 CB ILE A 96 2.875 -0.744 7.276 1.00 0.00 C ATOM 1531 CG1 ILE A 96 1.829 -0.556 6.172 1.00 0.00 C ATOM 1532 CG2 ILE A 96 3.316 0.606 7.830 1.00 0.00 C ATOM 1533 CD1 ILE A 96 2.328 0.264 5.001 1.00 0.00 C ATOM 0 H ILE A 96 3.205 -3.424 6.576 1.00 0.00 H new ATOM 0 HA ILE A 96 4.644 -0.891 6.057 1.00 0.00 H new ATOM 0 HB ILE A 96 2.422 -1.316 8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.513 -1.535 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.949 -0.072 6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.447 1.148 8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.023 0.451 8.645 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.794 1.185 7.040 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.536 0.357 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.617 1.256 5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.190 -0.229 4.553 1.00 0.00 H new ATOM 1545 N GLN A 97 5.942 -1.087 8.263 1.00 0.00 N ATOM 1546 CA GLN A 97 6.849 -1.382 9.373 1.00 0.00 C ATOM 1547 C GLN A 97 6.663 -0.383 10.511 1.00 0.00 C ATOM 1548 O GLN A 97 6.554 0.819 10.277 1.00 0.00 O ATOM 1549 CB GLN A 97 8.304 -1.369 8.902 1.00 0.00 C ATOM 1550 CG GLN A 97 9.148 -2.487 9.497 1.00 0.00 C ATOM 1551 CD GLN A 97 10.519 -2.593 8.856 1.00 0.00 C ATOM 1552 OE1 GLN A 97 11.192 -1.590 8.627 1.00 0.00 O ATOM 1553 NE2 GLN A 97 10.941 -3.817 8.564 1.00 0.00 N ATOM 0 H GLN A 97 6.111 -0.193 7.802 1.00 0.00 H new ATOM 0 HA GLN A 97 6.607 -2.379 9.742 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.326 -1.448 7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.752 -0.410 9.161 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.264 -2.318 10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.623 -3.435 9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.351 -4.623 8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.856 -3.952 8.133 1.00 0.00 H new ATOM 1562 N ASP A 98 6.641 -0.885 11.745 1.00 0.00 N ATOM 1563 CA ASP A 98 6.476 -0.027 12.913 1.00 0.00 C ATOM 1564 C ASP A 98 7.613 -0.235 13.903 1.00 0.00 C ATOM 1565 O ASP A 98 7.664 -1.244 14.607 1.00 0.00 O ATOM 1566 CB ASP A 98 5.128 -0.297 13.591 1.00 0.00 C ATOM 1567 CG ASP A 98 4.864 0.630 14.765 1.00 0.00 C ATOM 1568 OD1 ASP A 98 5.840 1.087 15.397 1.00 0.00 O ATOM 1569 OD2 ASP A 98 3.679 0.892 15.056 1.00 0.00 O ATOM 0 H ASP A 98 6.735 -1.878 11.959 1.00 0.00 H new ATOM 0 HA ASP A 98 6.498 1.010 12.577 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.329 -0.185 12.858 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.101 -1.330 13.937 1.00 0.00 H new ATOM 1574 N GLY A 99 8.523 0.732 13.946 1.00 0.00 N ATOM 1575 CA GLY A 99 9.657 0.658 14.846 1.00 0.00 C ATOM 1576 C GLY A 99 10.627 -0.461 14.501 1.00 0.00 C ATOM 1577 O GLY A 99 11.599 -0.677 15.224 1.00 0.00 O ATOM 0 H GLY A 99 8.494 1.572 13.368 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.189 1.609 14.828 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.295 0.515 15.864 1.00 0.00 H new ATOM 1581 N THR A 100 10.356 -1.185 13.410 1.00 0.00 N ATOM 1582 CA THR A 100 11.200 -2.300 12.973 1.00 0.00 C ATOM 1583 C THR A 100 10.853 -3.580 13.731 1.00 0.00 C ATOM 1584 O THR A 100 11.044 -4.683 13.216 1.00 0.00 O ATOM 1585 CB THR A 100 12.695 -1.991 13.136 1.00 0.00 C ATOM 1586 OG1 THR A 100 13.151 -2.344 14.430 1.00 0.00 O ATOM 1587 CG2 THR A 100 13.052 -0.540 12.911 1.00 0.00 C ATOM 0 H THR A 100 9.550 -1.015 12.809 1.00 0.00 H new ATOM 0 HA THR A 100 10.999 -2.447 11.912 1.00 0.00 H new ATOM 0 HB THR A 100 13.182 -2.588 12.365 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.861 -1.666 15.075 1.00 0.00 H new ATOM 0 HG21 THR A 100 14.125 -0.404 13.045 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.773 -0.249 11.898 1.00 0.00 H new ATOM 0 HG23 THR A 100 12.516 0.082 13.628 1.00 0.00 H new ATOM 1595 N GLY A 101 10.350 -3.431 14.956 1.00 0.00 N ATOM 1596 CA GLY A 101 9.988 -4.582 15.767 1.00 0.00 C ATOM 1597 C GLY A 101 8.667 -5.206 15.354 1.00 0.00 C ATOM 1598 O GLY A 101 8.603 -6.392 15.034 1.00 0.00 O ATOM 0 H GLY A 101 10.186 -2.529 15.402 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.776 -5.332 15.696 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.929 -4.279 16.812 1.00 0.00 H new ATOM 1602 N ARG A 102 7.609 -4.403 15.379 1.00 0.00 N ATOM 1603 CA ARG A 102 6.275 -4.884 15.020 1.00 0.00 C ATOM 1604 C ARG A 102 5.826 -4.299 13.685 1.00 0.00 C ATOM 1605 O ARG A 102 6.039 -3.120 13.411 1.00 0.00 O ATOM 1606 CB ARG A 102 5.268 -4.529 16.120 1.00 0.00 C ATOM 1607 CG ARG A 102 3.921 -5.217 15.967 1.00 0.00 C ATOM 1608 CD ARG A 102 3.986 -6.680 16.381 1.00 0.00 C ATOM 1609 NE ARG A 102 3.464 -6.895 17.731 1.00 0.00 N ATOM 1610 CZ ARG A 102 4.225 -7.098 18.807 1.00 0.00 C ATOM 1611 NH1 ARG A 102 5.550 -7.096 18.708 1.00 0.00 N ATOM 1612 NH2 ARG A 102 3.659 -7.300 19.989 1.00 0.00 N ATOM 0 H ARG A 102 7.646 -3.418 15.643 1.00 0.00 H new ATOM 0 HA ARG A 102 6.320 -5.968 14.919 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.693 -4.795 17.088 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.115 -3.450 16.125 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.177 -4.700 16.573 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.592 -5.146 14.930 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.417 -7.282 15.673 1.00 0.00 H new ATOM 0 HD3 ARG A 102 5.019 -7.024 16.334 1.00 0.00 H new ATOM 0 HE ARG A 102 2.452 -6.889 17.857 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.994 -6.938 17.803 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.124 -7.252 19.537 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.643 -7.300 20.074 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.240 -7.455 20.813 1.00 0.00 H new ATOM 1626 N SER A 103 5.214 -5.138 12.851 1.00 0.00 N ATOM 1627 CA SER A 103 4.748 -4.708 11.536 1.00 0.00 C ATOM 1628 C SER A 103 3.697 -5.670 10.976 1.00 0.00 C ATOM 1629 O SER A 103 3.606 -6.820 11.407 1.00 0.00 O ATOM 1630 CB SER A 103 5.932 -4.617 10.576 1.00 0.00 C ATOM 1631 OG SER A 103 7.161 -4.546 11.279 1.00 0.00 O ATOM 0 H SER A 103 5.030 -6.119 13.063 1.00 0.00 H new ATOM 0 HA SER A 103 4.284 -3.727 11.642 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.937 -5.486 9.918 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.822 -3.737 9.942 1.00 0.00 H new ATOM 0 HG SER A 103 7.870 -4.956 10.741 1.00 0.00 H new ATOM 1637 N ALA A 104 2.902 -5.189 10.014 1.00 0.00 N ATOM 1638 CA ALA A 104 1.853 -6.014 9.403 1.00 0.00 C ATOM 1639 C ALA A 104 1.850 -5.883 7.877 1.00 0.00 C ATOM 1640 O ALA A 104 2.039 -4.788 7.345 1.00 0.00 O ATOM 1641 CB ALA A 104 0.493 -5.630 9.971 1.00 0.00 C ATOM 0 H ALA A 104 2.963 -4.241 9.644 1.00 0.00 H new ATOM 0 HA ALA A 104 2.062 -7.057 9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.280 -6.247 9.513 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.491 -5.788 11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.293 -4.580 9.758 1.00 0.00 H new ATOM 1647 N PHE A 105 1.631 -7.002 7.172 1.00 0.00 N ATOM 1648 CA PHE A 105 1.607 -6.990 5.706 1.00 0.00 C ATOM 1649 C PHE A 105 0.227 -7.313 5.160 1.00 0.00 C ATOM 1650 O PHE A 105 -0.567 -7.993 5.808 1.00 0.00 O ATOM 1651 CB PHE A 105 2.644 -7.969 5.128 1.00 0.00 C ATOM 1652 CG PHE A 105 2.094 -9.305 4.694 1.00 0.00 C ATOM 1653 CD1 PHE A 105 1.455 -9.441 3.471 1.00 0.00 C ATOM 1654 CD2 PHE A 105 2.230 -10.421 5.502 1.00 0.00 C ATOM 1655 CE1 PHE A 105 0.960 -10.667 3.065 1.00 0.00 C ATOM 1656 CE2 PHE A 105 1.735 -11.649 5.101 1.00 0.00 C ATOM 1657 CZ PHE A 105 1.100 -11.772 3.881 1.00 0.00 C ATOM 0 H PHE A 105 1.469 -7.918 7.590 1.00 0.00 H new ATOM 0 HA PHE A 105 1.865 -5.978 5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.127 -7.498 4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.417 -8.138 5.877 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.343 -8.580 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 105 2.728 -10.332 6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.464 -10.760 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.845 -12.511 5.742 1.00 0.00 H new ATOM 0 HZ PHE A 105 0.714 -12.730 3.566 1.00 0.00 H new ATOM 1667 N ILE A 106 -0.034 -6.825 3.949 1.00 0.00 N ATOM 1668 CA ILE A 106 -1.304 -7.050 3.275 1.00 0.00 C ATOM 1669 C ILE A 106 -1.082 -7.154 1.767 1.00 0.00 C ATOM 1670 O ILE A 106 -0.033 -6.759 1.258 1.00 0.00 O ATOM 1671 CB ILE A 106 -2.303 -5.904 3.551 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -2.244 -5.460 5.023 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -3.715 -6.321 3.166 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -2.947 -6.394 5.992 1.00 0.00 C ATOM 0 H ILE A 106 0.628 -6.265 3.412 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.721 -7.980 3.663 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.018 -5.051 2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.199 -5.368 5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.688 -4.468 5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.404 -5.501 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.745 -6.568 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.009 -7.194 3.750 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.855 -6.003 7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -4.001 -6.468 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.490 -7.382 5.941 1.00 0.00 H new ATOM 1686 N GLY A 107 -2.067 -7.679 1.055 1.00 0.00 N ATOM 1687 CA GLY A 107 -1.943 -7.808 -0.386 1.00 0.00 C ATOM 1688 C GLY A 107 -2.813 -6.812 -1.123 1.00 0.00 C ATOM 1689 O GLY A 107 -3.952 -6.579 -0.738 1.00 0.00 O ATOM 0 H GLY A 107 -2.947 -8.017 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.902 -7.663 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -2.218 -8.820 -0.684 1.00 0.00 H new ATOM 1693 N ILE A 108 -2.273 -6.222 -2.182 1.00 0.00 N ATOM 1694 CA ILE A 108 -3.013 -5.240 -2.967 1.00 0.00 C ATOM 1695 C ILE A 108 -2.857 -5.507 -4.460 1.00 0.00 C ATOM 1696 O ILE A 108 -1.787 -5.909 -4.919 1.00 0.00 O ATOM 1697 CB ILE A 108 -2.534 -3.808 -2.663 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -1.010 -3.779 -2.567 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -3.165 -3.293 -1.376 1.00 0.00 C ATOM 1700 CD1 ILE A 108 -0.430 -2.383 -2.474 1.00 0.00 C ATOM 0 H ILE A 108 -1.327 -6.405 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.063 -5.333 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 108 -2.846 -3.153 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.699 -4.350 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -0.591 -4.279 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.814 -2.280 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -4.250 -3.287 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.883 -3.943 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.656 -2.444 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.709 -1.813 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.819 -1.886 -1.586 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.926 -5.281 -5.215 1.00 0.00 N ATOM 1713 CA GLY A 109 -3.873 -5.503 -6.647 1.00 0.00 C ATOM 1714 C GLY A 109 -5.132 -5.060 -7.361 1.00 0.00 C ATOM 1715 O GLY A 109 -5.964 -4.352 -6.792 1.00 0.00 O ATOM 0 H GLY A 109 -4.824 -4.950 -4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.019 -4.966 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.707 -6.563 -6.839 1.00 0.00 H new ATOM 1719 N PHE A 110 -5.265 -5.475 -8.616 1.00 0.00 N ATOM 1720 CA PHE A 110 -6.422 -5.117 -9.424 1.00 0.00 C ATOM 1721 C PHE A 110 -6.652 -6.137 -10.532 1.00 0.00 C ATOM 1722 O PHE A 110 -5.762 -6.921 -10.865 1.00 0.00 O ATOM 1723 CB PHE A 110 -6.231 -3.727 -10.037 1.00 0.00 C ATOM 1724 CG PHE A 110 -7.497 -2.922 -10.105 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -8.357 -2.871 -9.021 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -7.824 -2.214 -11.250 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -9.520 -2.128 -9.078 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -8.987 -1.470 -11.312 1.00 0.00 C ATOM 1729 CZ PHE A 110 -9.836 -1.427 -10.224 1.00 0.00 C ATOM 0 H PHE A 110 -4.582 -6.062 -9.096 1.00 0.00 H new ATOM 0 HA PHE A 110 -7.296 -5.108 -8.773 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.493 -3.179 -9.452 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.824 -3.835 -11.042 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.116 -3.418 -8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.163 -2.244 -12.103 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -10.182 -2.096 -8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.231 -0.923 -12.210 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.745 -0.846 -10.270 1.00 0.00 H new ATOM 1739 N THR A 111 -7.849 -6.110 -11.103 1.00 0.00 N ATOM 1740 CA THR A 111 -8.209 -7.020 -12.183 1.00 0.00 C ATOM 1741 C THR A 111 -7.386 -6.745 -13.444 1.00 0.00 C ATOM 1742 O THR A 111 -7.502 -7.468 -14.433 1.00 0.00 O ATOM 1743 CB THR A 111 -9.700 -6.897 -12.493 1.00 0.00 C ATOM 1744 OG1 THR A 111 -10.079 -5.536 -12.592 1.00 0.00 O ATOM 1745 CG2 THR A 111 -10.581 -7.544 -11.446 1.00 0.00 C ATOM 0 H THR A 111 -8.591 -5.464 -10.834 1.00 0.00 H new ATOM 0 HA THR A 111 -7.989 -8.036 -11.855 1.00 0.00 H new ATOM 0 HB THR A 111 -9.845 -7.417 -13.440 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.036 -5.477 -12.793 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.628 -7.422 -11.725 1.00 0.00 H new ATOM 0 HG22 THR A 111 -10.345 -8.606 -11.378 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.405 -7.071 -10.480 1.00 0.00 H new ATOM 1753 N ASP A 112 -6.551 -5.705 -13.407 1.00 0.00 N ATOM 1754 CA ASP A 112 -5.716 -5.353 -14.552 1.00 0.00 C ATOM 1755 C ASP A 112 -4.400 -4.730 -14.091 1.00 0.00 C ATOM 1756 O ASP A 112 -4.262 -4.331 -12.934 1.00 0.00 O ATOM 1757 CB ASP A 112 -6.459 -4.381 -15.472 1.00 0.00 C ATOM 1758 CG ASP A 112 -6.570 -4.895 -16.895 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -5.679 -5.659 -17.323 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -7.550 -4.533 -17.580 1.00 0.00 O ATOM 0 H ASP A 112 -6.437 -5.095 -12.598 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.493 -6.266 -15.104 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.458 -4.203 -15.075 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.941 -3.422 -15.475 1.00 0.00 H new ATOM 1765 N ARG A 113 -3.438 -4.650 -15.004 1.00 0.00 N ATOM 1766 CA ARG A 113 -2.134 -4.074 -14.691 1.00 0.00 C ATOM 1767 C ARG A 113 -2.148 -2.557 -14.870 1.00 0.00 C ATOM 1768 O ARG A 113 -1.430 -1.836 -14.178 1.00 0.00 O ATOM 1769 CB ARG A 113 -1.052 -4.693 -15.577 1.00 0.00 C ATOM 1770 CG ARG A 113 -1.377 -4.635 -17.061 1.00 0.00 C ATOM 1771 CD ARG A 113 -0.118 -4.706 -17.914 1.00 0.00 C ATOM 1772 NE ARG A 113 0.286 -3.392 -18.414 1.00 0.00 N ATOM 1773 CZ ARG A 113 1.198 -2.616 -17.830 1.00 0.00 C ATOM 1774 NH1 ARG A 113 1.812 -3.013 -16.721 1.00 0.00 N ATOM 1775 NH2 ARG A 113 1.495 -1.437 -18.358 1.00 0.00 N ATOM 0 H ARG A 113 -3.536 -4.976 -15.966 1.00 0.00 H new ATOM 0 HA ARG A 113 -1.910 -4.296 -13.647 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.109 -4.177 -15.399 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.906 -5.733 -15.285 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -2.040 -5.460 -17.321 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -1.914 -3.712 -17.281 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.694 -5.134 -17.326 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.289 -5.376 -18.756 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.159 -3.048 -19.265 1.00 0.00 H new ATOM 0 HH11 ARG A 113 1.587 -3.919 -16.310 1.00 0.00 H new ATOM 0 HH12 ARG A 113 2.509 -2.412 -16.281 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.026 -1.126 -19.209 1.00 0.00 H new ATOM 0 HH22 ARG A 113 2.193 -0.840 -17.914 1.00 0.00 H new ATOM 1789 N GLY A 114 -2.960 -2.085 -15.810 1.00 0.00 N ATOM 1790 CA GLY A 114 -3.048 -0.658 -16.076 1.00 0.00 C ATOM 1791 C GLY A 114 -3.387 0.164 -14.845 1.00 0.00 C ATOM 1792 O GLY A 114 -2.654 1.085 -14.485 1.00 0.00 O ATOM 0 H GLY A 114 -3.561 -2.666 -16.395 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -2.098 -0.313 -16.484 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -3.806 -0.484 -16.840 1.00 0.00 H new ATOM 1796 N ASP A 115 -4.503 -0.158 -14.202 1.00 0.00 N ATOM 1797 CA ASP A 115 -4.926 0.573 -13.013 1.00 0.00 C ATOM 1798 C ASP A 115 -3.921 0.385 -11.884 1.00 0.00 C ATOM 1799 O ASP A 115 -3.504 1.350 -11.243 1.00 0.00 O ATOM 1800 CB ASP A 115 -6.314 0.114 -12.565 1.00 0.00 C ATOM 1801 CG ASP A 115 -7.300 1.262 -12.472 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -6.933 2.317 -11.912 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -8.439 1.107 -12.960 1.00 0.00 O ATOM 0 H ASP A 115 -5.128 -0.915 -14.481 1.00 0.00 H new ATOM 0 HA ASP A 115 -4.974 1.633 -13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.692 -0.630 -13.266 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.236 -0.374 -11.594 1.00 0.00 H new ATOM 1808 N ALA A 116 -3.537 -0.865 -11.650 1.00 0.00 N ATOM 1809 CA ALA A 116 -2.579 -1.191 -10.602 1.00 0.00 C ATOM 1810 C ALA A 116 -1.306 -0.357 -10.736 1.00 0.00 C ATOM 1811 O ALA A 116 -0.575 -0.164 -9.765 1.00 0.00 O ATOM 1812 CB ALA A 116 -2.254 -2.674 -10.639 1.00 0.00 C ATOM 0 H ALA A 116 -3.876 -1.671 -12.175 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.030 -0.951 -9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.537 -2.909 -9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.166 -3.250 -10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.825 -2.928 -11.608 1.00 0.00 H new ATOM 1818 N PHE A 117 -1.050 0.135 -11.945 1.00 0.00 N ATOM 1819 CA PHE A 117 0.130 0.950 -12.205 1.00 0.00 C ATOM 1820 C PHE A 117 -0.047 2.358 -11.643 1.00 0.00 C ATOM 1821 O PHE A 117 0.757 2.817 -10.832 1.00 0.00 O ATOM 1822 CB PHE A 117 0.404 1.006 -13.712 1.00 0.00 C ATOM 1823 CG PHE A 117 1.399 2.057 -14.125 1.00 0.00 C ATOM 1824 CD1 PHE A 117 2.757 1.867 -13.918 1.00 0.00 C ATOM 1825 CD2 PHE A 117 0.975 3.232 -14.726 1.00 0.00 C ATOM 1826 CE1 PHE A 117 3.672 2.830 -14.303 1.00 0.00 C ATOM 1827 CE2 PHE A 117 1.886 4.198 -15.114 1.00 0.00 C ATOM 1828 CZ PHE A 117 3.235 3.996 -14.901 1.00 0.00 C ATOM 0 H PHE A 117 -1.645 -0.017 -12.759 1.00 0.00 H new ATOM 0 HA PHE A 117 0.984 0.493 -11.706 1.00 0.00 H new ATOM 0 HB2 PHE A 117 0.766 0.032 -14.039 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.536 1.188 -14.233 1.00 0.00 H new ATOM 0 HD1 PHE A 117 3.104 0.957 -13.451 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.079 3.395 -14.893 1.00 0.00 H new ATOM 0 HE1 PHE A 117 4.727 2.671 -14.136 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.543 5.108 -15.583 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.948 4.749 -15.202 1.00 0.00 H new ATOM 1838 N ASP A 118 -1.101 3.043 -12.085 1.00 0.00 N ATOM 1839 CA ASP A 118 -1.376 4.405 -11.629 1.00 0.00 C ATOM 1840 C ASP A 118 -1.343 4.505 -10.103 1.00 0.00 C ATOM 1841 O ASP A 118 -0.786 5.450 -9.549 1.00 0.00 O ATOM 1842 CB ASP A 118 -2.729 4.884 -12.159 1.00 0.00 C ATOM 1843 CG ASP A 118 -2.929 6.373 -11.956 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -2.031 7.152 -12.339 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -3.984 6.760 -11.409 1.00 0.00 O ATOM 0 H ASP A 118 -1.777 2.678 -12.756 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.590 5.049 -12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.805 4.650 -13.221 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.528 4.340 -11.655 1.00 0.00 H new ATOM 1850 N PHE A 119 -1.944 3.531 -9.424 1.00 0.00 N ATOM 1851 CA PHE A 119 -1.967 3.531 -7.962 1.00 0.00 C ATOM 1852 C PHE A 119 -0.552 3.377 -7.403 1.00 0.00 C ATOM 1853 O PHE A 119 -0.061 4.245 -6.683 1.00 0.00 O ATOM 1854 CB PHE A 119 -2.877 2.408 -7.431 1.00 0.00 C ATOM 1855 CG PHE A 119 -2.377 1.764 -6.163 1.00 0.00 C ATOM 1856 CD1 PHE A 119 -2.709 2.285 -4.920 1.00 0.00 C ATOM 1857 CD2 PHE A 119 -1.563 0.644 -6.216 1.00 0.00 C ATOM 1858 CE1 PHE A 119 -2.241 1.702 -3.761 1.00 0.00 C ATOM 1859 CE2 PHE A 119 -1.091 0.059 -5.059 1.00 0.00 C ATOM 1860 CZ PHE A 119 -1.431 0.588 -3.829 1.00 0.00 C ATOM 0 H PHE A 119 -2.418 2.738 -9.857 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.370 4.487 -7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -3.872 2.815 -7.252 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.979 1.642 -8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.342 3.158 -4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -1.295 0.224 -7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.509 2.118 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.456 -0.813 -5.115 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.063 0.130 -2.923 1.00 0.00 H new ATOM 1870 N ASN A 120 0.090 2.259 -7.728 1.00 0.00 N ATOM 1871 CA ASN A 120 1.443 1.977 -7.250 1.00 0.00 C ATOM 1872 C ASN A 120 2.371 3.173 -7.451 1.00 0.00 C ATOM 1873 O ASN A 120 3.069 3.587 -6.527 1.00 0.00 O ATOM 1874 CB ASN A 120 2.011 0.749 -7.965 1.00 0.00 C ATOM 1875 CG ASN A 120 2.183 -0.433 -7.032 1.00 0.00 C ATOM 1876 OD1 ASN A 120 2.991 -0.394 -6.104 1.00 0.00 O ATOM 1877 ND2 ASN A 120 1.423 -1.493 -7.274 1.00 0.00 N ATOM 0 H ASN A 120 -0.305 1.530 -8.322 1.00 0.00 H new ATOM 0 HA ASN A 120 1.381 1.776 -6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.348 0.469 -8.784 1.00 0.00 H new ATOM 0 HB3 ASN A 120 2.974 1.003 -8.408 1.00 0.00 H new ATOM 0 HD21 ASN A 120 1.495 -2.319 -6.680 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.766 -1.482 -8.054 1.00 0.00 H new ATOM 1884 N VAL A 121 2.379 3.719 -8.663 1.00 0.00 N ATOM 1885 CA VAL A 121 3.230 4.861 -8.975 1.00 0.00 C ATOM 1886 C VAL A 121 2.825 6.097 -8.173 1.00 0.00 C ATOM 1887 O VAL A 121 3.641 6.987 -7.938 1.00 0.00 O ATOM 1888 CB VAL A 121 3.197 5.200 -10.480 1.00 0.00 C ATOM 1889 CG1 VAL A 121 3.670 4.013 -11.303 1.00 0.00 C ATOM 1890 CG2 VAL A 121 1.803 5.631 -10.909 1.00 0.00 C ATOM 0 H VAL A 121 1.808 3.391 -9.442 1.00 0.00 H new ATOM 0 HA VAL A 121 4.245 4.575 -8.699 1.00 0.00 H new ATOM 0 HB VAL A 121 3.876 6.034 -10.656 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.640 4.270 -12.362 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.691 3.758 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.018 3.159 -11.118 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.806 5.865 -11.974 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.097 4.823 -10.717 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.506 6.515 -10.345 1.00 0.00 H new ATOM 1900 N SER A 122 1.564 6.147 -7.752 1.00 0.00 N ATOM 1901 CA SER A 122 1.066 7.278 -6.975 1.00 0.00 C ATOM 1902 C SER A 122 1.678 7.289 -5.575 1.00 0.00 C ATOM 1903 O SER A 122 2.222 8.302 -5.134 1.00 0.00 O ATOM 1904 CB SER A 122 -0.459 7.226 -6.874 1.00 0.00 C ATOM 1905 OG SER A 122 -0.869 6.387 -5.811 1.00 0.00 O ATOM 0 H SER A 122 0.871 5.421 -7.935 1.00 0.00 H new ATOM 0 HA SER A 122 1.358 8.194 -7.489 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.851 8.231 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.877 6.861 -7.812 1.00 0.00 H new ATOM 0 HG SER A 122 -1.021 5.480 -6.150 1.00 0.00 H new ATOM 1911 N LEU A 123 1.587 6.155 -4.884 1.00 0.00 N ATOM 1912 CA LEU A 123 2.135 6.031 -3.537 1.00 0.00 C ATOM 1913 C LEU A 123 3.631 6.314 -3.528 1.00 0.00 C ATOM 1914 O LEU A 123 4.151 6.920 -2.591 1.00 0.00 O ATOM 1915 CB LEU A 123 1.870 4.628 -2.984 1.00 0.00 C ATOM 1916 CG LEU A 123 2.180 4.460 -1.496 1.00 0.00 C ATOM 1917 CD1 LEU A 123 1.020 3.786 -0.779 1.00 0.00 C ATOM 1918 CD2 LEU A 123 3.465 3.669 -1.301 1.00 0.00 C ATOM 0 H LEU A 123 1.139 5.309 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 123 1.640 6.767 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.823 4.377 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 123 2.466 3.911 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 123 2.320 5.450 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.261 3.676 0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 123 0.123 4.396 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.844 2.803 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.667 3.561 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.357 2.683 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 123 4.292 4.196 -1.776 1.00 0.00 H new ATOM 1930 N GLN A 124 4.317 5.869 -4.574 1.00 0.00 N ATOM 1931 CA GLN A 124 5.754 6.072 -4.684 1.00 0.00 C ATOM 1932 C GLN A 124 6.088 7.552 -4.845 1.00 0.00 C ATOM 1933 O GLN A 124 6.878 8.107 -4.081 1.00 0.00 O ATOM 1934 CB GLN A 124 6.311 5.275 -5.867 1.00 0.00 C ATOM 1935 CG GLN A 124 7.344 4.243 -5.460 1.00 0.00 C ATOM 1936 CD GLN A 124 6.798 3.232 -4.472 1.00 0.00 C ATOM 1937 OE1 GLN A 124 5.665 3.349 -4.006 1.00 0.00 O ATOM 1938 NE2 GLN A 124 7.606 2.230 -4.148 1.00 0.00 N ATOM 0 H GLN A 124 3.900 5.366 -5.357 1.00 0.00 H new ATOM 0 HA GLN A 124 6.218 5.716 -3.764 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.489 4.774 -6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.759 5.965 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.701 3.722 -6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.204 4.748 -5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.538 2.173 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.295 1.517 -3.488 1.00 0.00 H new ATOM 1947 N ASP A 125 5.480 8.186 -5.844 1.00 0.00 N ATOM 1948 CA ASP A 125 5.711 9.603 -6.107 1.00 0.00 C ATOM 1949 C ASP A 125 5.515 10.434 -4.841 1.00 0.00 C ATOM 1950 O ASP A 125 6.276 11.363 -4.575 1.00 0.00 O ATOM 1951 CB ASP A 125 4.772 10.098 -7.210 1.00 0.00 C ATOM 1952 CG ASP A 125 5.267 9.732 -8.596 1.00 0.00 C ATOM 1953 OD1 ASP A 125 6.469 9.424 -8.736 1.00 0.00 O ATOM 1954 OD2 ASP A 125 4.452 9.754 -9.542 1.00 0.00 O ATOM 0 H ASP A 125 4.823 7.740 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 125 6.743 9.721 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 125 3.780 9.673 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.669 11.181 -7.138 1.00 0.00 H new ATOM 1959 N HIS A 126 4.491 10.095 -4.065 1.00 0.00 N ATOM 1960 CA HIS A 126 4.203 10.815 -2.830 1.00 0.00 C ATOM 1961 C HIS A 126 5.268 10.530 -1.769 1.00 0.00 C ATOM 1962 O HIS A 126 5.833 11.452 -1.180 1.00 0.00 O ATOM 1963 CB HIS A 126 2.815 10.432 -2.301 1.00 0.00 C ATOM 1964 CG HIS A 126 1.686 11.135 -2.992 1.00 0.00 C ATOM 1965 ND1 HIS A 126 0.357 10.877 -2.719 1.00 0.00 N ATOM 1966 CD2 HIS A 126 1.688 12.091 -3.952 1.00 0.00 C ATOM 1967 CE1 HIS A 126 -0.406 11.639 -3.481 1.00 0.00 C ATOM 1968 NE2 HIS A 126 0.376 12.386 -4.237 1.00 0.00 N ATOM 0 H HIS A 126 3.849 9.329 -4.268 1.00 0.00 H new ATOM 0 HA HIS A 126 4.216 11.883 -3.050 1.00 0.00 H new ATOM 0 HB2 HIS A 126 2.680 9.356 -2.409 1.00 0.00 H new ATOM 0 HB3 HIS A 126 2.770 10.654 -1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 126 2.559 12.538 -4.409 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.486 11.649 -3.485 1.00 0.00 H new ATOM 0 HE2 HIS A 126 0.058 13.072 -4.922 1.00 0.00 H new ATOM 1976 N PHE A 127 5.524 9.249 -1.520 1.00 0.00 N ATOM 1977 CA PHE A 127 6.506 8.844 -0.518 1.00 0.00 C ATOM 1978 C PHE A 127 7.918 9.283 -0.907 1.00 0.00 C ATOM 1979 O PHE A 127 8.398 10.318 -0.446 1.00 0.00 O ATOM 1980 CB PHE A 127 6.452 7.330 -0.300 1.00 0.00 C ATOM 1981 CG PHE A 127 7.159 6.877 0.947 1.00 0.00 C ATOM 1982 CD1 PHE A 127 8.541 6.933 1.036 1.00 0.00 C ATOM 1983 CD2 PHE A 127 6.440 6.395 2.029 1.00 0.00 C ATOM 1984 CE1 PHE A 127 9.193 6.519 2.183 1.00 0.00 C ATOM 1985 CE2 PHE A 127 7.087 5.978 3.178 1.00 0.00 C ATOM 1986 CZ PHE A 127 8.464 6.040 3.254 1.00 0.00 C ATOM 0 H PHE A 127 5.065 8.473 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 127 6.253 9.342 0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 127 5.410 7.015 -0.252 1.00 0.00 H new ATOM 0 HB3 PHE A 127 6.896 6.831 -1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 127 9.115 7.304 0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 127 5.363 6.344 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 127 10.270 6.570 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.516 5.604 4.015 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.971 5.714 4.150 1.00 0.00 H new ATOM 1996 N LYS A 128 8.584 8.499 -1.752 1.00 0.00 N ATOM 1997 CA LYS A 128 9.940 8.825 -2.184 1.00 0.00 C ATOM 1998 C LYS A 128 9.916 9.698 -3.433 1.00 0.00 C ATOM 1999 O LYS A 128 9.049 9.542 -4.292 1.00 0.00 O ATOM 2000 CB LYS A 128 10.741 7.548 -2.456 1.00 0.00 C ATOM 2001 CG LYS A 128 10.052 6.587 -3.415 1.00 0.00 C ATOM 2002 CD LYS A 128 9.536 5.347 -2.696 1.00 0.00 C ATOM 2003 CE LYS A 128 10.077 4.063 -3.313 1.00 0.00 C ATOM 2004 NZ LYS A 128 11.510 4.180 -3.692 1.00 0.00 N ATOM 0 H LYS A 128 8.209 7.638 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 128 10.423 9.380 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 128 11.714 7.820 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 128 10.924 7.036 -1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 128 9.222 7.095 -3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 128 10.751 6.290 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 128 9.821 5.392 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.447 5.335 -2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 128 9.956 3.243 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 128 9.489 3.811 -4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 11.953 3.240 -3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 11.584 4.573 -4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 11.996 4.810 -3.022 1.00 0.00 H new ATOM 2018 N TRP A 129 10.875 10.617 -3.534 1.00 0.00 N ATOM 2019 CA TRP A 129 10.964 11.512 -4.680 1.00 0.00 C ATOM 2020 C TRP A 129 12.407 11.971 -4.884 1.00 0.00 C ATOM 2021 O TRP A 129 12.839 12.970 -4.311 1.00 0.00 O ATOM 2022 CB TRP A 129 10.046 12.721 -4.484 1.00 0.00 C ATOM 2023 CG TRP A 129 10.080 13.700 -5.619 1.00 0.00 C ATOM 2024 CD1 TRP A 129 11.112 14.528 -5.958 1.00 0.00 C ATOM 2025 CD2 TRP A 129 9.031 13.962 -6.559 1.00 0.00 C ATOM 2026 NE1 TRP A 129 10.772 15.284 -7.053 1.00 0.00 N ATOM 2027 CE2 TRP A 129 9.499 14.954 -7.442 1.00 0.00 C ATOM 2028 CE3 TRP A 129 7.743 13.451 -6.744 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 8.723 15.446 -8.490 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 6.975 13.939 -7.784 1.00 0.00 C ATOM 2031 CH2 TRP A 129 7.466 14.927 -8.646 1.00 0.00 C ATOM 0 H TRP A 129 11.602 10.759 -2.833 1.00 0.00 H new ATOM 0 HA TRP A 129 10.641 10.970 -5.569 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.023 12.370 -4.350 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.329 13.235 -3.565 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.058 14.581 -5.440 1.00 0.00 H new ATOM 0 HE1 TRP A 129 11.369 15.978 -7.503 1.00 0.00 H new ATOM 0 HE3 TRP A 129 7.355 12.688 -6.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 9.100 16.209 -9.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 5.978 13.551 -7.935 1.00 0.00 H new ATOM 0 HH2 TRP A 129 6.841 15.287 -9.450 1.00 0.00 H new