USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 847 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 51 SER OG : rot -158:sc= 0.809 USER MOD Set 1.2: A 126 HIS : no HD1:sc= 0.604 K(o=1.4,f=-0.71) USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 166:sc= 1.11 (180deg=0.955) USER MOD Set 3.1: A 37 LYS NZ :NH3+ 150:sc= 0.753 (180deg=0) USER MOD Set 3.2: A 40 GLN : amide:sc= 0.212 K(o=0.96,f=-1.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.1 USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 2.47 (180deg=2.4) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 1:sc= 1.3 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 71:sc= 0.288 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 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= 0.354 K(o=0.35,f=-0.55) USER MOD Single : A 76 GLN : amide:sc= 0.0488 X(o=0.049,f=-0.17) 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 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -110:sc= 0.757 USER MOD Single : A 91 TYR OH : rot 30:sc= 0.335 USER MOD Single : A 97 GLN : amide:sc= 1.29 K(o=1.3,f=0) USER MOD Single : A 103 SER OG : rot -32:sc= 0.926 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.4) USER MOD Single : A 122 SER OG : rot -84:sc= 1.15 USER MOD Single : A 124 GLN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 128 LYS NZ :NH3+ 160:sc= 1.26 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 186 N SER A 9 -10.761 9.264 6.430 1.00 0.00 N ATOM 187 CA SER A 9 -11.916 8.373 6.540 1.00 0.00 C ATOM 188 C SER A 9 -11.596 6.928 6.133 1.00 0.00 C ATOM 189 O SER A 9 -11.059 6.692 5.054 1.00 0.00 O ATOM 190 CB SER A 9 -13.068 8.949 5.711 1.00 0.00 C ATOM 191 OG SER A 9 -14.308 8.599 6.304 1.00 0.00 O ATOM 0 HA SER A 9 -12.209 8.321 7.589 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.977 10.033 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.021 8.567 4.691 1.00 0.00 H new ATOM 0 HG SER A 9 -15.042 8.971 5.771 1.00 0.00 H new ATOM 197 N VAL A 10 -11.886 5.945 6.990 1.00 0.00 N ATOM 198 CA VAL A 10 -11.409 4.552 6.841 1.00 0.00 C ATOM 199 C VAL A 10 -12.088 3.806 5.680 1.00 0.00 C ATOM 200 O VAL A 10 -13.295 3.934 5.469 1.00 0.00 O ATOM 201 CB VAL A 10 -11.555 3.787 8.173 1.00 0.00 C ATOM 202 CG1 VAL A 10 -11.120 2.323 8.063 1.00 0.00 C ATOM 203 CG2 VAL A 10 -10.683 4.429 9.264 1.00 0.00 C ATOM 0 H VAL A 10 -12.464 6.087 7.818 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.351 4.601 6.583 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.614 3.835 8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.244 1.833 9.029 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.733 1.816 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.073 2.276 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.800 3.875 10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.638 4.404 8.956 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.992 5.463 9.415 1.00 0.00 H new ATOM 213 N LEU A 11 -11.303 2.990 4.961 1.00 0.00 N ATOM 214 CA LEU A 11 -11.732 2.165 3.819 1.00 0.00 C ATOM 215 C LEU A 11 -11.440 0.668 4.031 1.00 0.00 C ATOM 216 O LEU A 11 -12.285 -0.171 3.718 1.00 0.00 O ATOM 217 CB LEU A 11 -11.038 2.651 2.531 1.00 0.00 C ATOM 218 CG LEU A 11 -11.336 4.093 2.082 1.00 0.00 C ATOM 219 CD1 LEU A 11 -10.631 4.346 0.748 1.00 0.00 C ATOM 220 CD2 LEU A 11 -12.827 4.362 1.881 1.00 0.00 C ATOM 0 H LEU A 11 -10.310 2.882 5.167 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.812 2.277 3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.961 2.554 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.318 1.978 1.720 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.979 4.754 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.833 5.365 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.557 4.212 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.000 3.642 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.971 5.395 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.218 3.691 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.357 4.192 2.818 1.00 0.00 H new ATOM 232 N CYS A 12 -10.265 0.330 4.576 1.00 0.00 N ATOM 233 CA CYS A 12 -9.874 -1.040 4.927 1.00 0.00 C ATOM 234 C CYS A 12 -8.867 -1.034 6.081 1.00 0.00 C ATOM 235 O CYS A 12 -7.873 -0.309 6.032 1.00 0.00 O ATOM 236 CB CYS A 12 -9.258 -1.728 3.701 1.00 0.00 C ATOM 237 SG CYS A 12 -9.020 -3.502 4.015 1.00 0.00 S ATOM 0 H CYS A 12 -9.543 1.018 4.790 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.761 -1.588 5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.907 -1.590 2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.302 -1.264 3.459 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.500 -4.063 2.964 1.00 0.00 H new ATOM 243 N VAL A 13 -9.097 -1.869 7.092 1.00 0.00 N ATOM 244 CA VAL A 13 -8.159 -2.118 8.199 1.00 0.00 C ATOM 245 C VAL A 13 -7.931 -3.620 8.354 1.00 0.00 C ATOM 246 O VAL A 13 -8.891 -4.381 8.494 1.00 0.00 O ATOM 247 CB VAL A 13 -8.653 -1.480 9.514 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.782 -1.842 10.725 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.651 0.049 9.404 1.00 0.00 C ATOM 0 H VAL A 13 -9.960 -2.407 7.172 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.206 -1.645 7.961 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.658 -1.873 9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.183 -1.362 11.618 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.782 -2.923 10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.762 -1.498 10.555 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.002 0.482 10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.639 0.398 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.311 0.356 8.592 1.00 0.00 H new ATOM 259 N LYS A 14 -6.658 -4.040 8.355 1.00 0.00 N ATOM 260 CA LYS A 14 -6.227 -5.421 8.636 1.00 0.00 C ATOM 261 C LYS A 14 -5.054 -5.459 9.629 1.00 0.00 C ATOM 262 O LYS A 14 -4.175 -4.602 9.548 1.00 0.00 O ATOM 263 CB LYS A 14 -5.888 -6.179 7.340 1.00 0.00 C ATOM 264 CG LYS A 14 -7.118 -6.353 6.436 1.00 0.00 C ATOM 265 CD LYS A 14 -6.783 -7.225 5.223 1.00 0.00 C ATOM 266 CE LYS A 14 -7.956 -7.292 4.239 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.051 -8.176 4.709 1.00 0.00 N ATOM 0 H LYS A 14 -5.878 -3.414 8.155 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.067 -5.932 9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.112 -5.639 6.797 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.480 -7.158 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.930 -6.808 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.470 -5.377 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.905 -6.824 4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.528 -8.231 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.349 -6.288 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.595 -7.649 3.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.838 -8.144 4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.700 -9.152 4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.383 -7.852 5.640 1.00 0.00 H new ATOM 281 N PRO A 15 -4.996 -6.443 10.543 1.00 0.00 N ATOM 282 CA PRO A 15 -3.982 -6.506 11.603 1.00 0.00 C ATOM 283 C PRO A 15 -2.575 -6.912 11.136 1.00 0.00 C ATOM 284 O PRO A 15 -1.618 -6.721 11.886 1.00 0.00 O ATOM 285 CB PRO A 15 -4.508 -7.555 12.586 1.00 0.00 C ATOM 286 CG PRO A 15 -5.335 -8.485 11.698 1.00 0.00 C ATOM 287 CD PRO A 15 -5.966 -7.518 10.707 1.00 0.00 C ATOM 0 HA PRO A 15 -3.851 -5.509 12.025 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.695 -8.088 13.079 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.115 -7.103 13.370 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.714 -9.229 11.200 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.087 -9.029 12.269 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.172 -8.009 9.756 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.916 -7.136 11.081 1.00 0.00 H new ATOM 295 N ASP A 16 -2.445 -7.504 9.945 1.00 0.00 N ATOM 296 CA ASP A 16 -1.213 -8.147 9.476 1.00 0.00 C ATOM 297 C ASP A 16 -0.867 -7.755 8.032 1.00 0.00 C ATOM 298 O ASP A 16 -1.540 -8.149 7.077 1.00 0.00 O ATOM 299 CB ASP A 16 -1.364 -9.668 9.623 1.00 0.00 C ATOM 300 CG ASP A 16 -0.080 -10.413 9.220 1.00 0.00 C ATOM 301 OD1 ASP A 16 -0.137 -11.274 8.310 1.00 0.00 O ATOM 302 OD2 ASP A 16 0.983 -10.153 9.831 1.00 0.00 O ATOM 0 H ASP A 16 -3.206 -7.551 9.268 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.381 -7.800 10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.615 -9.910 10.656 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.193 -10.012 9.004 1.00 0.00 H new ATOM 307 N VAL A 17 0.210 -6.984 7.889 1.00 0.00 N ATOM 308 CA VAL A 17 0.858 -6.620 6.621 1.00 0.00 C ATOM 309 C VAL A 17 2.364 -6.419 6.847 1.00 0.00 C ATOM 310 O VAL A 17 2.790 -5.971 7.918 1.00 0.00 O ATOM 311 CB VAL A 17 0.173 -5.390 5.981 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.451 -4.067 6.704 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.559 -5.219 4.508 1.00 0.00 C ATOM 0 H VAL A 17 0.682 -6.573 8.694 1.00 0.00 H new ATOM 0 HA VAL A 17 0.742 -7.434 5.906 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.891 -5.608 6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.066 -3.256 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.094 -4.132 7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.523 -3.871 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.055 -4.343 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.638 -5.087 4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.259 -6.105 3.948 1.00 0.00 H new ATOM 323 N SER A 18 3.173 -6.764 5.845 1.00 0.00 N ATOM 324 CA SER A 18 4.641 -6.807 5.948 1.00 0.00 C ATOM 325 C SER A 18 5.305 -5.955 4.868 1.00 0.00 C ATOM 326 O SER A 18 4.950 -6.080 3.696 1.00 0.00 O ATOM 327 CB SER A 18 5.129 -8.255 5.837 1.00 0.00 C ATOM 328 OG SER A 18 4.561 -9.064 6.856 1.00 0.00 O ATOM 0 H SER A 18 2.826 -7.026 4.922 1.00 0.00 H new ATOM 0 HA SER A 18 4.920 -6.398 6.919 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.865 -8.657 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.216 -8.282 5.910 1.00 0.00 H new ATOM 0 HG SER A 18 4.886 -9.984 6.763 1.00 0.00 H new ATOM 334 N VAL A 19 6.265 -5.107 5.253 1.00 0.00 N ATOM 335 CA VAL A 19 7.007 -4.181 4.377 1.00 0.00 C ATOM 336 C VAL A 19 8.364 -4.733 3.984 1.00 0.00 C ATOM 337 O VAL A 19 9.119 -5.251 4.806 1.00 0.00 O ATOM 338 CB VAL A 19 7.166 -2.780 5.001 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.072 -1.835 4.193 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.811 -2.083 5.128 1.00 0.00 C ATOM 0 H VAL A 19 6.562 -5.041 6.226 1.00 0.00 H new ATOM 0 HA VAL A 19 6.404 -4.080 3.475 1.00 0.00 H new ATOM 0 HB VAL A 19 7.625 -2.965 5.972 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.133 -0.870 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.070 -2.267 4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.656 -1.697 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.949 -1.097 5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.362 -1.978 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.154 -2.677 5.764 1.00 0.00 H new ATOM 350 N TYR A 20 8.697 -4.502 2.721 1.00 0.00 N ATOM 351 CA TYR A 20 10.008 -4.717 2.138 1.00 0.00 C ATOM 352 C TYR A 20 10.455 -3.435 1.433 1.00 0.00 C ATOM 353 O TYR A 20 9.718 -2.851 0.637 1.00 0.00 O ATOM 354 CB TYR A 20 9.969 -5.914 1.175 1.00 0.00 C ATOM 355 CG TYR A 20 9.019 -7.024 1.586 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.751 -7.124 0.984 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.371 -7.898 2.627 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.834 -8.097 1.420 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.454 -8.866 3.079 1.00 0.00 C ATOM 360 CZ TYR A 20 7.182 -8.969 2.477 1.00 0.00 C ATOM 361 OH TYR A 20 6.307 -9.914 2.913 1.00 0.00 O ATOM 0 H TYR A 20 8.024 -4.142 2.044 1.00 0.00 H new ATOM 0 HA TYR A 20 10.732 -4.953 2.918 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.684 -5.558 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.974 -6.327 1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.481 -6.451 0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.348 -7.828 3.082 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.866 -8.178 0.948 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.724 -9.530 3.887 1.00 0.00 H new ATOM 0 HH TYR A 20 6.714 -10.424 3.644 1.00 0.00 H new ATOM 371 N ARG A 21 11.691 -3.018 1.691 1.00 0.00 N ATOM 372 CA ARG A 21 12.450 -2.174 0.752 1.00 0.00 C ATOM 373 C ARG A 21 12.835 -2.998 -0.488 1.00 0.00 C ATOM 374 O ARG A 21 13.168 -4.179 -0.376 1.00 0.00 O ATOM 375 CB ARG A 21 13.656 -1.523 1.448 1.00 0.00 C ATOM 376 CG ARG A 21 13.189 -0.400 2.392 1.00 0.00 C ATOM 377 CD ARG A 21 14.358 0.313 3.081 1.00 0.00 C ATOM 378 NE ARG A 21 14.952 -0.515 4.148 1.00 0.00 N ATOM 379 CZ ARG A 21 16.203 -0.915 4.279 1.00 0.00 C ATOM 380 NH1 ARG A 21 16.538 -1.671 5.281 1.00 0.00 N ATOM 381 NH2 ARG A 21 17.140 -0.586 3.433 1.00 0.00 N ATOM 0 H ARG A 21 12.197 -3.249 2.546 1.00 0.00 H new ATOM 0 HA ARG A 21 11.824 -1.349 0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.208 -2.275 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.340 -1.119 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.607 0.327 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.526 -0.819 3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.122 0.557 2.342 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.011 1.256 3.503 1.00 0.00 H new ATOM 0 HE ARG A 21 14.311 -0.818 4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.835 -1.954 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.504 -1.982 5.385 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.919 0.004 2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.094 -0.918 3.574 1.00 0.00 H new ATOM 395 N ILE A 22 12.733 -2.380 -1.664 1.00 0.00 N ATOM 396 CA ILE A 22 12.713 -3.053 -2.981 1.00 0.00 C ATOM 397 C ILE A 22 13.781 -2.506 -3.953 1.00 0.00 C ATOM 398 O ILE A 22 14.210 -1.357 -3.798 1.00 0.00 O ATOM 399 CB ILE A 22 11.290 -2.982 -3.597 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.843 -1.538 -3.917 1.00 0.00 C ATOM 401 CG2 ILE A 22 10.279 -3.687 -2.677 1.00 0.00 C ATOM 402 CD1 ILE A 22 9.474 -1.472 -4.600 1.00 0.00 C ATOM 0 H ILE A 22 12.659 -1.365 -1.739 1.00 0.00 H new ATOM 0 HA ILE A 22 12.972 -4.099 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 22 11.326 -3.504 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.810 -0.961 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.587 -1.068 -4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.284 -3.631 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.564 -4.732 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.271 -3.198 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 22 9.216 -0.432 -4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.509 -2.023 -5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.721 -1.914 -3.948 1.00 0.00 H new ATOM 532 N TYR A 31 7.886 -5.385 -10.963 1.00 0.00 N ATOM 533 CA TYR A 31 7.967 -6.114 -9.703 1.00 0.00 C ATOM 534 C TYR A 31 7.370 -7.519 -9.895 1.00 0.00 C ATOM 535 O TYR A 31 6.339 -7.665 -10.548 1.00 0.00 O ATOM 536 CB TYR A 31 7.137 -5.389 -8.644 1.00 0.00 C ATOM 537 CG TYR A 31 7.269 -3.886 -8.616 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.201 -3.076 -9.054 1.00 0.00 C ATOM 539 CD2 TYR A 31 8.453 -3.299 -8.144 1.00 0.00 C ATOM 540 CE1 TYR A 31 6.304 -1.679 -8.964 1.00 0.00 C ATOM 541 CE2 TYR A 31 8.555 -1.900 -8.062 1.00 0.00 C ATOM 542 CZ TYR A 31 7.472 -1.081 -8.450 1.00 0.00 C ATOM 543 OH TYR A 31 7.546 0.268 -8.320 1.00 0.00 O ATOM 0 HA TYR A 31 9.009 -6.179 -9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.087 -5.639 -8.799 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.415 -5.777 -7.664 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.307 -3.529 -9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.284 -3.921 -7.845 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.483 -1.058 -9.291 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.467 -1.448 -7.700 1.00 0.00 H new ATOM 0 HH TYR A 31 6.700 0.671 -8.607 1.00 0.00 H new ATOM 553 N ARG A 32 7.949 -8.551 -9.291 1.00 0.00 N ATOM 554 CA ARG A 32 7.505 -9.959 -9.391 1.00 0.00 C ATOM 555 C ARG A 32 7.390 -10.646 -8.034 1.00 0.00 C ATOM 556 O ARG A 32 7.429 -11.870 -7.962 1.00 0.00 O ATOM 557 CB ARG A 32 8.338 -10.762 -10.413 1.00 0.00 C ATOM 558 CG ARG A 32 9.871 -10.706 -10.273 1.00 0.00 C ATOM 559 CD ARG A 32 10.462 -9.456 -10.940 1.00 0.00 C ATOM 560 NE ARG A 32 11.935 -9.482 -10.964 1.00 0.00 N ATOM 561 CZ ARG A 32 12.725 -8.432 -11.092 1.00 0.00 C ATOM 562 NH1 ARG A 32 14.017 -8.568 -11.006 1.00 0.00 N ATOM 563 NH2 ARG A 32 12.258 -7.233 -11.298 1.00 0.00 N ATOM 0 H ARG A 32 8.769 -8.439 -8.695 1.00 0.00 H new ATOM 0 HA ARG A 32 6.488 -9.934 -9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.031 -11.806 -10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.077 -10.411 -11.411 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.140 -10.715 -9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.309 -11.598 -10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.085 -9.378 -11.960 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.125 -8.568 -10.406 1.00 0.00 H new ATOM 0 HE ARG A 32 12.385 -10.393 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.423 -9.489 -10.839 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.623 -7.754 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.251 -7.082 -11.365 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.899 -6.445 -11.392 1.00 0.00 H new ATOM 577 N ALA A 33 7.226 -9.850 -6.978 1.00 0.00 N ATOM 578 CA ALA A 33 7.270 -10.201 -5.557 1.00 0.00 C ATOM 579 C ALA A 33 8.579 -10.880 -5.083 1.00 0.00 C ATOM 580 O ALA A 33 9.169 -10.461 -4.087 1.00 0.00 O ATOM 581 CB ALA A 33 5.998 -10.995 -5.249 1.00 0.00 C ATOM 0 H ALA A 33 7.043 -8.855 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 33 7.290 -9.285 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.991 -11.277 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.124 -10.381 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.972 -11.893 -5.866 1.00 0.00 H new ATOM 587 N SER A 34 9.080 -11.882 -5.809 1.00 0.00 N ATOM 588 CA SER A 34 10.312 -12.635 -5.530 1.00 0.00 C ATOM 589 C SER A 34 11.598 -11.796 -5.612 1.00 0.00 C ATOM 590 O SER A 34 12.652 -12.230 -5.147 1.00 0.00 O ATOM 591 CB SER A 34 10.426 -13.819 -6.497 1.00 0.00 C ATOM 592 OG SER A 34 9.306 -14.683 -6.365 1.00 0.00 O ATOM 0 H SER A 34 8.614 -12.210 -6.655 1.00 0.00 H new ATOM 0 HA SER A 34 10.226 -12.972 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.491 -13.453 -7.522 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.344 -14.372 -6.297 1.00 0.00 H new ATOM 0 HG SER A 34 9.395 -15.432 -6.991 1.00 0.00 H new ATOM 598 N ASP A 35 11.524 -10.588 -6.178 1.00 0.00 N ATOM 599 CA ASP A 35 12.590 -9.583 -6.176 1.00 0.00 C ATOM 600 C ASP A 35 12.707 -8.809 -4.845 1.00 0.00 C ATOM 601 O ASP A 35 13.629 -8.005 -4.686 1.00 0.00 O ATOM 602 CB ASP A 35 12.420 -8.653 -7.392 1.00 0.00 C ATOM 603 CG ASP A 35 11.084 -7.894 -7.459 1.00 0.00 C ATOM 604 OD1 ASP A 35 10.020 -8.554 -7.439 1.00 0.00 O ATOM 605 OD2 ASP A 35 11.096 -6.651 -7.607 1.00 0.00 O ATOM 0 H ASP A 35 10.688 -10.272 -6.669 1.00 0.00 H new ATOM 0 HA ASP A 35 13.542 -10.106 -6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 35 13.232 -7.926 -7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.527 -9.246 -8.300 1.00 0.00 H new ATOM 610 N TRP A 36 11.806 -9.039 -3.880 1.00 0.00 N ATOM 611 CA TRP A 36 11.781 -8.396 -2.565 1.00 0.00 C ATOM 612 C TRP A 36 12.223 -9.367 -1.456 1.00 0.00 C ATOM 613 O TRP A 36 12.292 -10.585 -1.640 1.00 0.00 O ATOM 614 CB TRP A 36 10.367 -7.860 -2.280 1.00 0.00 C ATOM 615 CG TRP A 36 9.634 -7.116 -3.364 1.00 0.00 C ATOM 616 CD1 TRP A 36 10.153 -6.584 -4.496 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.209 -6.802 -3.412 1.00 0.00 C ATOM 618 NE1 TRP A 36 9.148 -6.049 -5.273 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.944 -6.075 -4.611 1.00 0.00 C ATOM 620 CE3 TRP A 36 7.114 -7.050 -2.558 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.675 -5.578 -4.920 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.836 -6.535 -2.848 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.618 -5.802 -4.026 1.00 0.00 C ATOM 0 H TRP A 36 11.044 -9.706 -4.002 1.00 0.00 H new ATOM 0 HA TRP A 36 12.488 -7.566 -2.574 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.747 -8.707 -1.986 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.434 -7.199 -1.416 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.202 -6.580 -4.753 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.281 -5.682 -6.215 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.258 -7.644 -1.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.510 -5.029 -5.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.020 -6.704 -2.161 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.635 -5.410 -4.244 1.00 0.00 H new ATOM 634 N LYS A 37 12.479 -8.823 -0.262 1.00 0.00 N ATOM 635 CA LYS A 37 12.892 -9.551 0.952 1.00 0.00 C ATOM 636 C LYS A 37 11.732 -10.265 1.666 1.00 0.00 C ATOM 637 O LYS A 37 11.519 -10.080 2.861 1.00 0.00 O ATOM 638 CB LYS A 37 13.666 -8.597 1.875 1.00 0.00 C ATOM 639 CG LYS A 37 15.007 -8.158 1.266 1.00 0.00 C ATOM 640 CD LYS A 37 16.106 -8.074 2.336 1.00 0.00 C ATOM 641 CE LYS A 37 16.745 -9.447 2.574 1.00 0.00 C ATOM 642 NZ LYS A 37 17.801 -9.393 3.619 1.00 0.00 N ATOM 0 H LYS A 37 12.402 -7.818 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 37 13.554 -10.363 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.056 -7.717 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.847 -9.087 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.305 -8.864 0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.890 -7.187 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.870 -7.362 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.684 -7.699 3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.975 -10.159 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.175 -9.814 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.851 -10.309 4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.719 -9.187 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.573 -8.645 4.305 1.00 0.00 H new ATOM 656 N LEU A 38 10.984 -11.095 0.940 1.00 0.00 N ATOM 657 CA LEU A 38 9.721 -11.710 1.390 1.00 0.00 C ATOM 658 C LEU A 38 9.817 -12.510 2.706 1.00 0.00 C ATOM 659 O LEU A 38 8.864 -12.537 3.484 1.00 0.00 O ATOM 660 CB LEU A 38 9.184 -12.627 0.280 1.00 0.00 C ATOM 661 CG LEU A 38 8.808 -11.926 -1.040 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.164 -12.959 -1.967 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.829 -10.769 -0.840 1.00 0.00 C ATOM 0 H LEU A 38 11.242 -11.371 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 38 9.045 -10.880 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.936 -13.387 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.304 -13.147 0.658 1.00 0.00 H new ATOM 0 HG LEU A 38 9.721 -11.509 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.890 -12.482 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.872 -13.765 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.271 -13.366 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.601 -10.314 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.910 -11.144 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.277 -10.023 -0.184 1.00 0.00 H new ATOM 675 N ASP A 39 10.962 -13.144 2.973 1.00 0.00 N ATOM 676 CA ASP A 39 11.213 -13.913 4.208 1.00 0.00 C ATOM 677 C ASP A 39 11.765 -13.043 5.363 1.00 0.00 C ATOM 678 O ASP A 39 11.946 -13.515 6.487 1.00 0.00 O ATOM 679 CB ASP A 39 12.163 -15.069 3.852 1.00 0.00 C ATOM 680 CG ASP A 39 12.329 -16.093 4.990 1.00 0.00 C ATOM 681 OD1 ASP A 39 13.479 -16.316 5.442 1.00 0.00 O ATOM 682 OD2 ASP A 39 11.320 -16.718 5.396 1.00 0.00 O ATOM 0 H ASP A 39 11.756 -13.141 2.332 1.00 0.00 H new ATOM 0 HA ASP A 39 10.268 -14.302 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.787 -15.579 2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.140 -14.661 3.594 1.00 0.00 H new ATOM 687 N GLN A 40 12.075 -11.775 5.074 1.00 0.00 N ATOM 688 CA GLN A 40 12.949 -10.883 5.847 1.00 0.00 C ATOM 689 C GLN A 40 12.382 -9.450 5.893 1.00 0.00 C ATOM 690 O GLN A 40 13.033 -8.518 5.402 1.00 0.00 O ATOM 691 CB GLN A 40 14.337 -10.892 5.177 1.00 0.00 C ATOM 692 CG GLN A 40 15.090 -12.199 5.372 1.00 0.00 C ATOM 693 CD GLN A 40 16.169 -12.393 4.313 1.00 0.00 C ATOM 694 OE1 GLN A 40 17.343 -12.117 4.517 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.803 -12.798 3.112 1.00 0.00 N ATOM 0 H GLN A 40 11.700 -11.315 4.244 1.00 0.00 H new ATOM 0 HA GLN A 40 13.018 -11.233 6.877 1.00 0.00 H new ATOM 0 HB2 GLN A 40 14.219 -10.704 4.110 1.00 0.00 H new ATOM 0 HB3 GLN A 40 14.933 -10.073 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.546 -12.212 6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.388 -13.032 5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.827 -13.031 2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 40 16.496 -12.878 2.368 1.00 0.00 H new ATOM 704 N PRO A 41 11.161 -9.234 6.421 1.00 0.00 N ATOM 705 CA PRO A 41 10.530 -7.933 6.310 1.00 0.00 C ATOM 706 C PRO A 41 11.294 -6.845 7.075 1.00 0.00 C ATOM 707 O PRO A 41 11.774 -7.053 8.192 1.00 0.00 O ATOM 708 CB PRO A 41 9.084 -8.094 6.792 1.00 0.00 C ATOM 709 CG PRO A 41 9.171 -9.317 7.712 1.00 0.00 C ATOM 710 CD PRO A 41 10.262 -10.176 7.067 1.00 0.00 C ATOM 0 HA PRO A 41 10.542 -7.592 5.275 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.734 -7.210 7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.396 -8.259 5.962 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.434 -9.034 8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.221 -9.848 7.764 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.787 -10.771 7.814 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.838 -10.873 6.345 1.00 0.00 H new ATOM 718 N ASP A 42 11.385 -5.666 6.463 1.00 0.00 N ATOM 719 CA ASP A 42 12.045 -4.490 7.035 1.00 0.00 C ATOM 720 C ASP A 42 11.196 -3.844 8.146 1.00 0.00 C ATOM 721 O ASP A 42 11.730 -3.239 9.078 1.00 0.00 O ATOM 722 CB ASP A 42 12.330 -3.505 5.895 1.00 0.00 C ATOM 723 CG ASP A 42 13.291 -2.388 6.319 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.975 -1.198 6.099 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.423 -2.689 6.764 1.00 0.00 O ATOM 0 H ASP A 42 10.994 -5.496 5.536 1.00 0.00 H new ATOM 0 HA ASP A 42 12.981 -4.787 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.755 -4.045 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.393 -3.065 5.555 1.00 0.00 H new ATOM 730 N TRP A 43 9.872 -4.029 8.067 1.00 0.00 N ATOM 731 CA TRP A 43 8.892 -3.696 9.110 1.00 0.00 C ATOM 732 C TRP A 43 7.644 -4.590 8.990 1.00 0.00 C ATOM 733 O TRP A 43 7.306 -5.042 7.895 1.00 0.00 O ATOM 734 CB TRP A 43 8.533 -2.205 8.993 1.00 0.00 C ATOM 735 CG TRP A 43 7.404 -1.722 9.849 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.521 -1.093 11.040 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.971 -1.793 9.573 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.266 -0.756 11.510 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.276 -1.126 10.623 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.193 -2.363 8.543 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.884 -0.963 10.611 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.793 -2.203 8.524 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.138 -1.495 9.548 1.00 0.00 C ATOM 0 H TRP A 43 9.435 -4.432 7.238 1.00 0.00 H new ATOM 0 HA TRP A 43 9.322 -3.881 10.095 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.420 -1.620 9.236 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.287 -1.994 7.952 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.452 -0.886 11.546 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.093 -0.292 12.402 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.676 -2.929 7.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.390 -0.433 11.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.217 -2.628 7.715 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.067 -1.362 9.516 1.00 0.00 H new ATOM 754 N THR A 44 6.928 -4.818 10.095 1.00 0.00 N ATOM 755 CA THR A 44 5.614 -5.494 10.116 1.00 0.00 C ATOM 756 C THR A 44 4.614 -4.778 11.022 1.00 0.00 C ATOM 757 O THR A 44 4.984 -4.210 12.056 1.00 0.00 O ATOM 758 CB THR A 44 5.709 -6.961 10.565 1.00 0.00 C ATOM 759 OG1 THR A 44 6.324 -7.070 11.834 1.00 0.00 O ATOM 760 CG2 THR A 44 6.495 -7.814 9.576 1.00 0.00 C ATOM 0 H THR A 44 7.246 -4.535 11.022 1.00 0.00 H new ATOM 0 HA THR A 44 5.263 -5.461 9.085 1.00 0.00 H new ATOM 0 HB THR A 44 4.684 -7.328 10.615 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.370 -8.013 12.095 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.536 -8.842 9.935 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.004 -7.788 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.508 -7.422 9.482 1.00 0.00 H new ATOM 768 N GLY A 45 3.330 -4.841 10.667 1.00 0.00 N ATOM 769 CA GLY A 45 2.253 -4.252 11.463 1.00 0.00 C ATOM 770 C GLY A 45 0.888 -4.300 10.785 1.00 0.00 C ATOM 771 O GLY A 45 0.558 -5.277 10.116 1.00 0.00 O ATOM 0 H GLY A 45 3.007 -5.303 9.817 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.192 -4.774 12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.503 -3.214 11.683 1.00 0.00 H new ATOM 775 N ARG A 46 0.087 -3.254 10.996 1.00 0.00 N ATOM 776 CA ARG A 46 -1.308 -3.132 10.550 1.00 0.00 C ATOM 777 C ARG A 46 -1.429 -2.327 9.257 1.00 0.00 C ATOM 778 O ARG A 46 -0.732 -1.328 9.063 1.00 0.00 O ATOM 779 CB ARG A 46 -2.178 -2.481 11.640 1.00 0.00 C ATOM 780 CG ARG A 46 -1.947 -3.020 13.062 1.00 0.00 C ATOM 781 CD ARG A 46 -3.034 -2.542 14.040 1.00 0.00 C ATOM 782 NE ARG A 46 -3.139 -1.065 14.122 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.639 -0.361 15.123 1.00 0.00 C ATOM 784 NH1 ARG A 46 -3.789 0.927 15.024 1.00 0.00 N ATOM 785 NH2 ARG A 46 -4.019 -0.915 16.240 1.00 0.00 N ATOM 0 H ARG A 46 0.405 -2.429 11.506 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.664 -4.144 10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.992 -1.407 11.640 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.227 -2.623 11.380 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.933 -4.110 13.039 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.969 -2.696 13.419 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.996 -2.951 13.732 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.821 -2.940 15.032 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.789 -0.537 13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.519 1.407 14.165 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.176 1.457 15.805 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.935 -1.924 16.363 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.400 -0.339 16.991 1.00 0.00 H new ATOM 799 N LEU A 47 -2.389 -2.720 8.427 1.00 0.00 N ATOM 800 CA LEU A 47 -2.923 -1.939 7.315 1.00 0.00 C ATOM 801 C LEU A 47 -4.034 -1.009 7.820 1.00 0.00 C ATOM 802 O LEU A 47 -4.924 -1.464 8.542 1.00 0.00 O ATOM 803 CB LEU A 47 -3.488 -2.923 6.273 1.00 0.00 C ATOM 804 CG LEU A 47 -4.119 -2.251 5.038 1.00 0.00 C ATOM 805 CD1 LEU A 47 -3.067 -1.554 4.174 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.832 -3.309 4.205 1.00 0.00 C ATOM 0 H LEU A 47 -2.837 -3.632 8.514 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.140 -1.326 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.686 -3.583 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.239 -3.550 6.753 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.824 -1.496 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.551 -1.092 3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.563 -0.787 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.336 -2.286 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.281 -2.841 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.114 -4.064 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.611 -3.780 4.804 1.00 0.00 H new ATOM 818 N ARG A 48 -4.043 0.250 7.373 1.00 0.00 N ATOM 819 CA ARG A 48 -5.166 1.188 7.537 1.00 0.00 C ATOM 820 C ARG A 48 -5.281 2.118 6.326 1.00 0.00 C ATOM 821 O ARG A 48 -4.747 3.225 6.293 1.00 0.00 O ATOM 822 CB ARG A 48 -5.033 1.917 8.888 1.00 0.00 C ATOM 823 CG ARG A 48 -6.146 2.954 9.118 1.00 0.00 C ATOM 824 CD ARG A 48 -6.431 3.163 10.609 1.00 0.00 C ATOM 825 NE ARG A 48 -7.291 4.340 10.825 1.00 0.00 N ATOM 826 CZ ARG A 48 -6.890 5.597 10.904 1.00 0.00 C ATOM 827 NH1 ARG A 48 -7.748 6.571 10.911 1.00 0.00 N ATOM 828 NH2 ARG A 48 -5.646 5.965 10.969 1.00 0.00 N ATOM 0 H ARG A 48 -3.252 0.659 6.875 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.111 0.646 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.053 1.184 9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.064 2.414 8.933 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.857 3.903 8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.057 2.627 8.616 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.914 2.276 11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.492 3.291 11.147 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.292 4.168 10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -8.747 6.371 10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.424 7.536 10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.906 5.264 10.961 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.410 6.955 11.028 1.00 0.00 H new ATOM 842 N ILE A 49 -6.008 1.659 5.311 1.00 0.00 N ATOM 843 CA ILE A 49 -6.377 2.479 4.154 1.00 0.00 C ATOM 844 C ILE A 49 -7.419 3.503 4.604 1.00 0.00 C ATOM 845 O ILE A 49 -8.461 3.147 5.160 1.00 0.00 O ATOM 846 CB ILE A 49 -6.895 1.638 2.968 1.00 0.00 C ATOM 847 CG1 ILE A 49 -5.955 0.453 2.666 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.060 2.536 1.727 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.411 -0.391 1.477 1.00 0.00 C ATOM 0 H ILE A 49 -6.361 0.703 5.265 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.485 2.986 3.786 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.866 1.222 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.953 0.834 2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.887 -0.182 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.426 1.939 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.774 3.330 1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.097 2.975 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.706 -1.207 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.401 -0.800 1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.452 0.232 0.583 1.00 0.00 H new ATOM 861 N THR A 50 -7.129 4.772 4.345 1.00 0.00 N ATOM 862 CA THR A 50 -7.976 5.934 4.633 1.00 0.00 C ATOM 863 C THR A 50 -8.141 6.792 3.373 1.00 0.00 C ATOM 864 O THR A 50 -7.423 6.608 2.393 1.00 0.00 O ATOM 865 CB THR A 50 -7.419 6.744 5.824 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.023 6.916 5.771 1.00 0.00 O ATOM 867 CG2 THR A 50 -7.743 6.072 7.152 1.00 0.00 C ATOM 0 H THR A 50 -6.249 5.038 3.904 1.00 0.00 H new ATOM 0 HA THR A 50 -8.966 5.586 4.927 1.00 0.00 H new ATOM 0 HB THR A 50 -7.902 7.718 5.751 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.728 7.436 6.547 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.337 6.667 7.970 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.824 5.991 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.300 5.076 7.174 1.00 0.00 H new ATOM 875 N SER A 51 -9.118 7.695 3.339 1.00 0.00 N ATOM 876 CA SER A 51 -9.396 8.587 2.208 1.00 0.00 C ATOM 877 C SER A 51 -10.292 9.735 2.636 1.00 0.00 C ATOM 878 O SER A 51 -11.091 9.611 3.563 1.00 0.00 O ATOM 879 CB SER A 51 -10.067 7.819 1.069 1.00 0.00 C ATOM 880 OG SER A 51 -10.135 8.627 -0.087 1.00 0.00 O ATOM 0 H SER A 51 -9.760 7.833 4.120 1.00 0.00 H new ATOM 0 HA SER A 51 -8.444 8.988 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.507 6.909 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.070 7.513 1.368 1.00 0.00 H new ATOM 0 HG SER A 51 -10.841 8.293 -0.679 1.00 0.00 H new ATOM 886 N LYS A 52 -10.118 10.885 1.996 1.00 0.00 N ATOM 887 CA LYS A 52 -10.760 12.140 2.349 1.00 0.00 C ATOM 888 C LYS A 52 -11.507 12.713 1.128 1.00 0.00 C ATOM 889 O LYS A 52 -12.309 12.016 0.504 1.00 0.00 O ATOM 890 CB LYS A 52 -9.698 13.057 2.956 1.00 0.00 C ATOM 891 CG LYS A 52 -8.813 12.451 4.051 1.00 0.00 C ATOM 892 CD LYS A 52 -7.748 13.463 4.500 1.00 0.00 C ATOM 893 CE LYS A 52 -6.641 12.734 5.264 1.00 0.00 C ATOM 894 NZ LYS A 52 -5.852 13.664 6.111 1.00 0.00 N ATOM 0 H LYS A 52 -9.502 10.969 1.187 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.534 12.012 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.052 13.409 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.199 13.932 3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.427 12.158 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.331 11.547 3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.330 13.975 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.200 14.226 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.081 11.958 5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.978 12.236 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.112 13.133 6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.411 14.390 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.480 14.121 6.803 1.00 0.00 H new ATOM 908 N GLY A 53 -11.232 13.965 0.760 1.00 0.00 N ATOM 909 CA GLY A 53 -11.779 14.641 -0.423 1.00 0.00 C ATOM 910 C GLY A 53 -11.008 14.293 -1.700 1.00 0.00 C ATOM 911 O GLY A 53 -9.992 14.924 -2.001 1.00 0.00 O ATOM 0 H GLY A 53 -10.600 14.560 1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.826 14.363 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.752 15.719 -0.267 1.00 0.00 H new ATOM 915 N LYS A 54 -11.487 13.282 -2.440 1.00 0.00 N ATOM 916 CA LYS A 54 -10.940 12.791 -3.727 1.00 0.00 C ATOM 917 C LYS A 54 -9.448 12.417 -3.661 1.00 0.00 C ATOM 918 O LYS A 54 -8.726 12.515 -4.652 1.00 0.00 O ATOM 919 CB LYS A 54 -11.262 13.769 -4.879 1.00 0.00 C ATOM 920 CG LYS A 54 -12.761 14.038 -5.071 1.00 0.00 C ATOM 921 CD LYS A 54 -12.983 14.972 -6.269 1.00 0.00 C ATOM 922 CE LYS A 54 -14.479 15.237 -6.468 1.00 0.00 C ATOM 923 NZ LYS A 54 -14.723 16.178 -7.594 1.00 0.00 N ATOM 0 H LYS A 54 -12.309 12.753 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.450 11.852 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.755 14.715 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.854 13.368 -5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.289 13.098 -5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.176 14.487 -4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.459 15.914 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.563 14.525 -7.170 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.993 14.296 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.901 15.648 -5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.746 16.335 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.253 17.084 -7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.342 15.774 -8.473 1.00 0.00 H new ATOM 937 N THR A 55 -8.986 12.006 -2.479 1.00 0.00 N ATOM 938 CA THR A 55 -7.585 11.705 -2.167 1.00 0.00 C ATOM 939 C THR A 55 -7.527 10.594 -1.120 1.00 0.00 C ATOM 940 O THR A 55 -8.014 10.782 -0.003 1.00 0.00 O ATOM 941 CB THR A 55 -6.856 12.948 -1.621 1.00 0.00 C ATOM 942 OG1 THR A 55 -7.051 14.092 -2.431 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.352 12.709 -1.571 1.00 0.00 C ATOM 0 H THR A 55 -9.603 11.867 -1.678 1.00 0.00 H new ATOM 0 HA THR A 55 -7.091 11.389 -3.086 1.00 0.00 H new ATOM 0 HB THR A 55 -7.274 13.120 -0.629 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.975 14.405 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.855 13.598 -1.183 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.140 11.861 -0.920 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.984 12.497 -2.575 1.00 0.00 H new ATOM 951 N ALA A 56 -6.927 9.456 -1.475 1.00 0.00 N ATOM 952 CA ALA A 56 -6.739 8.299 -0.603 1.00 0.00 C ATOM 953 C ALA A 56 -5.350 8.303 0.051 1.00 0.00 C ATOM 954 O ALA A 56 -4.449 9.019 -0.379 1.00 0.00 O ATOM 955 CB ALA A 56 -7.027 7.010 -1.384 1.00 0.00 C ATOM 0 H ALA A 56 -6.546 9.312 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.451 8.354 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.886 6.149 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.055 7.026 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.345 6.938 -2.231 1.00 0.00 H new ATOM 961 N TYR A 57 -5.183 7.503 1.099 1.00 0.00 N ATOM 962 CA TYR A 57 -3.992 7.418 1.937 1.00 0.00 C ATOM 963 C TYR A 57 -3.831 5.979 2.445 1.00 0.00 C ATOM 964 O TYR A 57 -4.567 5.529 3.325 1.00 0.00 O ATOM 965 CB TYR A 57 -4.130 8.394 3.121 1.00 0.00 C ATOM 966 CG TYR A 57 -4.348 9.847 2.742 1.00 0.00 C ATOM 967 CD1 TYR A 57 -5.654 10.353 2.607 1.00 0.00 C ATOM 968 CD2 TYR A 57 -3.244 10.688 2.510 1.00 0.00 C ATOM 969 CE1 TYR A 57 -5.861 11.689 2.221 1.00 0.00 C ATOM 970 CE2 TYR A 57 -3.446 12.036 2.154 1.00 0.00 C ATOM 971 CZ TYR A 57 -4.755 12.541 2.005 1.00 0.00 C ATOM 972 OH TYR A 57 -4.939 13.848 1.676 1.00 0.00 O ATOM 0 H TYR A 57 -5.915 6.861 1.403 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.109 7.689 1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -4.964 8.069 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.231 8.326 3.733 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.501 9.712 2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.241 10.300 2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.865 12.064 2.090 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.597 12.684 1.995 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.068 14.284 1.566 1.00 0.00 H new ATOM 982 N ILE A 58 -2.855 5.233 1.922 1.00 0.00 N ATOM 983 CA ILE A 58 -2.498 3.923 2.484 1.00 0.00 C ATOM 984 C ILE A 58 -1.607 4.195 3.698 1.00 0.00 C ATOM 985 O ILE A 58 -0.407 4.436 3.545 1.00 0.00 O ATOM 986 CB ILE A 58 -1.852 2.985 1.433 1.00 0.00 C ATOM 987 CG1 ILE A 58 -2.798 2.579 0.276 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.372 1.683 2.104 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.078 3.674 -0.757 1.00 0.00 C ATOM 0 H ILE A 58 -2.298 5.510 1.113 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.388 3.377 2.798 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.029 3.562 1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.368 1.719 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.747 2.254 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.920 1.033 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.635 1.919 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.221 1.175 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.750 3.288 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.542 4.529 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.142 3.986 -1.219 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.195 4.217 4.901 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.446 4.330 6.160 1.00 0.00 C ATOM 1003 C LYS A 59 -1.118 2.952 6.743 1.00 0.00 C ATOM 1004 O LYS A 59 -1.947 2.042 6.738 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.170 5.252 7.157 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.365 6.660 6.564 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.725 7.700 7.630 1.00 0.00 C ATOM 1008 CE LYS A 59 -2.723 9.102 7.008 1.00 0.00 C ATOM 1009 NZ LYS A 59 -2.779 10.160 8.047 1.00 0.00 N ATOM 0 H LYS A 59 -3.205 4.157 5.029 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.487 4.802 5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.139 4.825 7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.595 5.319 8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.451 6.967 6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.153 6.628 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.707 7.480 8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.010 7.655 8.451 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.825 9.231 6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.576 9.204 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.776 11.095 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.648 10.051 8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.952 10.077 8.672 1.00 0.00 H new ATOM 1023 N LEU A 60 0.104 2.808 7.245 1.00 0.00 N ATOM 1024 CA LEU A 60 0.624 1.628 7.940 1.00 0.00 C ATOM 1025 C LEU A 60 0.950 1.981 9.396 1.00 0.00 C ATOM 1026 O LEU A 60 1.568 3.012 9.665 1.00 0.00 O ATOM 1027 CB LEU A 60 1.864 1.103 7.197 1.00 0.00 C ATOM 1028 CG LEU A 60 1.589 -0.086 6.264 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.553 0.186 5.173 1.00 0.00 C ATOM 1030 CD2 LEU A 60 2.887 -0.481 5.567 1.00 0.00 C ATOM 0 H LEU A 60 0.799 3.551 7.176 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.129 0.840 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.293 1.916 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.614 0.808 7.931 1.00 0.00 H new ATOM 0 HG LEU A 60 1.189 -0.873 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.424 -0.708 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.399 0.452 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.894 1.008 4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.701 -1.325 4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.260 0.363 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.629 -0.764 6.313 1.00 0.00 H new ATOM 1042 N GLU A 61 0.544 1.130 10.337 1.00 0.00 N ATOM 1043 CA GLU A 61 0.560 1.429 11.779 1.00 0.00 C ATOM 1044 C GLU A 61 1.096 0.254 12.605 1.00 0.00 C ATOM 1045 O GLU A 61 0.901 -0.906 12.245 1.00 0.00 O ATOM 1046 CB GLU A 61 -0.856 1.779 12.259 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.435 3.051 11.613 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.876 3.348 12.071 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.492 2.508 12.772 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -3.409 4.421 11.695 1.00 0.00 O ATOM 0 H GLU A 61 0.189 0.198 10.122 1.00 0.00 H new ATOM 0 HA GLU A 61 1.228 2.278 11.925 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.519 0.941 12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.841 1.907 13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.798 3.901 11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.418 2.943 10.529 1.00 0.00 H new ATOM 1057 N ASP A 62 1.757 0.517 13.732 1.00 0.00 N ATOM 1058 CA ASP A 62 2.249 -0.541 14.609 1.00 0.00 C ATOM 1059 C ASP A 62 1.103 -1.249 15.338 1.00 0.00 C ATOM 1060 O ASP A 62 0.143 -0.644 15.817 1.00 0.00 O ATOM 1061 CB ASP A 62 3.252 0.016 15.614 1.00 0.00 C ATOM 1062 CG ASP A 62 3.870 -1.132 16.413 1.00 0.00 C ATOM 1063 OD1 ASP A 62 3.417 -1.331 17.560 1.00 0.00 O ATOM 1064 OD2 ASP A 62 4.688 -1.901 15.857 1.00 0.00 O ATOM 0 H ASP A 62 1.964 1.461 14.059 1.00 0.00 H new ATOM 0 HA ASP A 62 2.751 -1.278 13.982 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.032 0.572 15.094 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.757 0.716 16.287 1.00 0.00 H new ATOM 1069 N LYS A 63 1.260 -2.561 15.457 1.00 0.00 N ATOM 1070 CA LYS A 63 0.300 -3.516 16.010 1.00 0.00 C ATOM 1071 C LYS A 63 0.325 -3.694 17.533 1.00 0.00 C ATOM 1072 O LYS A 63 -0.473 -4.466 18.067 1.00 0.00 O ATOM 1073 CB LYS A 63 0.399 -4.836 15.213 1.00 0.00 C ATOM 1074 CG LYS A 63 1.691 -5.667 15.373 1.00 0.00 C ATOM 1075 CD LYS A 63 3.013 -4.890 15.208 1.00 0.00 C ATOM 1076 CE LYS A 63 4.248 -5.771 15.054 1.00 0.00 C ATOM 1077 NZ LYS A 63 5.446 -4.941 14.762 1.00 0.00 N ATOM 0 H LYS A 63 2.118 -3.020 15.150 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.693 -3.088 15.876 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.444 -5.466 15.498 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.278 -4.601 14.156 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.684 -6.129 16.360 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.673 -6.476 14.643 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.933 -4.242 14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.150 -4.242 16.074 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.409 -6.344 15.967 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.091 -6.490 14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.305 -5.513 14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.403 -4.602 13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.470 -4.127 15.408 1.00 0.00 H new ATOM 1091 N VAL A 64 1.187 -2.951 18.230 1.00 0.00 N ATOM 1092 CA VAL A 64 1.231 -2.850 19.697 1.00 0.00 C ATOM 1093 C VAL A 64 0.936 -1.420 20.158 1.00 0.00 C ATOM 1094 O VAL A 64 0.122 -1.230 21.066 1.00 0.00 O ATOM 1095 CB VAL A 64 2.596 -3.321 20.239 1.00 0.00 C ATOM 1096 CG1 VAL A 64 2.629 -3.321 21.773 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.941 -4.741 19.766 1.00 0.00 C ATOM 0 H VAL A 64 1.901 -2.381 17.776 1.00 0.00 H new ATOM 0 HA VAL A 64 0.457 -3.504 20.100 1.00 0.00 H new ATOM 0 HB VAL A 64 3.327 -2.613 19.849 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.607 -3.659 22.116 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.444 -2.312 22.141 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.859 -3.992 22.153 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.910 -5.034 20.170 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.177 -5.436 20.115 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.981 -4.762 18.677 1.00 0.00 H new ATOM 1107 N SER A 65 1.549 -0.413 19.527 1.00 0.00 N ATOM 1108 CA SER A 65 1.458 0.990 19.967 1.00 0.00 C ATOM 1109 C SER A 65 0.392 1.803 19.221 1.00 0.00 C ATOM 1110 O SER A 65 -0.036 2.851 19.709 1.00 0.00 O ATOM 1111 CB SER A 65 2.825 1.671 19.828 1.00 0.00 C ATOM 1112 OG SER A 65 3.781 1.049 20.673 1.00 0.00 O ATOM 0 H SER A 65 2.124 -0.544 18.695 1.00 0.00 H new ATOM 0 HA SER A 65 1.150 0.964 21.012 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.159 1.619 18.792 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.739 2.727 20.083 1.00 0.00 H new ATOM 0 HG SER A 65 4.648 1.495 20.570 1.00 0.00 H new ATOM 1118 N GLY A 66 -0.033 1.347 18.038 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.994 2.049 17.172 1.00 0.00 C ATOM 1120 C GLY A 66 -0.399 3.259 16.439 1.00 0.00 C ATOM 1121 O GLY A 66 -1.133 4.053 15.852 1.00 0.00 O ATOM 0 H GLY A 66 0.286 0.462 17.645 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.386 1.347 16.436 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.838 2.381 17.776 1.00 0.00 H new ATOM 1125 N GLU A 67 0.925 3.425 16.497 1.00 0.00 N ATOM 1126 CA GLU A 67 1.651 4.577 15.960 1.00 0.00 C ATOM 1127 C GLU A 67 1.934 4.435 14.457 1.00 0.00 C ATOM 1128 O GLU A 67 2.111 3.326 13.952 1.00 0.00 O ATOM 1129 CB GLU A 67 2.917 4.822 16.799 1.00 0.00 C ATOM 1130 CG GLU A 67 4.054 3.813 16.574 1.00 0.00 C ATOM 1131 CD GLU A 67 5.259 4.141 17.477 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.153 4.911 17.049 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.323 3.630 18.622 1.00 0.00 O ATOM 0 H GLU A 67 1.540 2.738 16.933 1.00 0.00 H new ATOM 0 HA GLU A 67 1.022 5.463 16.042 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.291 5.822 16.580 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.643 4.808 17.854 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.699 2.804 16.785 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.361 3.831 15.528 1.00 0.00 H new ATOM 1140 N LEU A 68 1.987 5.554 13.731 1.00 0.00 N ATOM 1141 CA LEU A 68 2.189 5.570 12.280 1.00 0.00 C ATOM 1142 C LEU A 68 3.631 5.164 11.912 1.00 0.00 C ATOM 1143 O LEU A 68 4.591 5.795 12.361 1.00 0.00 O ATOM 1144 CB LEU A 68 1.835 6.975 11.749 1.00 0.00 C ATOM 1145 CG LEU A 68 1.802 7.091 10.213 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.572 6.404 9.621 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.749 8.561 9.799 1.00 0.00 C ATOM 0 H LEU A 68 1.890 6.484 14.138 1.00 0.00 H new ATOM 0 HA LEU A 68 1.535 4.836 11.810 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.860 7.263 12.143 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.560 7.690 12.139 1.00 0.00 H new ATOM 0 HG LEU A 68 2.705 6.608 9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.584 6.507 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.584 5.346 9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.331 6.867 10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.726 8.632 8.712 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.852 9.023 10.212 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.631 9.078 10.178 1.00 0.00 H new ATOM 1159 N PHE A 69 3.779 4.155 11.050 1.00 0.00 N ATOM 1160 CA PHE A 69 5.047 3.826 10.392 1.00 0.00 C ATOM 1161 C PHE A 69 5.250 4.703 9.148 1.00 0.00 C ATOM 1162 O PHE A 69 6.233 5.443 9.062 1.00 0.00 O ATOM 1163 CB PHE A 69 5.101 2.324 10.052 1.00 0.00 C ATOM 1164 CG PHE A 69 6.150 1.963 9.010 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.517 2.197 9.265 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.756 1.483 7.746 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.471 1.994 8.251 1.00 0.00 C ATOM 1168 CE2 PHE A 69 6.707 1.303 6.726 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.065 1.566 6.974 1.00 0.00 C ATOM 0 H PHE A 69 3.013 3.536 10.786 1.00 0.00 H new ATOM 0 HA PHE A 69 5.868 4.037 11.077 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.302 1.762 10.964 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.122 2.008 9.692 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.833 2.533 10.242 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.718 1.252 7.559 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.518 2.167 8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.393 0.962 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.794 1.440 6.187 1.00 0.00 H new ATOM 1179 N ALA A 70 4.304 4.647 8.204 1.00 0.00 N ATOM 1180 CA ALA A 70 4.336 5.404 6.955 1.00 0.00 C ATOM 1181 C ALA A 70 2.926 5.661 6.399 1.00 0.00 C ATOM 1182 O ALA A 70 1.958 4.994 6.769 1.00 0.00 O ATOM 1183 CB ALA A 70 5.194 4.637 5.940 1.00 0.00 C ATOM 0 H ALA A 70 3.476 4.058 8.293 1.00 0.00 H new ATOM 0 HA ALA A 70 4.773 6.383 7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.228 5.190 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.205 4.523 6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.759 3.653 5.766 1.00 0.00 H new ATOM 1189 N GLN A 71 2.830 6.622 5.479 1.00 0.00 N ATOM 1190 CA GLN A 71 1.604 7.006 4.776 1.00 0.00 C ATOM 1191 C GLN A 71 1.881 7.213 3.281 1.00 0.00 C ATOM 1192 O GLN A 71 2.879 7.835 2.920 1.00 0.00 O ATOM 1193 CB GLN A 71 1.003 8.274 5.416 1.00 0.00 C ATOM 1194 CG GLN A 71 2.014 9.426 5.582 1.00 0.00 C ATOM 1195 CD GLN A 71 1.366 10.797 5.734 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.301 10.968 6.315 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.998 11.823 5.203 1.00 0.00 N ATOM 0 H GLN A 71 3.636 7.177 5.191 1.00 0.00 H new ATOM 0 HA GLN A 71 0.876 6.200 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.170 8.619 4.803 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.595 8.018 6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.635 9.229 6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.677 9.442 4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.885 11.681 4.719 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.601 12.760 5.276 1.00 0.00 H new ATOM 1206 N ALA A 72 0.996 6.734 2.408 1.00 0.00 N ATOM 1207 CA ALA A 72 1.085 6.918 0.957 1.00 0.00 C ATOM 1208 C ALA A 72 -0.179 7.603 0.394 1.00 0.00 C ATOM 1209 O ALA A 72 -1.154 6.916 0.079 1.00 0.00 O ATOM 1210 CB ALA A 72 1.396 5.561 0.317 1.00 0.00 C ATOM 0 H ALA A 72 0.179 6.195 2.694 1.00 0.00 H new ATOM 0 HA ALA A 72 1.898 7.600 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.466 5.676 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.343 5.185 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.600 4.855 0.556 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.179 8.950 0.288 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.185 9.728 -0.438 1.00 0.00 C ATOM 1218 C PRO A 73 -1.326 9.321 -1.911 1.00 0.00 C ATOM 1219 O PRO A 73 -0.328 9.118 -2.606 1.00 0.00 O ATOM 1220 CB PRO A 73 -0.741 11.192 -0.348 1.00 0.00 C ATOM 1221 CG PRO A 73 0.160 11.240 0.880 1.00 0.00 C ATOM 1222 CD PRO A 73 0.762 9.840 0.950 1.00 0.00 C ATOM 0 HA PRO A 73 -2.163 9.552 0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.206 11.501 -1.246 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.595 11.860 -0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.933 12.002 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.406 11.477 1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.734 9.811 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.919 9.537 1.985 1.00 0.00 H new ATOM 1230 N VAL A 74 -2.570 9.278 -2.393 1.00 0.00 N ATOM 1231 CA VAL A 74 -2.970 8.889 -3.755 1.00 0.00 C ATOM 1232 C VAL A 74 -4.077 9.826 -4.254 1.00 0.00 C ATOM 1233 O VAL A 74 -5.124 9.928 -3.617 1.00 0.00 O ATOM 1234 CB VAL A 74 -3.504 7.435 -3.801 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -3.514 6.904 -5.238 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -2.746 6.434 -2.923 1.00 0.00 C ATOM 0 H VAL A 74 -3.373 9.527 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.086 8.959 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.513 7.510 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.893 5.882 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.156 7.533 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.500 6.918 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.196 5.447 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.703 6.391 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.799 6.751 -1.881 1.00 0.00 H new ATOM 1246 N GLU A 75 -3.899 10.494 -5.397 1.00 0.00 N ATOM 1247 CA GLU A 75 -4.906 11.449 -5.919 1.00 0.00 C ATOM 1248 C GLU A 75 -5.969 10.788 -6.818 1.00 0.00 C ATOM 1249 O GLU A 75 -7.063 11.326 -6.992 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.202 12.594 -6.665 1.00 0.00 C ATOM 1251 CG GLU A 75 -3.341 13.456 -5.733 1.00 0.00 C ATOM 1252 CD GLU A 75 -2.725 14.645 -6.497 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -3.350 15.734 -6.543 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -1.609 14.503 -7.054 1.00 0.00 O ATOM 0 H GLU A 75 -3.071 10.398 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.444 11.844 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.575 12.179 -7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.949 13.222 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.949 13.825 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.548 12.848 -5.298 1.00 0.00 H new ATOM 1261 N GLN A 76 -5.661 9.616 -7.381 1.00 0.00 N ATOM 1262 CA GLN A 76 -6.584 8.733 -8.103 1.00 0.00 C ATOM 1263 C GLN A 76 -6.014 7.307 -8.169 1.00 0.00 C ATOM 1264 O GLN A 76 -4.800 7.141 -8.315 1.00 0.00 O ATOM 1265 CB GLN A 76 -6.905 9.275 -9.514 1.00 0.00 C ATOM 1266 CG GLN A 76 -5.799 9.198 -10.586 1.00 0.00 C ATOM 1267 CD GLN A 76 -4.544 10.011 -10.269 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.415 11.177 -10.618 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -3.567 9.428 -9.604 1.00 0.00 N ATOM 0 H GLN A 76 -4.714 9.238 -7.344 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.524 8.704 -7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.773 8.734 -9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.199 10.319 -9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.515 8.154 -10.721 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.208 9.542 -11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.661 8.457 -9.307 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.717 9.948 -9.386 1.00 0.00 H new ATOM 1278 N TYR A 77 -6.875 6.291 -8.104 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.508 4.882 -8.258 1.00 0.00 C ATOM 1280 C TYR A 77 -7.223 4.260 -9.480 1.00 0.00 C ATOM 1281 O TYR A 77 -8.448 4.394 -9.578 1.00 0.00 O ATOM 1282 CB TYR A 77 -6.822 4.120 -6.963 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.372 2.675 -7.002 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.320 1.641 -7.111 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -4.997 2.374 -6.989 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -6.896 0.303 -7.224 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -4.570 1.042 -7.138 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.515 0.002 -7.256 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.088 -1.277 -7.426 1.00 0.00 O ATOM 0 H TYR A 77 -7.872 6.428 -7.939 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.436 4.808 -8.443 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.338 4.623 -6.126 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.896 4.155 -6.779 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.375 1.874 -7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.271 3.164 -6.865 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.624 -0.492 -7.286 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.514 0.815 -7.162 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.108 -1.298 -7.424 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.511 3.582 -10.405 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.053 3.419 -10.458 1.00 0.00 C ATOM 1301 C PRO A 78 -4.306 4.741 -10.725 1.00 0.00 C ATOM 1302 O PRO A 78 -4.808 5.633 -11.412 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.798 2.389 -11.565 1.00 0.00 C ATOM 1304 CG PRO A 78 -5.978 2.595 -12.512 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.122 2.926 -11.555 1.00 0.00 C ATOM 0 HA PRO A 78 -4.669 3.086 -9.494 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.845 2.563 -12.065 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.770 1.373 -11.171 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.794 3.404 -13.218 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.187 1.701 -13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.853 3.578 -12.033 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.651 2.022 -11.252 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.097 4.857 -10.171 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.218 6.030 -10.277 1.00 0.00 C ATOM 1315 C GLY A 79 -0.760 5.724 -9.907 1.00 0.00 C ATOM 1316 O GLY A 79 -0.359 4.561 -9.849 1.00 0.00 O ATOM 0 H GLY A 79 -2.685 4.109 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.255 6.414 -11.297 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.594 6.819 -9.626 1.00 0.00 H new ATOM 1320 N ILE A 80 0.043 6.761 -9.640 1.00 0.00 N ATOM 1321 CA ILE A 80 1.489 6.609 -9.367 1.00 0.00 C ATOM 1322 C ILE A 80 1.783 5.932 -8.016 1.00 0.00 C ATOM 1323 O ILE A 80 2.717 5.141 -7.906 1.00 0.00 O ATOM 1324 CB ILE A 80 2.228 7.966 -9.501 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.744 7.769 -9.268 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.667 9.052 -8.559 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.635 8.966 -9.615 1.00 0.00 C ATOM 0 H ILE A 80 -0.283 7.727 -9.606 1.00 0.00 H new ATOM 0 HA ILE A 80 1.878 5.934 -10.129 1.00 0.00 H new ATOM 0 HB ILE A 80 2.060 8.324 -10.517 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.901 7.516 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.074 6.912 -9.856 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.224 9.978 -8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.615 9.224 -8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.765 8.722 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.676 8.715 -9.412 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.520 9.212 -10.671 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.344 9.824 -9.009 1.00 0.00 H new ATOM 1339 N ALA A 81 0.992 6.225 -6.983 1.00 0.00 N ATOM 1340 CA ALA A 81 1.320 5.899 -5.593 1.00 0.00 C ATOM 1341 C ALA A 81 0.900 4.492 -5.148 1.00 0.00 C ATOM 1342 O ALA A 81 1.042 4.173 -3.968 1.00 0.00 O ATOM 1343 CB ALA A 81 0.776 7.021 -4.703 1.00 0.00 C ATOM 0 H ALA A 81 0.096 6.700 -7.088 1.00 0.00 H new ATOM 0 HA ALA A 81 2.404 5.851 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.007 6.803 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.238 7.967 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.304 7.093 -4.828 1.00 0.00 H new ATOM 1349 N VAL A 82 0.422 3.654 -6.072 1.00 0.00 N ATOM 1350 CA VAL A 82 0.004 2.265 -5.830 1.00 0.00 C ATOM 1351 C VAL A 82 0.220 1.433 -7.102 1.00 0.00 C ATOM 1352 O VAL A 82 -0.292 1.773 -8.169 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.479 2.179 -5.413 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -1.842 0.745 -4.997 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -1.899 3.101 -4.263 1.00 0.00 C ATOM 0 H VAL A 82 0.310 3.932 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 82 0.610 1.873 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.014 2.507 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.892 0.705 -4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.671 0.069 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.221 0.442 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.959 2.960 -4.052 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.317 2.861 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.720 4.139 -4.545 1.00 0.00 H new ATOM 1365 N GLU A 83 0.962 0.333 -6.992 1.00 0.00 N ATOM 1366 CA GLU A 83 1.357 -0.562 -8.094 1.00 0.00 C ATOM 1367 C GLU A 83 1.275 -2.045 -7.695 1.00 0.00 C ATOM 1368 O GLU A 83 1.301 -2.389 -6.514 1.00 0.00 O ATOM 1369 CB GLU A 83 2.788 -0.230 -8.555 1.00 0.00 C ATOM 1370 CG GLU A 83 2.852 1.065 -9.370 1.00 0.00 C ATOM 1371 CD GLU A 83 4.281 1.399 -9.844 1.00 0.00 C ATOM 1372 OE1 GLU A 83 5.215 1.442 -9.009 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.482 1.598 -11.065 1.00 0.00 O ATOM 0 H GLU A 83 1.325 0.021 -6.091 1.00 0.00 H new ATOM 0 HA GLU A 83 0.655 -0.399 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.436 -0.140 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.174 -1.054 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.197 0.977 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.472 1.889 -8.766 1.00 0.00 H new ATOM 1380 N THR A 84 1.201 -2.935 -8.685 1.00 0.00 N ATOM 1381 CA THR A 84 1.038 -4.394 -8.532 1.00 0.00 C ATOM 1382 C THR A 84 2.272 -5.158 -9.027 1.00 0.00 C ATOM 1383 O THR A 84 3.034 -4.671 -9.868 1.00 0.00 O ATOM 1384 CB THR A 84 -0.207 -4.874 -9.302 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.134 -4.501 -10.664 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.489 -4.257 -8.741 1.00 0.00 C ATOM 0 H THR A 84 1.255 -2.652 -9.664 1.00 0.00 H new ATOM 0 HA THR A 84 0.915 -4.599 -7.469 1.00 0.00 H new ATOM 0 HB THR A 84 -0.231 -5.958 -9.195 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.934 -4.818 -11.133 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.346 -4.619 -9.309 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.602 -4.541 -7.695 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.434 -3.171 -8.819 1.00 0.00 H new ATOM 1394 N VAL A 85 2.471 -6.376 -8.517 1.00 0.00 N ATOM 1395 CA VAL A 85 3.478 -7.328 -9.020 1.00 0.00 C ATOM 1396 C VAL A 85 2.921 -8.157 -10.191 1.00 0.00 C ATOM 1397 O VAL A 85 1.717 -8.139 -10.465 1.00 0.00 O ATOM 1398 CB VAL A 85 3.980 -8.252 -7.900 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.500 -7.466 -6.693 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.890 -9.204 -7.428 1.00 0.00 C ATOM 0 H VAL A 85 1.932 -6.739 -7.731 1.00 0.00 H new ATOM 0 HA VAL A 85 4.324 -6.746 -9.385 1.00 0.00 H new ATOM 0 HB VAL A 85 4.802 -8.824 -8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.844 -8.161 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.328 -6.829 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.698 -6.848 -6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.282 -9.842 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.045 -8.630 -7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.561 -9.823 -8.263 1.00 0.00 H new ATOM 1410 N THR A 86 3.773 -8.943 -10.848 1.00 0.00 N ATOM 1411 CA THR A 86 3.395 -9.824 -11.973 1.00 0.00 C ATOM 1412 C THR A 86 3.130 -11.275 -11.564 1.00 0.00 C ATOM 1413 O THR A 86 2.352 -11.966 -12.224 1.00 0.00 O ATOM 1414 CB THR A 86 4.484 -9.817 -13.053 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.687 -10.345 -12.540 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.778 -8.399 -13.529 1.00 0.00 C ATOM 0 H THR A 86 4.765 -8.993 -10.616 1.00 0.00 H new ATOM 0 HA THR A 86 2.460 -9.414 -12.355 1.00 0.00 H new ATOM 0 HB THR A 86 4.116 -10.422 -13.882 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.373 -10.336 -13.240 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.554 -8.426 -14.294 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.872 -7.960 -13.946 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.119 -7.796 -12.687 1.00 0.00 H new ATOM 1424 N ASP A 87 3.768 -11.752 -10.490 1.00 0.00 N ATOM 1425 CA ASP A 87 3.800 -13.181 -10.147 1.00 0.00 C ATOM 1426 C ASP A 87 2.621 -13.619 -9.266 1.00 0.00 C ATOM 1427 O ASP A 87 2.019 -14.666 -9.517 1.00 0.00 O ATOM 1428 CB ASP A 87 5.132 -13.510 -9.467 1.00 0.00 C ATOM 1429 CG ASP A 87 5.289 -15.023 -9.239 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.645 -15.745 -10.202 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.054 -15.497 -8.101 1.00 0.00 O ATOM 0 H ASP A 87 4.277 -11.160 -9.833 1.00 0.00 H new ATOM 0 HA ASP A 87 3.705 -13.741 -11.077 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.955 -13.146 -10.082 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.193 -12.989 -8.512 1.00 0.00 H new ATOM 1436 N SER A 88 2.281 -12.814 -8.251 1.00 0.00 N ATOM 1437 CA SER A 88 1.184 -13.137 -7.312 1.00 0.00 C ATOM 1438 C SER A 88 0.422 -11.909 -6.810 1.00 0.00 C ATOM 1439 O SER A 88 1.011 -10.997 -6.240 1.00 0.00 O ATOM 1440 CB SER A 88 1.729 -13.942 -6.128 1.00 0.00 C ATOM 1441 OG SER A 88 0.668 -14.293 -5.252 1.00 0.00 O ATOM 0 H SER A 88 2.749 -11.929 -8.054 1.00 0.00 H new ATOM 0 HA SER A 88 0.464 -13.733 -7.873 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.228 -14.842 -6.488 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.476 -13.356 -5.592 1.00 0.00 H new ATOM 0 HG SER A 88 1.023 -14.809 -4.498 1.00 0.00 H new ATOM 1447 N SER A 89 -0.906 -11.878 -6.957 1.00 0.00 N ATOM 1448 CA SER A 89 -1.719 -10.676 -6.690 1.00 0.00 C ATOM 1449 C SER A 89 -1.822 -10.265 -5.207 1.00 0.00 C ATOM 1450 O SER A 89 -2.503 -9.285 -4.903 1.00 0.00 O ATOM 1451 CB SER A 89 -3.129 -10.801 -7.288 1.00 0.00 C ATOM 1452 OG SER A 89 -3.159 -11.601 -8.465 1.00 0.00 O ATOM 0 H SER A 89 -1.452 -12.683 -7.264 1.00 0.00 H new ATOM 0 HA SER A 89 -1.169 -9.877 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.798 -11.233 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.510 -9.806 -7.520 1.00 0.00 H new ATOM 0 HG SER A 89 -3.337 -11.032 -9.243 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.161 -10.974 -4.274 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.131 -10.648 -2.836 1.00 0.00 C ATOM 1460 C ARG A 90 -0.034 -9.650 -2.423 1.00 0.00 C ATOM 1461 O ARG A 90 0.280 -9.540 -1.237 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.250 -11.920 -1.971 1.00 0.00 C ATOM 1463 CG ARG A 90 0.057 -12.707 -1.821 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.090 -13.923 -0.896 1.00 0.00 C ATOM 1465 NE ARG A 90 1.231 -14.524 -0.632 1.00 0.00 N ATOM 1466 CZ ARG A 90 1.507 -15.633 0.028 1.00 0.00 C ATOM 1467 NH1 ARG A 90 2.735 -16.062 0.060 1.00 0.00 N ATOM 1468 NH2 ARG A 90 0.608 -16.331 0.661 1.00 0.00 N ATOM 0 H ARG A 90 -0.621 -11.808 -4.504 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.029 -10.068 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.607 -11.639 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.005 -12.573 -2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.391 -13.041 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.831 -12.048 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.555 -13.621 0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.748 -14.661 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 90 2.033 -14.018 -1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.469 -15.543 -0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.963 -16.918 0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.366 -16.027 0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.878 -17.181 1.155 1.00 0.00 H new ATOM 1482 N TYR A 91 0.549 -8.923 -3.381 1.00 0.00 N ATOM 1483 CA TYR A 91 1.697 -8.040 -3.182 1.00 0.00 C ATOM 1484 C TYR A 91 1.536 -6.733 -3.980 1.00 0.00 C ATOM 1485 O TYR A 91 1.137 -6.759 -5.149 1.00 0.00 O ATOM 1486 CB TYR A 91 2.970 -8.784 -3.609 1.00 0.00 C ATOM 1487 CG TYR A 91 3.287 -10.059 -2.847 1.00 0.00 C ATOM 1488 CD1 TYR A 91 3.946 -9.986 -1.606 1.00 0.00 C ATOM 1489 CD2 TYR A 91 2.947 -11.317 -3.385 1.00 0.00 C ATOM 1490 CE1 TYR A 91 4.237 -11.163 -0.888 1.00 0.00 C ATOM 1491 CE2 TYR A 91 3.274 -12.497 -2.691 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.909 -12.422 -1.434 1.00 0.00 C ATOM 1493 OH TYR A 91 4.177 -13.567 -0.748 1.00 0.00 O ATOM 0 H TYR A 91 0.222 -8.935 -4.347 1.00 0.00 H new ATOM 0 HA TYR A 91 1.765 -7.769 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.885 -9.029 -4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.816 -8.104 -3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.230 -9.025 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.434 -11.375 -4.333 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.711 -11.101 0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.039 -13.459 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 91 4.136 -13.389 0.215 1.00 0.00 H new ATOM 1503 N PHE A 92 1.878 -5.595 -3.367 1.00 0.00 N ATOM 1504 CA PHE A 92 1.762 -4.252 -3.956 1.00 0.00 C ATOM 1505 C PHE A 92 2.975 -3.385 -3.621 1.00 0.00 C ATOM 1506 O PHE A 92 3.603 -3.582 -2.586 1.00 0.00 O ATOM 1507 CB PHE A 92 0.505 -3.543 -3.427 1.00 0.00 C ATOM 1508 CG PHE A 92 -0.784 -4.296 -3.661 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.328 -5.083 -2.634 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.425 -4.227 -4.909 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -2.513 -5.802 -2.850 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.599 -4.967 -5.135 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.142 -5.755 -4.107 1.00 0.00 C ATOM 0 H PHE A 92 2.255 -5.580 -2.419 1.00 0.00 H new ATOM 0 HA PHE A 92 1.701 -4.382 -5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.622 -3.373 -2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.430 -2.563 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.833 -5.135 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.017 -3.607 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.942 -6.391 -2.052 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.083 -4.929 -6.100 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.043 -6.325 -4.282 1.00 0.00 H new ATOM 1523 N VAL A 93 3.275 -2.384 -4.445 1.00 0.00 N ATOM 1524 CA VAL A 93 4.181 -1.279 -4.086 1.00 0.00 C ATOM 1525 C VAL A 93 3.366 -0.012 -3.853 1.00 0.00 C ATOM 1526 O VAL A 93 2.415 0.232 -4.594 1.00 0.00 O ATOM 1527 CB VAL A 93 5.266 -1.066 -5.154 1.00 0.00 C ATOM 1528 CG1 VAL A 93 6.250 0.052 -4.800 1.00 0.00 C ATOM 1529 CG2 VAL A 93 6.060 -2.357 -5.342 1.00 0.00 C ATOM 0 H VAL A 93 2.897 -2.310 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 93 4.702 -1.537 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 93 4.746 -0.777 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.990 0.151 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.709 0.992 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.753 -0.189 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.829 -2.204 -6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.530 -2.636 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.389 -3.154 -5.662 1.00 0.00 H new ATOM 1539 N ILE A 94 3.727 0.814 -2.865 1.00 0.00 N ATOM 1540 CA ILE A 94 3.116 2.134 -2.673 1.00 0.00 C ATOM 1541 C ILE A 94 4.161 3.241 -2.508 1.00 0.00 C ATOM 1542 O ILE A 94 5.233 3.019 -1.940 1.00 0.00 O ATOM 1543 CB ILE A 94 2.050 2.171 -1.552 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.569 1.938 -0.112 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.856 1.256 -1.866 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.825 0.480 0.303 1.00 0.00 C ATOM 0 H ILE A 94 4.447 0.588 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 94 2.575 2.336 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 94 1.717 3.209 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.499 2.494 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.848 2.368 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.131 1.312 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.385 1.578 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 94 1.203 0.228 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.185 0.452 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.898 -0.088 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.574 0.040 -0.356 1.00 0.00 H new ATOM 1558 N ARG A 95 3.834 4.446 -2.996 1.00 0.00 N ATOM 1559 CA ARG A 95 4.679 5.647 -2.857 1.00 0.00 C ATOM 1560 C ARG A 95 4.363 6.361 -1.545 1.00 0.00 C ATOM 1561 O ARG A 95 3.502 7.240 -1.499 1.00 0.00 O ATOM 1562 CB ARG A 95 4.521 6.574 -4.076 1.00 0.00 C ATOM 1563 CG ARG A 95 5.535 7.725 -4.071 1.00 0.00 C ATOM 1564 CD ARG A 95 5.250 8.714 -5.209 1.00 0.00 C ATOM 1565 NE ARG A 95 6.179 9.857 -5.146 1.00 0.00 N ATOM 1566 CZ ARG A 95 6.028 11.060 -5.666 1.00 0.00 C ATOM 1567 NH1 ARG A 95 6.937 11.961 -5.435 1.00 0.00 N ATOM 1568 NH2 ARG A 95 5.003 11.391 -6.397 1.00 0.00 N ATOM 0 H ARG A 95 2.967 4.619 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 95 5.726 5.344 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.641 5.992 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.511 6.983 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.495 8.245 -3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.544 7.326 -4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.350 8.210 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.222 9.069 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 95 7.048 9.698 -4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.748 11.732 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.839 12.897 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.272 10.707 -6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.931 12.335 -6.777 1.00 0.00 H new ATOM 1582 N ILE A 96 5.060 5.999 -0.475 1.00 0.00 N ATOM 1583 CA ILE A 96 4.946 6.714 0.800 1.00 0.00 C ATOM 1584 C ILE A 96 5.538 8.127 0.697 1.00 0.00 C ATOM 1585 O ILE A 96 6.516 8.337 -0.021 1.00 0.00 O ATOM 1586 CB ILE A 96 5.511 5.915 1.986 1.00 0.00 C ATOM 1587 CG1 ILE A 96 7.012 5.584 1.832 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.695 4.635 2.226 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.733 5.513 3.176 1.00 0.00 C ATOM 0 H ILE A 96 5.712 5.215 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 96 3.883 6.825 1.012 1.00 0.00 H new ATOM 0 HB ILE A 96 5.421 6.560 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.120 4.631 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.486 6.341 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.115 4.088 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.660 4.899 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.730 4.009 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.785 5.278 3.013 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.651 6.474 3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.279 4.737 3.792 1.00 0.00 H new ATOM 1601 N GLN A 97 4.936 9.104 1.381 1.00 0.00 N ATOM 1602 CA GLN A 97 5.318 10.523 1.326 1.00 0.00 C ATOM 1603 C GLN A 97 5.343 11.155 2.721 1.00 0.00 C ATOM 1604 O GLN A 97 4.432 10.982 3.534 1.00 0.00 O ATOM 1605 CB GLN A 97 4.366 11.323 0.419 1.00 0.00 C ATOM 1606 CG GLN A 97 4.479 10.978 -1.076 1.00 0.00 C ATOM 1607 CD GLN A 97 3.126 11.002 -1.781 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.574 12.044 -2.104 1.00 0.00 O ATOM 1609 NE2 GLN A 97 2.539 9.850 -2.018 1.00 0.00 N ATOM 0 H GLN A 97 4.149 8.928 2.005 1.00 0.00 H new ATOM 0 HA GLN A 97 6.324 10.561 0.907 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.340 11.148 0.744 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.565 12.387 0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 97 5.151 11.687 -1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.926 9.990 -1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.997 8.979 -1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.625 9.827 -2.470 1.00 0.00 H new ATOM 1682 N SER A 103 9.543 11.452 -0.990 1.00 0.00 N ATOM 1683 CA SER A 103 8.867 10.149 -1.061 1.00 0.00 C ATOM 1684 C SER A 103 9.808 8.945 -1.204 1.00 0.00 C ATOM 1685 O SER A 103 10.979 9.093 -1.561 1.00 0.00 O ATOM 1686 CB SER A 103 7.887 10.172 -2.241 1.00 0.00 C ATOM 1687 OG SER A 103 8.524 10.470 -3.478 1.00 0.00 O ATOM 0 HA SER A 103 8.358 10.012 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.392 9.204 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.111 10.913 -2.049 1.00 0.00 H new ATOM 0 HG SER A 103 9.282 11.070 -3.319 1.00 0.00 H new ATOM 1693 N ALA A 104 9.265 7.743 -0.982 1.00 0.00 N ATOM 1694 CA ALA A 104 9.900 6.457 -1.289 1.00 0.00 C ATOM 1695 C ALA A 104 8.867 5.424 -1.774 1.00 0.00 C ATOM 1696 O ALA A 104 7.728 5.407 -1.308 1.00 0.00 O ATOM 1697 CB ALA A 104 10.651 5.958 -0.047 1.00 0.00 C ATOM 0 H ALA A 104 8.339 7.635 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 104 10.611 6.595 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.126 5.002 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.413 6.685 0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.948 5.832 0.777 1.00 0.00 H new ATOM 1703 N PHE A 105 9.267 4.536 -2.687 1.00 0.00 N ATOM 1704 CA PHE A 105 8.460 3.390 -3.115 1.00 0.00 C ATOM 1705 C PHE A 105 8.814 2.160 -2.262 1.00 0.00 C ATOM 1706 O PHE A 105 9.956 1.695 -2.285 1.00 0.00 O ATOM 1707 CB PHE A 105 8.657 3.140 -4.619 1.00 0.00 C ATOM 1708 CG PHE A 105 7.881 4.084 -5.526 1.00 0.00 C ATOM 1709 CD1 PHE A 105 6.657 3.669 -6.086 1.00 0.00 C ATOM 1710 CD2 PHE A 105 8.381 5.364 -5.841 1.00 0.00 C ATOM 1711 CE1 PHE A 105 5.942 4.510 -6.953 1.00 0.00 C ATOM 1712 CE2 PHE A 105 7.669 6.208 -6.714 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.454 5.777 -7.276 1.00 0.00 C ATOM 0 H PHE A 105 10.171 4.593 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 105 7.401 3.600 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.718 3.225 -4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.362 2.115 -4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.264 2.692 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.314 5.698 -5.411 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.001 4.184 -7.370 1.00 0.00 H new ATOM 0 HE2 PHE A 105 8.056 7.188 -6.952 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.915 6.420 -7.956 1.00 0.00 H new ATOM 1723 N ILE A 106 7.840 1.641 -1.505 1.00 0.00 N ATOM 1724 CA ILE A 106 7.988 0.462 -0.627 1.00 0.00 C ATOM 1725 C ILE A 106 7.052 -0.670 -1.050 1.00 0.00 C ATOM 1726 O ILE A 106 5.936 -0.413 -1.498 1.00 0.00 O ATOM 1727 CB ILE A 106 7.811 0.810 0.871 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.369 1.221 1.251 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.825 1.896 1.259 1.00 0.00 C ATOM 1730 CD1 ILE A 106 6.145 1.409 2.758 1.00 0.00 C ATOM 0 H ILE A 106 6.900 2.036 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 106 9.013 0.112 -0.747 1.00 0.00 H new ATOM 0 HB ILE A 106 8.002 -0.099 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.121 2.151 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.678 0.462 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.705 2.146 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.836 1.528 1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.654 2.786 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 106 5.109 1.696 2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.358 0.474 3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.808 2.190 3.130 1.00 0.00 H new ATOM 1742 N GLY A 107 7.492 -1.917 -0.895 1.00 0.00 N ATOM 1743 CA GLY A 107 6.689 -3.106 -1.178 1.00 0.00 C ATOM 1744 C GLY A 107 5.935 -3.561 0.069 1.00 0.00 C ATOM 1745 O GLY A 107 6.489 -3.512 1.166 1.00 0.00 O ATOM 0 H GLY A 107 8.432 -2.134 -0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.981 -2.890 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.334 -3.910 -1.532 1.00 0.00 H new ATOM 1749 N ILE A 108 4.695 -4.023 -0.091 1.00 0.00 N ATOM 1750 CA ILE A 108 3.888 -4.667 0.950 1.00 0.00 C ATOM 1751 C ILE A 108 3.332 -6.014 0.481 1.00 0.00 C ATOM 1752 O ILE A 108 2.909 -6.161 -0.667 1.00 0.00 O ATOM 1753 CB ILE A 108 2.770 -3.761 1.517 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.758 -3.257 0.464 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.403 -2.604 2.300 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.510 -2.598 1.076 1.00 0.00 C ATOM 0 H ILE A 108 4.205 -3.957 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 108 4.571 -4.852 1.779 1.00 0.00 H new ATOM 0 HB ILE A 108 2.171 -4.378 2.187 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.254 -2.540 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.447 -4.095 -0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.618 -1.963 2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.000 -3.003 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.042 -2.022 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.156 -2.269 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.009 -3.319 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.810 -1.739 1.677 1.00 0.00 H new ATOM 1768 N GLY A 109 3.324 -6.997 1.383 1.00 0.00 N ATOM 1769 CA GLY A 109 2.781 -8.339 1.154 1.00 0.00 C ATOM 1770 C GLY A 109 1.680 -8.723 2.142 1.00 0.00 C ATOM 1771 O GLY A 109 1.740 -8.380 3.327 1.00 0.00 O ATOM 0 H GLY A 109 3.706 -6.879 2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.385 -8.395 0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.590 -9.067 1.221 1.00 0.00 H new ATOM 1775 N PHE A 110 0.688 -9.458 1.636 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.456 -9.987 2.383 1.00 0.00 C ATOM 1777 C PHE A 110 -0.313 -11.501 2.614 1.00 0.00 C ATOM 1778 O PHE A 110 0.464 -12.182 1.940 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.754 -9.656 1.623 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.153 -8.191 1.653 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -1.409 -7.227 0.944 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -3.279 -7.788 2.397 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -1.759 -5.869 1.019 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -3.651 -6.434 2.439 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.883 -5.475 1.759 1.00 0.00 C ATOM 0 H PHE A 110 0.658 -9.713 0.649 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.492 -9.517 3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.639 -9.966 0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.566 -10.248 2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -0.567 -7.533 0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.858 -8.522 2.937 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -1.163 -5.128 0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.527 -6.131 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.159 -4.432 1.806 1.00 0.00 H new ATOM 1795 N THR A 111 -1.095 -12.044 3.550 1.00 0.00 N ATOM 1796 CA THR A 111 -1.122 -13.489 3.842 1.00 0.00 C ATOM 1797 C THR A 111 -1.855 -14.292 2.757 1.00 0.00 C ATOM 1798 O THR A 111 -1.491 -15.432 2.463 1.00 0.00 O ATOM 1799 CB THR A 111 -1.712 -13.738 5.243 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.518 -15.081 5.628 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.206 -13.421 5.371 1.00 0.00 C ATOM 0 H THR A 111 -1.731 -11.497 4.131 1.00 0.00 H new ATOM 0 HA THR A 111 -0.094 -13.850 3.836 1.00 0.00 H new ATOM 0 HB THR A 111 -1.176 -13.049 5.896 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.897 -15.223 6.521 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.535 -13.626 6.390 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.376 -12.370 5.139 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.771 -14.042 4.676 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.851 -13.691 2.098 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.717 -14.363 1.127 1.00 0.00 C ATOM 1811 C ASP A 112 -4.245 -13.396 0.057 1.00 0.00 C ATOM 1812 O ASP A 112 -4.454 -12.204 0.310 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.878 -15.047 1.869 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.692 -15.958 0.937 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -6.707 -15.488 0.372 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -5.290 -17.127 0.732 1.00 0.00 O ATOM 0 H ASP A 112 -3.081 -12.706 2.228 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.125 -15.114 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.484 -15.634 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.532 -14.288 2.298 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.494 -13.922 -1.148 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.006 -13.163 -2.295 1.00 0.00 C ATOM 1823 C ARG A 113 -6.381 -12.537 -2.038 1.00 0.00 C ATOM 1824 O ARG A 113 -6.627 -11.425 -2.496 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.014 -14.098 -3.516 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.165 -13.318 -4.825 1.00 0.00 C ATOM 1827 CD ARG A 113 -5.078 -14.268 -6.028 1.00 0.00 C ATOM 1828 NE ARG A 113 -5.070 -13.527 -7.304 1.00 0.00 N ATOM 1829 CZ ARG A 113 -6.043 -13.391 -8.184 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -5.823 -12.677 -9.249 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.219 -13.934 -8.038 1.00 0.00 N ATOM 0 H ARG A 113 -4.342 -14.909 -1.357 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.349 -12.313 -2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.089 -14.673 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -5.832 -14.813 -3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.121 -12.795 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.385 -12.559 -4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -4.174 -14.872 -5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.923 -14.956 -6.011 1.00 0.00 H new ATOM 0 HE ARG A 113 -4.195 -13.057 -7.537 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.914 -12.237 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.560 -12.557 -9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.422 -14.496 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.936 -13.797 -8.750 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.249 -13.187 -1.260 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.562 -12.655 -0.876 1.00 0.00 C ATOM 1847 C GLY A 114 -8.490 -11.442 0.064 1.00 0.00 C ATOM 1848 O GLY A 114 -9.367 -10.579 0.023 1.00 0.00 O ATOM 0 H GLY A 114 -7.059 -14.111 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.107 -12.373 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.136 -13.445 -0.391 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.421 -11.324 0.859 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.177 -10.170 1.736 1.00 0.00 C ATOM 1854 C ASP A 115 -6.515 -9.014 0.971 1.00 0.00 C ATOM 1855 O ASP A 115 -6.864 -7.851 1.171 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.337 -10.595 2.950 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.176 -11.370 3.975 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -7.039 -12.611 4.076 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -7.973 -10.720 4.693 1.00 0.00 O ATOM 0 H ASP A 115 -6.691 -12.035 0.913 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.138 -9.804 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.504 -11.215 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.908 -9.712 3.423 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.627 -9.325 0.027 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.098 -8.352 -0.925 1.00 0.00 C ATOM 1866 C ALA A 116 -6.173 -7.798 -1.879 1.00 0.00 C ATOM 1867 O ALA A 116 -6.140 -6.621 -2.237 1.00 0.00 O ATOM 1868 CB ALA A 116 -3.995 -9.050 -1.700 1.00 0.00 C ATOM 0 H ALA A 116 -5.253 -10.266 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.720 -7.484 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.568 -8.359 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.217 -9.378 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.407 -9.915 -2.220 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.168 -8.609 -2.245 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.325 -8.131 -3.009 1.00 0.00 C ATOM 1876 C PHE A 117 -9.124 -7.050 -2.261 1.00 0.00 C ATOM 1877 O PHE A 117 -9.584 -6.104 -2.898 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.203 -9.306 -3.469 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.939 -9.733 -4.906 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -10.001 -9.784 -5.832 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -7.632 -10.038 -5.338 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -9.757 -10.134 -7.172 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -7.388 -10.383 -6.678 1.00 0.00 C ATOM 1884 CZ PHE A 117 -8.451 -10.431 -7.598 1.00 0.00 C ATOM 0 H PHE A 117 -7.196 -9.604 -2.024 1.00 0.00 H new ATOM 0 HA PHE A 117 -7.943 -7.641 -3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.034 -10.156 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.252 -9.027 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -11.006 -9.553 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.813 -10.006 -4.634 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -10.575 -10.175 -7.876 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.383 -10.612 -7.002 1.00 0.00 H new ATOM 0 HZ PHE A 117 -8.264 -10.695 -8.628 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.221 -7.098 -0.927 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.845 -6.009 -0.156 1.00 0.00 C ATOM 1896 C ASP A 118 -9.047 -4.696 -0.265 1.00 0.00 C ATOM 1897 O ASP A 118 -9.649 -3.630 -0.394 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.012 -6.389 1.323 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.044 -7.494 1.598 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -10.835 -8.251 2.577 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.088 -7.564 0.904 1.00 0.00 O ATOM 0 H ASP A 118 -8.879 -7.873 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.831 -5.850 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.046 -6.711 1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.299 -5.498 1.881 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.709 -4.752 -0.282 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.845 -3.581 -0.496 1.00 0.00 C ATOM 1908 C PHE A 119 -7.140 -2.890 -1.838 1.00 0.00 C ATOM 1909 O PHE A 119 -7.387 -1.682 -1.867 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.370 -3.998 -0.349 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.348 -2.948 -0.743 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.732 -2.157 0.240 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -3.992 -2.774 -2.094 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -2.806 -1.169 -0.125 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.059 -1.789 -2.461 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.469 -0.979 -1.476 1.00 0.00 C ATOM 0 H PHE A 119 -7.190 -5.619 -0.146 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.061 -2.834 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.193 -4.280 0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.201 -4.888 -0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.972 -2.310 1.282 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.438 -3.401 -2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.350 -0.552 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -2.796 -1.655 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 119 -1.760 -0.214 -1.756 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.181 -3.637 -2.948 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.386 -3.035 -4.273 1.00 0.00 C ATOM 1928 C ASN A 120 -8.856 -2.717 -4.609 1.00 0.00 C ATOM 1929 O ASN A 120 -9.110 -1.833 -5.431 1.00 0.00 O ATOM 1930 CB ASN A 120 -6.672 -3.849 -5.370 1.00 0.00 C ATOM 1931 CG ASN A 120 -7.179 -5.263 -5.607 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -6.508 -6.240 -5.323 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -8.343 -5.434 -6.191 1.00 0.00 N ATOM 0 H ASN A 120 -7.076 -4.652 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 120 -6.914 -2.053 -4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.748 -3.298 -6.307 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -5.613 -3.904 -5.118 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.675 -6.375 -6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -8.915 -4.625 -6.434 1.00 0.00 H new ATOM 1940 N VAL A 121 -9.830 -3.396 -3.996 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.261 -3.094 -4.187 1.00 0.00 C ATOM 1942 C VAL A 121 -11.701 -1.905 -3.329 1.00 0.00 C ATOM 1943 O VAL A 121 -12.403 -1.031 -3.832 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.136 -4.341 -3.940 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.640 -4.027 -3.911 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -11.924 -5.375 -5.056 1.00 0.00 C ATOM 0 H VAL A 121 -9.655 -4.169 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.403 -2.805 -5.228 1.00 0.00 H new ATOM 0 HB VAL A 121 -11.829 -4.722 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.200 -4.945 -3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -13.848 -3.315 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -13.941 -3.598 -4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.548 -6.248 -4.866 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.196 -4.936 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -10.877 -5.676 -5.079 1.00 0.00 H new ATOM 1956 N SER A 122 -11.262 -1.806 -2.070 1.00 0.00 N ATOM 1957 CA SER A 122 -11.639 -0.682 -1.193 1.00 0.00 C ATOM 1958 C SER A 122 -11.131 0.672 -1.707 1.00 0.00 C ATOM 1959 O SER A 122 -11.837 1.675 -1.584 1.00 0.00 O ATOM 1960 CB SER A 122 -11.163 -0.923 0.241 1.00 0.00 C ATOM 1961 OG SER A 122 -9.756 -0.990 0.308 1.00 0.00 O ATOM 0 H SER A 122 -10.645 -2.489 -1.631 1.00 0.00 H new ATOM 0 HA SER A 122 -12.728 -0.636 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.522 -0.121 0.886 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.592 -1.851 0.618 1.00 0.00 H new ATOM 0 HG SER A 122 -9.461 -1.897 0.084 1.00 0.00 H new ATOM 1967 N LEU A 123 -9.963 0.695 -2.365 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.447 1.861 -3.088 1.00 0.00 C ATOM 1969 C LEU A 123 -10.341 2.234 -4.282 1.00 0.00 C ATOM 1970 O LEU A 123 -10.872 3.344 -4.331 1.00 0.00 O ATOM 1971 CB LEU A 123 -7.994 1.595 -3.529 1.00 0.00 C ATOM 1972 CG LEU A 123 -6.949 1.671 -2.400 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.597 1.176 -2.918 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.759 3.103 -1.887 1.00 0.00 C ATOM 0 H LEU A 123 -9.341 -0.112 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.458 2.718 -2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -7.943 0.606 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.726 2.316 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.314 1.049 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.859 1.230 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.692 0.144 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.276 1.801 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.013 3.109 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.423 3.741 -2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.706 3.479 -1.499 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.554 1.319 -5.237 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.293 1.639 -6.470 1.00 0.00 C ATOM 1988 C GLN A 124 -12.781 1.950 -6.220 1.00 0.00 C ATOM 1989 O GLN A 124 -13.365 2.785 -6.910 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.077 0.535 -7.522 1.00 0.00 C ATOM 1991 CG GLN A 124 -11.946 -0.713 -7.335 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.501 -1.853 -8.245 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.130 -2.179 -9.243 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.391 -2.495 -7.943 1.00 0.00 N ATOM 0 H GLN A 124 -10.227 0.354 -5.182 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.883 2.566 -6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.273 0.952 -8.510 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.029 0.236 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.898 -1.037 -6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.987 -0.466 -7.544 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -9.859 -2.231 -7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.064 -3.256 -8.539 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.384 1.357 -5.185 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.775 1.594 -4.790 1.00 0.00 C ATOM 2005 C ASP A 125 -14.944 2.885 -3.962 1.00 0.00 C ATOM 2006 O ASP A 125 -16.070 3.289 -3.667 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.320 0.355 -4.062 1.00 0.00 C ATOM 2008 CG ASP A 125 -16.839 0.420 -3.825 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.290 0.140 -2.687 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.593 0.722 -4.781 1.00 0.00 O ATOM 0 H ASP A 125 -12.907 0.684 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.366 1.754 -5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.086 -0.535 -4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -14.812 0.250 -3.103 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.846 3.583 -3.640 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.896 4.975 -3.183 1.00 0.00 C ATOM 2017 C HIS A 126 -13.681 5.996 -4.313 1.00 0.00 C ATOM 2018 O HIS A 126 -14.104 7.143 -4.182 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.936 5.195 -2.008 1.00 0.00 C ATOM 2020 CG HIS A 126 -13.250 6.474 -1.266 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -12.542 7.674 -1.368 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -14.329 6.668 -0.454 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.211 8.563 -0.612 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -14.282 7.983 -0.044 1.00 0.00 N ATOM 0 H HIS A 126 -12.903 3.199 -3.689 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.911 5.155 -2.828 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -13.000 4.350 -1.322 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.911 5.230 -2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -15.074 5.934 -0.185 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -12.928 9.597 -0.480 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -14.946 8.438 0.583 1.00 0.00 H new ATOM 2032 N PHE A 127 -13.099 5.589 -5.448 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.830 6.457 -6.605 1.00 0.00 C ATOM 2034 C PHE A 127 -13.819 6.327 -7.776 1.00 0.00 C ATOM 2035 O PHE A 127 -13.776 7.166 -8.674 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.383 6.244 -7.079 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.326 6.909 -6.216 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -10.241 8.315 -6.167 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.391 6.134 -5.509 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -9.208 8.935 -5.443 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -8.352 6.752 -4.792 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.255 8.154 -4.764 1.00 0.00 C ATOM 0 H PHE A 127 -12.795 4.626 -5.592 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.975 7.477 -6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -11.181 5.173 -7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.290 6.621 -8.098 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -10.971 8.917 -6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -9.471 5.057 -5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.146 10.013 -5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -7.628 6.150 -4.263 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.451 8.630 -4.223 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.738 5.347 -7.799 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.627 5.105 -8.964 1.00 0.00 C ATOM 2054 C LYS A 128 -16.443 6.317 -9.440 1.00 0.00 C ATOM 2055 O LYS A 128 -16.682 6.459 -10.638 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.506 3.852 -8.783 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.754 3.999 -7.894 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.406 4.125 -6.410 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.648 4.152 -5.517 1.00 0.00 C ATOM 2060 NZ LYS A 128 -19.307 2.822 -5.427 1.00 0.00 N ATOM 0 H LYS A 128 -14.890 4.703 -7.023 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.932 4.913 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.829 3.519 -9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.885 3.059 -8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.318 4.878 -8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.403 3.136 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.770 3.290 -6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.829 5.036 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.367 4.484 -4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.358 4.881 -5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.912 2.791 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -19.888 2.664 -6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.582 2.079 -5.361 1.00 0.00 H new