USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 707 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -80:sc= -0.932! USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.059) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.636 USER MOD Single : A 29 LYS NZ :NH3+ -171:sc=-0.00828 (180deg=-0.0909) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.532 K(o=-0.53,f=-4.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -163:sc= -0.102 (180deg=-0.596) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.01 K(o=1,f=-0.19) USER MOD Single : A 49 HIS : no HE2:sc= 0.171 K(o=0.17,f=-1.1) USER MOD Single : B 213 THR OG1 : rot -170:sc= -1.38 USER MOD Single : B 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD Single : B 229 LYS NZ :NH3+ -135:sc= -1.43 (180deg=-3.89!) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 236 THR OG1 : rot 180:sc= 0 USER MOD Single : B 237 SER OG : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl -162:sc= -0.14 (180deg=-0.602) USER MOD Single : B 239 SER OG : rot 180:sc= 0 USER MOD Single : B 241 TYR OH : rot 30:sc= 0.794 USER MOD Single : B 248 ASN : amide:sc= -0.0942 K(o=-0.094,f=-2!) USER MOD Single : B 249 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-3.7) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 11 6.160 13.910 -10.099 1.00 44.11 N ATOM 146 CA LYS A 11 7.061 12.752 -10.211 1.00 63.42 C ATOM 147 C LYS A 11 7.721 12.401 -8.863 1.00 41.52 C ATOM 148 O LYS A 11 8.828 11.859 -8.822 1.00 64.51 O ATOM 149 CB LYS A 11 8.130 13.049 -11.276 1.00 74.33 C ATOM 150 CG LYS A 11 8.921 14.333 -11.018 1.00 43.24 C ATOM 151 CD LYS A 11 9.883 14.656 -12.159 1.00 74.23 C ATOM 152 CE LYS A 11 9.148 14.893 -13.473 1.00 41.10 C ATOM 153 NZ LYS A 11 10.078 15.246 -14.577 1.00 34.24 N ATOM 0 HA LYS A 11 6.472 11.885 -10.509 1.00 63.42 H new ATOM 0 HB2 LYS A 11 8.824 12.210 -11.324 1.00 74.33 H new ATOM 0 HB3 LYS A 11 7.648 13.120 -12.251 1.00 74.33 H new ATOM 0 HG2 LYS A 11 8.228 15.164 -10.883 1.00 43.24 H new ATOM 0 HG3 LYS A 11 9.482 14.232 -10.089 1.00 43.24 H new ATOM 0 HD2 LYS A 11 10.465 15.542 -11.904 1.00 74.23 H new ATOM 0 HD3 LYS A 11 10.590 13.835 -12.281 1.00 74.23 H new ATOM 0 HE2 LYS A 11 8.590 13.997 -13.742 1.00 41.10 H new ATOM 0 HE3 LYS A 11 8.421 15.694 -13.342 1.00 41.10 H new ATOM 0 HZ1 LYS A 11 9.536 15.399 -15.452 1.00 34.24 H new ATOM 0 HZ2 LYS A 11 10.593 16.116 -14.332 1.00 34.24 H new ATOM 0 HZ3 LYS A 11 10.756 14.471 -14.721 1.00 34.24 H new ATOM 167 N ASP A 12 7.018 12.688 -7.771 1.00 53.34 N ATOM 168 CA ASP A 12 7.514 12.422 -6.411 1.00 74.13 C ATOM 169 C ASP A 12 7.431 10.928 -6.041 1.00 73.10 C ATOM 170 O ASP A 12 8.412 10.324 -5.604 1.00 51.35 O ATOM 171 CB ASP A 12 6.702 13.252 -5.406 1.00 22.32 C ATOM 172 CG ASP A 12 5.208 13.047 -5.583 1.00 3.23 C ATOM 173 OD1 ASP A 12 4.653 13.578 -6.561 1.00 33.13 O ATOM 174 OD2 ASP A 12 4.587 12.333 -4.770 1.00 62.44 O ATOM 0 H ASP A 12 6.090 13.111 -7.796 1.00 53.34 H new ATOM 0 HA ASP A 12 8.566 12.706 -6.377 1.00 74.13 H new ATOM 0 HB2 ASP A 12 6.989 12.977 -4.391 1.00 22.32 H new ATOM 0 HB3 ASP A 12 6.941 14.308 -5.529 1.00 22.32 H new ATOM 179 N THR A 13 6.247 10.347 -6.210 1.00 55.11 N ATOM 180 CA THR A 13 5.983 8.961 -5.806 1.00 22.55 C ATOM 181 C THR A 13 5.756 8.044 -7.015 1.00 15.12 C ATOM 182 O THR A 13 5.122 8.435 -7.998 1.00 63.42 O ATOM 183 CB THR A 13 4.752 8.885 -4.869 1.00 24.15 C ATOM 184 OG1 THR A 13 3.657 9.628 -5.430 1.00 44.10 O ATOM 185 CG2 THR A 13 5.076 9.433 -3.481 1.00 51.00 C ATOM 0 H THR A 13 5.444 10.817 -6.628 1.00 55.11 H new ATOM 0 HA THR A 13 6.869 8.615 -5.274 1.00 22.55 H new ATOM 0 HB THR A 13 4.474 7.836 -4.771 1.00 24.15 H new ATOM 0 HG1 THR A 13 3.784 10.583 -5.251 1.00 44.10 H new ATOM 0 HG21 THR A 13 4.191 9.366 -2.848 1.00 51.00 H new ATOM 0 HG22 THR A 13 5.884 8.850 -3.039 1.00 51.00 H new ATOM 0 HG23 THR A 13 5.384 10.475 -3.564 1.00 51.00 H new ATOM 193 N LYS A 14 6.257 6.812 -6.929 1.00 44.42 N ATOM 194 CA LYS A 14 6.199 5.869 -8.055 1.00 53.14 C ATOM 195 C LYS A 14 5.010 4.899 -7.923 1.00 50.42 C ATOM 196 O LYS A 14 4.714 4.415 -6.830 1.00 45.25 O ATOM 197 CB LYS A 14 7.518 5.086 -8.155 1.00 63.12 C ATOM 198 CG LYS A 14 8.758 5.978 -8.272 1.00 15.12 C ATOM 199 CD LYS A 14 8.667 6.940 -9.461 1.00 25.32 C ATOM 200 CE LYS A 14 8.656 6.203 -10.799 1.00 31.45 C ATOM 201 NZ LYS A 14 9.953 5.528 -11.080 1.00 62.30 N ATOM 0 H LYS A 14 6.708 6.440 -6.093 1.00 44.42 H new ATOM 0 HA LYS A 14 6.053 6.446 -8.968 1.00 53.14 H new ATOM 0 HB2 LYS A 14 7.620 4.451 -7.275 1.00 63.12 H new ATOM 0 HB3 LYS A 14 7.473 4.426 -9.021 1.00 63.12 H new ATOM 0 HG2 LYS A 14 8.880 6.550 -7.352 1.00 15.12 H new ATOM 0 HG3 LYS A 14 9.645 5.353 -8.379 1.00 15.12 H new ATOM 0 HD2 LYS A 14 7.762 7.541 -9.372 1.00 25.32 H new ATOM 0 HD3 LYS A 14 9.511 7.629 -9.434 1.00 25.32 H new ATOM 0 HE2 LYS A 14 7.856 5.463 -10.798 1.00 31.45 H new ATOM 0 HE3 LYS A 14 8.435 6.909 -11.599 1.00 31.45 H new ATOM 0 HZ1 LYS A 14 9.942 5.142 -12.046 1.00 62.30 H new ATOM 0 HZ2 LYS A 14 10.728 6.215 -10.991 1.00 62.30 H new ATOM 0 HZ3 LYS A 14 10.096 4.754 -10.400 1.00 62.30 H new ATOM 215 N PRO A 15 4.309 4.608 -9.037 1.00 1.13 N ATOM 216 CA PRO A 15 3.132 3.717 -9.026 1.00 20.11 C ATOM 217 C PRO A 15 3.489 2.229 -8.814 1.00 4.31 C ATOM 218 O PRO A 15 3.934 1.539 -9.736 1.00 33.32 O ATOM 219 CB PRO A 15 2.513 3.940 -10.413 1.00 63.05 C ATOM 220 CG PRO A 15 3.659 4.343 -11.278 1.00 12.15 C ATOM 221 CD PRO A 15 4.594 5.126 -10.392 1.00 2.24 C ATOM 0 HA PRO A 15 2.462 3.947 -8.197 1.00 20.11 H new ATOM 0 HB2 PRO A 15 2.036 3.033 -10.784 1.00 63.05 H new ATOM 0 HB3 PRO A 15 1.746 4.714 -10.385 1.00 63.05 H new ATOM 0 HG2 PRO A 15 4.158 3.469 -11.696 1.00 12.15 H new ATOM 0 HG3 PRO A 15 3.319 4.948 -12.118 1.00 12.15 H new ATOM 0 HD2 PRO A 15 5.636 4.968 -10.670 1.00 2.24 H new ATOM 0 HD3 PRO A 15 4.406 6.198 -10.459 1.00 2.24 H new ATOM 229 N VAL A 16 3.298 1.751 -7.587 1.00 73.31 N ATOM 230 CA VAL A 16 3.530 0.344 -7.244 1.00 62.52 C ATOM 231 C VAL A 16 2.204 -0.433 -7.192 1.00 41.45 C ATOM 232 O VAL A 16 1.216 0.045 -6.632 1.00 40.42 O ATOM 233 CB VAL A 16 4.255 0.221 -5.878 1.00 24.14 C ATOM 234 CG1 VAL A 16 4.522 -1.240 -5.525 1.00 70.51 C ATOM 235 CG2 VAL A 16 5.557 1.026 -5.879 1.00 14.35 C ATOM 0 H VAL A 16 2.980 2.322 -6.804 1.00 73.31 H new ATOM 0 HA VAL A 16 4.162 -0.084 -8.022 1.00 62.52 H new ATOM 0 HB VAL A 16 3.598 0.635 -5.113 1.00 24.14 H new ATOM 0 HG11 VAL A 16 5.031 -1.295 -4.563 1.00 70.51 H new ATOM 0 HG12 VAL A 16 3.576 -1.779 -5.466 1.00 70.51 H new ATOM 0 HG13 VAL A 16 5.150 -1.691 -6.294 1.00 70.51 H new ATOM 0 HG21 VAL A 16 6.048 0.925 -4.911 1.00 14.35 H new ATOM 0 HG22 VAL A 16 6.216 0.650 -6.661 1.00 14.35 H new ATOM 0 HG23 VAL A 16 5.335 2.077 -6.065 1.00 14.35 H new ATOM 245 N VAL A 17 2.178 -1.626 -7.779 1.00 1.12 N ATOM 246 CA VAL A 17 0.957 -2.440 -7.810 1.00 72.13 C ATOM 247 C VAL A 17 0.887 -3.412 -6.617 1.00 10.31 C ATOM 248 O VAL A 17 1.609 -4.410 -6.568 1.00 43.31 O ATOM 249 CB VAL A 17 0.849 -3.247 -9.130 1.00 34.13 C ATOM 250 CG1 VAL A 17 -0.450 -4.052 -9.173 1.00 33.42 C ATOM 251 CG2 VAL A 17 0.953 -2.320 -10.341 1.00 62.31 C ATOM 0 H VAL A 17 2.982 -2.053 -8.239 1.00 1.12 H new ATOM 0 HA VAL A 17 0.121 -1.744 -7.745 1.00 72.13 H new ATOM 0 HB VAL A 17 1.682 -3.949 -9.166 1.00 34.13 H new ATOM 0 HG11 VAL A 17 -0.502 -4.609 -10.108 1.00 33.42 H new ATOM 0 HG12 VAL A 17 -0.475 -4.748 -8.334 1.00 33.42 H new ATOM 0 HG13 VAL A 17 -1.301 -3.374 -9.107 1.00 33.42 H new ATOM 0 HG21 VAL A 17 0.875 -2.907 -11.256 1.00 62.31 H new ATOM 0 HG22 VAL A 17 0.146 -1.588 -10.309 1.00 62.31 H new ATOM 0 HG23 VAL A 17 1.913 -1.803 -10.322 1.00 62.31 H new ATOM 261 N VAL A 18 0.017 -3.107 -5.655 1.00 41.12 N ATOM 262 CA VAL A 18 -0.205 -3.980 -4.491 1.00 43.21 C ATOM 263 C VAL A 18 -1.587 -4.648 -4.568 1.00 65.32 C ATOM 264 O VAL A 18 -2.566 -4.016 -4.945 1.00 11.33 O ATOM 265 CB VAL A 18 -0.098 -3.187 -3.164 1.00 33.44 C ATOM 266 CG1 VAL A 18 -0.327 -4.104 -1.962 1.00 10.35 C ATOM 267 CG2 VAL A 18 1.256 -2.479 -3.065 1.00 1.44 C ATOM 0 H VAL A 18 -0.550 -2.259 -5.654 1.00 41.12 H new ATOM 0 HA VAL A 18 0.571 -4.745 -4.509 1.00 43.21 H new ATOM 0 HB VAL A 18 -0.878 -2.426 -3.157 1.00 33.44 H new ATOM 0 HG11 VAL A 18 -0.247 -3.525 -1.042 1.00 10.35 H new ATOM 0 HG12 VAL A 18 -1.321 -4.547 -2.027 1.00 10.35 H new ATOM 0 HG13 VAL A 18 0.423 -4.895 -1.959 1.00 10.35 H new ATOM 0 HG21 VAL A 18 1.311 -1.928 -2.126 1.00 1.44 H new ATOM 0 HG22 VAL A 18 2.056 -3.218 -3.099 1.00 1.44 H new ATOM 0 HG23 VAL A 18 1.366 -1.786 -3.899 1.00 1.44 H new ATOM 277 N ARG A 19 -1.665 -5.925 -4.208 1.00 23.24 N ATOM 278 CA ARG A 19 -2.923 -6.673 -4.320 1.00 33.31 C ATOM 279 C ARG A 19 -3.591 -6.897 -2.952 1.00 30.21 C ATOM 280 O ARG A 19 -2.930 -7.249 -1.974 1.00 64.53 O ATOM 281 CB ARG A 19 -2.665 -8.025 -4.990 1.00 14.24 C ATOM 282 CG ARG A 19 -1.915 -7.930 -6.316 1.00 74.32 C ATOM 283 CD ARG A 19 -1.756 -9.294 -6.976 1.00 12.24 C ATOM 284 NE ARG A 19 -0.830 -9.257 -8.106 1.00 15.03 N ATOM 285 CZ ARG A 19 -0.881 -10.080 -9.119 1.00 43.14 C ATOM 286 NH1 ARG A 19 -1.849 -10.931 -9.236 1.00 74.22 N ATOM 287 NH2 ARG A 19 0.030 -10.035 -10.034 1.00 13.24 N ATOM 0 H ARG A 19 -0.882 -6.464 -3.839 1.00 23.24 H new ATOM 0 HA ARG A 19 -3.603 -6.076 -4.927 1.00 33.31 H new ATOM 0 HB2 ARG A 19 -2.095 -8.654 -4.307 1.00 14.24 H new ATOM 0 HB3 ARG A 19 -3.620 -8.522 -5.160 1.00 14.24 H new ATOM 0 HG2 ARG A 19 -2.451 -7.261 -6.989 1.00 74.32 H new ATOM 0 HG3 ARG A 19 -0.932 -7.491 -6.147 1.00 74.32 H new ATOM 0 HD2 ARG A 19 -1.398 -10.013 -6.239 1.00 12.24 H new ATOM 0 HD3 ARG A 19 -2.729 -9.646 -7.318 1.00 12.24 H new ATOM 0 HE ARG A 19 -0.099 -8.545 -8.103 1.00 15.03 H new ATOM 0 HH11 ARG A 19 -2.586 -10.965 -8.531 1.00 74.22 H new ATOM 0 HH12 ARG A 19 -1.875 -11.567 -10.033 1.00 74.22 H new ATOM 0 HH21 ARG A 19 0.789 -9.357 -9.965 1.00 13.24 H new ATOM 0 HH22 ARG A 19 -0.010 -10.678 -10.825 1.00 13.24 H new ATOM 301 N LEU A 20 -4.910 -6.709 -2.899 1.00 23.31 N ATOM 302 CA LEU A 20 -5.683 -6.935 -1.669 1.00 1.52 C ATOM 303 C LEU A 20 -6.966 -7.734 -1.973 1.00 52.42 C ATOM 304 O LEU A 20 -7.415 -7.796 -3.118 1.00 53.44 O ATOM 305 CB LEU A 20 -6.022 -5.591 -1.000 1.00 32.21 C ATOM 306 CG LEU A 20 -6.761 -5.678 0.354 1.00 23.34 C ATOM 307 CD1 LEU A 20 -5.932 -6.448 1.381 1.00 3.23 C ATOM 308 CD2 LEU A 20 -7.102 -4.282 0.873 1.00 51.54 C ATOM 0 H LEU A 20 -5.470 -6.400 -3.694 1.00 23.31 H new ATOM 0 HA LEU A 20 -5.076 -7.521 -0.979 1.00 1.52 H new ATOM 0 HB2 LEU A 20 -5.095 -5.038 -0.851 1.00 32.21 H new ATOM 0 HB3 LEU A 20 -6.634 -5.008 -1.689 1.00 32.21 H new ATOM 0 HG LEU A 20 -7.692 -6.222 0.196 1.00 23.34 H new ATOM 0 HD11 LEU A 20 -6.475 -6.495 2.325 1.00 3.23 H new ATOM 0 HD12 LEU A 20 -5.749 -7.459 1.017 1.00 3.23 H new ATOM 0 HD13 LEU A 20 -4.980 -5.940 1.535 1.00 3.23 H new ATOM 0 HD21 LEU A 20 -7.622 -4.366 1.827 1.00 51.54 H new ATOM 0 HD22 LEU A 20 -6.184 -3.710 1.009 1.00 51.54 H new ATOM 0 HD23 LEU A 20 -7.744 -3.773 0.154 1.00 51.54 H new ATOM 320 N TYR A 21 -7.546 -8.346 -0.944 1.00 51.41 N ATOM 321 CA TYR A 21 -8.719 -9.212 -1.102 1.00 62.23 C ATOM 322 C TYR A 21 -9.947 -8.446 -1.644 1.00 3.34 C ATOM 323 O TYR A 21 -10.369 -7.447 -1.060 1.00 31.24 O ATOM 324 CB TYR A 21 -9.049 -9.866 0.242 1.00 63.13 C ATOM 325 CG TYR A 21 -7.872 -10.611 0.846 1.00 64.15 C ATOM 326 CD1 TYR A 21 -7.553 -11.899 0.434 1.00 5.51 C ATOM 327 CD2 TYR A 21 -7.074 -10.021 1.822 1.00 5.52 C ATOM 328 CE1 TYR A 21 -6.479 -12.576 0.974 1.00 51.24 C ATOM 329 CE2 TYR A 21 -5.998 -10.693 2.366 1.00 12.13 C ATOM 330 CZ TYR A 21 -5.707 -11.971 1.942 1.00 1.41 C ATOM 331 OH TYR A 21 -4.638 -12.645 2.483 1.00 61.14 O ATOM 0 H TYR A 21 -7.221 -8.259 0.019 1.00 51.41 H new ATOM 0 HA TYR A 21 -8.475 -9.977 -1.839 1.00 62.23 H new ATOM 0 HB2 TYR A 21 -9.383 -9.099 0.940 1.00 63.13 H new ATOM 0 HB3 TYR A 21 -9.880 -10.559 0.108 1.00 63.13 H new ATOM 0 HD1 TYR A 21 -8.156 -12.379 -0.322 1.00 5.51 H new ATOM 0 HD2 TYR A 21 -7.301 -9.020 2.159 1.00 5.52 H new ATOM 0 HE1 TYR A 21 -6.244 -13.576 0.640 1.00 51.24 H new ATOM 0 HE2 TYR A 21 -5.387 -10.219 3.120 1.00 12.13 H new ATOM 0 HH TYR A 21 -4.198 -12.078 3.150 1.00 61.14 H new ATOM 341 N PRO A 22 -10.553 -8.935 -2.753 1.00 20.54 N ATOM 342 CA PRO A 22 -11.666 -8.243 -3.444 1.00 73.22 C ATOM 343 C PRO A 22 -12.815 -7.827 -2.509 1.00 44.02 C ATOM 344 O PRO A 22 -13.182 -6.650 -2.441 1.00 64.22 O ATOM 345 CB PRO A 22 -12.158 -9.292 -4.453 1.00 3.54 C ATOM 346 CG PRO A 22 -10.971 -10.157 -4.710 1.00 32.22 C ATOM 347 CD PRO A 22 -10.206 -10.212 -3.415 1.00 50.14 C ATOM 0 HA PRO A 22 -11.330 -7.306 -3.888 1.00 73.22 H new ATOM 0 HB2 PRO A 22 -12.989 -9.870 -4.049 1.00 3.54 H new ATOM 0 HB3 PRO A 22 -12.512 -8.823 -5.371 1.00 3.54 H new ATOM 0 HG2 PRO A 22 -11.277 -11.155 -5.025 1.00 32.22 H new ATOM 0 HG3 PRO A 22 -10.355 -9.746 -5.509 1.00 32.22 H new ATOM 0 HD2 PRO A 22 -10.501 -11.070 -2.811 1.00 50.14 H new ATOM 0 HD3 PRO A 22 -9.133 -10.296 -3.586 1.00 50.14 H new ATOM 355 N ASP A 23 -13.371 -8.801 -1.792 1.00 55.12 N ATOM 356 CA ASP A 23 -14.501 -8.570 -0.886 1.00 24.21 C ATOM 357 C ASP A 23 -14.177 -7.498 0.172 1.00 2.55 C ATOM 358 O ASP A 23 -15.004 -6.637 0.483 1.00 31.54 O ATOM 359 CB ASP A 23 -14.875 -9.893 -0.206 1.00 14.32 C ATOM 360 CG ASP A 23 -16.104 -9.773 0.677 1.00 52.35 C ATOM 361 OD1 ASP A 23 -17.223 -9.691 0.131 1.00 4.33 O ATOM 362 OD2 ASP A 23 -15.957 -9.780 1.918 1.00 24.13 O ATOM 0 H ASP A 23 -13.055 -9.770 -1.820 1.00 55.12 H new ATOM 0 HA ASP A 23 -15.343 -8.200 -1.471 1.00 24.21 H new ATOM 0 HB2 ASP A 23 -15.054 -10.651 -0.969 1.00 14.32 H new ATOM 0 HB3 ASP A 23 -14.034 -10.238 0.395 1.00 14.32 H new ATOM 367 N GLU A 24 -12.960 -7.543 0.707 1.00 44.41 N ATOM 368 CA GLU A 24 -12.551 -6.620 1.770 1.00 62.21 C ATOM 369 C GLU A 24 -12.232 -5.220 1.219 1.00 21.44 C ATOM 370 O GLU A 24 -12.407 -4.221 1.917 1.00 20.21 O ATOM 371 CB GLU A 24 -11.361 -7.204 2.540 1.00 41.01 C ATOM 372 CG GLU A 24 -11.653 -8.597 3.096 1.00 62.32 C ATOM 373 CD GLU A 24 -10.589 -9.101 4.054 1.00 11.34 C ATOM 374 OE1 GLU A 24 -9.537 -9.570 3.587 1.00 14.34 O ATOM 375 OE2 GLU A 24 -10.812 -9.044 5.284 1.00 12.53 O ATOM 0 H GLU A 24 -12.238 -8.206 0.425 1.00 44.41 H new ATOM 0 HA GLU A 24 -13.387 -6.501 2.459 1.00 62.21 H new ATOM 0 HB2 GLU A 24 -10.494 -7.253 1.881 1.00 41.01 H new ATOM 0 HB3 GLU A 24 -11.100 -6.536 3.361 1.00 41.01 H new ATOM 0 HG2 GLU A 24 -12.615 -8.581 3.609 1.00 62.32 H new ATOM 0 HG3 GLU A 24 -11.746 -9.298 2.267 1.00 62.32 H new ATOM 382 N ILE A 25 -11.775 -5.143 -0.035 1.00 63.01 N ATOM 383 CA ILE A 25 -11.633 -3.850 -0.718 1.00 24.24 C ATOM 384 C ILE A 25 -13.009 -3.187 -0.877 1.00 14.42 C ATOM 385 O ILE A 25 -13.167 -1.988 -0.652 1.00 14.51 O ATOM 386 CB ILE A 25 -10.968 -4.000 -2.115 1.00 62.22 C ATOM 387 CG1 ILE A 25 -9.533 -4.537 -1.978 1.00 23.32 C ATOM 388 CG2 ILE A 25 -10.976 -2.669 -2.874 1.00 3.53 C ATOM 389 CD1 ILE A 25 -8.816 -4.709 -3.300 1.00 1.02 C ATOM 0 H ILE A 25 -11.499 -5.950 -0.594 1.00 63.01 H new ATOM 0 HA ILE A 25 -10.986 -3.226 -0.102 1.00 24.24 H new ATOM 0 HB ILE A 25 -11.551 -4.719 -2.690 1.00 62.22 H new ATOM 0 HG12 ILE A 25 -8.959 -3.856 -1.350 1.00 23.32 H new ATOM 0 HG13 ILE A 25 -9.562 -5.497 -1.463 1.00 23.32 H new ATOM 0 HG21 ILE A 25 -10.505 -2.803 -3.848 1.00 3.53 H new ATOM 0 HG22 ILE A 25 -12.004 -2.335 -3.011 1.00 3.53 H new ATOM 0 HG23 ILE A 25 -10.425 -1.922 -2.304 1.00 3.53 H new ATOM 0 HD11 ILE A 25 -7.811 -5.091 -3.122 1.00 1.02 H new ATOM 0 HD12 ILE A 25 -9.366 -5.413 -3.924 1.00 1.02 H new ATOM 0 HD13 ILE A 25 -8.754 -3.747 -3.808 1.00 1.02 H new ATOM 401 N GLU A 26 -14.002 -3.997 -1.245 1.00 73.02 N ATOM 402 CA GLU A 26 -15.391 -3.538 -1.370 1.00 43.45 C ATOM 403 C GLU A 26 -15.903 -2.954 -0.039 1.00 42.42 C ATOM 404 O GLU A 26 -16.614 -1.951 -0.018 1.00 51.41 O ATOM 405 CB GLU A 26 -16.279 -4.710 -1.823 1.00 73.33 C ATOM 406 CG GLU A 26 -17.749 -4.351 -2.019 1.00 23.24 C ATOM 407 CD GLU A 26 -18.562 -5.521 -2.550 1.00 32.52 C ATOM 408 OE1 GLU A 26 -19.023 -6.353 -1.740 1.00 43.03 O ATOM 409 OE2 GLU A 26 -18.725 -5.627 -3.785 1.00 61.34 O ATOM 0 H GLU A 26 -13.871 -4.984 -1.464 1.00 73.02 H new ATOM 0 HA GLU A 26 -15.433 -2.745 -2.116 1.00 43.45 H new ATOM 0 HB2 GLU A 26 -15.887 -5.106 -2.760 1.00 73.33 H new ATOM 0 HB3 GLU A 26 -16.208 -5.509 -1.085 1.00 73.33 H new ATOM 0 HG2 GLU A 26 -18.170 -4.020 -1.070 1.00 23.24 H new ATOM 0 HG3 GLU A 26 -17.827 -3.513 -2.712 1.00 23.24 H new ATOM 416 N ALA A 27 -15.526 -3.594 1.069 1.00 41.21 N ATOM 417 CA ALA A 27 -15.872 -3.100 2.411 1.00 1.21 C ATOM 418 C ALA A 27 -15.056 -1.848 2.782 1.00 14.01 C ATOM 419 O ALA A 27 -15.574 -0.915 3.402 1.00 4.23 O ATOM 420 CB ALA A 27 -15.658 -4.202 3.447 1.00 63.30 C ATOM 0 H ALA A 27 -14.981 -4.456 1.068 1.00 41.21 H new ATOM 0 HA ALA A 27 -16.924 -2.816 2.403 1.00 1.21 H new ATOM 0 HB1 ALA A 27 -15.917 -3.826 4.437 1.00 63.30 H new ATOM 0 HB2 ALA A 27 -16.291 -5.056 3.206 1.00 63.30 H new ATOM 0 HB3 ALA A 27 -14.613 -4.511 3.438 1.00 63.30 H new ATOM 426 N LEU A 28 -13.778 -1.828 2.396 1.00 53.35 N ATOM 427 CA LEU A 28 -12.885 -0.699 2.699 1.00 52.20 C ATOM 428 C LEU A 28 -13.335 0.591 1.994 1.00 10.50 C ATOM 429 O LEU A 28 -13.415 1.655 2.613 1.00 14.34 O ATOM 430 CB LEU A 28 -11.440 -1.032 2.295 1.00 52.01 C ATOM 431 CG LEU A 28 -10.408 0.085 2.549 1.00 22.55 C ATOM 432 CD1 LEU A 28 -10.334 0.435 4.035 1.00 10.23 C ATOM 433 CD2 LEU A 28 -9.034 -0.318 2.019 1.00 15.11 C ATOM 0 H LEU A 28 -13.334 -2.582 1.871 1.00 53.35 H new ATOM 0 HA LEU A 28 -12.932 -0.531 3.775 1.00 52.20 H new ATOM 0 HB2 LEU A 28 -11.126 -1.924 2.837 1.00 52.01 H new ATOM 0 HB3 LEU A 28 -11.426 -1.282 1.234 1.00 52.01 H new ATOM 0 HG LEU A 28 -10.735 0.974 2.010 1.00 22.55 H new ATOM 0 HD11 LEU A 28 -9.599 1.225 4.186 1.00 10.23 H new ATOM 0 HD12 LEU A 28 -11.311 0.777 4.377 1.00 10.23 H new ATOM 0 HD13 LEU A 28 -10.040 -0.448 4.603 1.00 10.23 H new ATOM 0 HD21 LEU A 28 -8.321 0.484 2.209 1.00 15.11 H new ATOM 0 HD22 LEU A 28 -8.701 -1.225 2.523 1.00 15.11 H new ATOM 0 HD23 LEU A 28 -9.097 -0.501 0.946 1.00 15.11 H new ATOM 445 N LYS A 29 -13.649 0.487 0.701 1.00 73.14 N ATOM 446 CA LYS A 29 -14.015 1.658 -0.113 1.00 62.23 C ATOM 447 C LYS A 29 -15.332 2.317 0.345 1.00 20.23 C ATOM 448 O LYS A 29 -15.786 3.295 -0.251 1.00 34.40 O ATOM 449 CB LYS A 29 -14.096 1.271 -1.597 1.00 21.14 C ATOM 450 CG LYS A 29 -15.176 0.249 -1.928 1.00 33.51 C ATOM 451 CD LYS A 29 -15.090 -0.218 -3.382 1.00 43.54 C ATOM 452 CE LYS A 29 -15.311 0.922 -4.377 1.00 71.13 C ATOM 453 NZ LYS A 29 -16.672 1.508 -4.255 1.00 24.34 N ATOM 0 H LYS A 29 -13.658 -0.396 0.190 1.00 73.14 H new ATOM 0 HA LYS A 29 -13.228 2.399 0.026 1.00 62.23 H new ATOM 0 HB2 LYS A 29 -14.274 2.172 -2.185 1.00 21.14 H new ATOM 0 HB3 LYS A 29 -13.130 0.873 -1.908 1.00 21.14 H new ATOM 0 HG2 LYS A 29 -15.079 -0.610 -1.264 1.00 33.51 H new ATOM 0 HG3 LYS A 29 -16.158 0.685 -1.744 1.00 33.51 H new ATOM 0 HD2 LYS A 29 -14.112 -0.666 -3.559 1.00 43.54 H new ATOM 0 HD3 LYS A 29 -15.833 -0.996 -3.555 1.00 43.54 H new ATOM 0 HE2 LYS A 29 -14.565 1.699 -4.211 1.00 71.13 H new ATOM 0 HE3 LYS A 29 -15.165 0.552 -5.392 1.00 71.13 H new ATOM 0 HZ1 LYS A 29 -16.837 2.169 -5.041 1.00 24.34 H new ATOM 0 HZ2 LYS A 29 -17.381 0.748 -4.287 1.00 24.34 H new ATOM 0 HZ3 LYS A 29 -16.751 2.017 -3.352 1.00 24.34 H new ATOM 467 N SER A 30 -15.939 1.780 1.401 1.00 4.14 N ATOM 468 CA SER A 30 -17.125 2.393 2.015 1.00 10.40 C ATOM 469 C SER A 30 -16.737 3.605 2.877 1.00 51.10 C ATOM 470 O SER A 30 -17.366 4.663 2.806 1.00 74.21 O ATOM 471 CB SER A 30 -17.874 1.365 2.877 1.00 22.15 C ATOM 472 OG SER A 30 -19.009 1.944 3.504 1.00 73.41 O ATOM 0 H SER A 30 -15.632 0.919 1.854 1.00 4.14 H new ATOM 0 HA SER A 30 -17.778 2.733 1.211 1.00 10.40 H new ATOM 0 HB2 SER A 30 -18.188 0.526 2.255 1.00 22.15 H new ATOM 0 HB3 SER A 30 -17.201 0.965 3.636 1.00 22.15 H new ATOM 0 HG SER A 30 -19.466 1.266 4.044 1.00 73.41 H new ATOM 478 N ARG A 31 -15.677 3.456 3.675 1.00 71.54 N ATOM 479 CA ARG A 31 -15.262 4.505 4.623 1.00 25.42 C ATOM 480 C ARG A 31 -14.092 5.354 4.091 1.00 70.42 C ATOM 481 O ARG A 31 -13.439 6.070 4.853 1.00 4.42 O ATOM 482 CB ARG A 31 -14.889 3.884 5.983 1.00 35.41 C ATOM 483 CG ARG A 31 -13.843 2.771 5.909 1.00 4.34 C ATOM 484 CD ARG A 31 -13.432 2.296 7.303 1.00 1.21 C ATOM 485 NE ARG A 31 -12.599 1.094 7.261 1.00 63.00 N ATOM 486 CZ ARG A 31 -11.573 0.884 8.047 1.00 45.41 C ATOM 487 NH1 ARG A 31 -11.190 1.778 8.898 1.00 5.13 N ATOM 488 NH2 ARG A 31 -10.923 -0.229 7.985 1.00 0.41 N ATOM 0 H ARG A 31 -15.089 2.623 3.687 1.00 71.54 H new ATOM 0 HA ARG A 31 -16.115 5.172 4.749 1.00 25.42 H new ATOM 0 HB2 ARG A 31 -14.516 4.672 6.637 1.00 35.41 H new ATOM 0 HB3 ARG A 31 -15.792 3.486 6.446 1.00 35.41 H new ATOM 0 HG2 ARG A 31 -14.243 1.931 5.340 1.00 4.34 H new ATOM 0 HG3 ARG A 31 -12.965 3.130 5.372 1.00 4.34 H new ATOM 0 HD2 ARG A 31 -12.889 3.093 7.810 1.00 1.21 H new ATOM 0 HD3 ARG A 31 -14.326 2.094 7.893 1.00 1.21 H new ATOM 0 HE ARG A 31 -12.832 0.375 6.577 1.00 63.00 H new ATOM 0 HH11 ARG A 31 -11.689 2.665 8.965 1.00 5.13 H new ATOM 0 HH12 ARG A 31 -10.388 1.597 9.502 1.00 5.13 H new ATOM 0 HH21 ARG A 31 -11.208 -0.950 7.322 1.00 0.41 H new ATOM 0 HH22 ARG A 31 -10.124 -0.388 8.599 1.00 0.41 H new ATOM 502 N VAL A 32 -13.832 5.287 2.787 1.00 40.22 N ATOM 503 CA VAL A 32 -12.775 6.106 2.178 1.00 73.24 C ATOM 504 C VAL A 32 -13.304 7.502 1.798 1.00 23.13 C ATOM 505 O VAL A 32 -14.465 7.648 1.406 1.00 14.01 O ATOM 506 CB VAL A 32 -12.166 5.432 0.920 1.00 51.11 C ATOM 507 CG1 VAL A 32 -11.588 4.062 1.266 1.00 13.43 C ATOM 508 CG2 VAL A 32 -13.198 5.324 -0.200 1.00 20.30 C ATOM 0 H VAL A 32 -14.330 4.682 2.134 1.00 40.22 H new ATOM 0 HA VAL A 32 -11.992 6.206 2.929 1.00 73.24 H new ATOM 0 HB VAL A 32 -11.352 6.062 0.561 1.00 51.11 H new ATOM 0 HG11 VAL A 32 -11.167 3.608 0.369 1.00 13.43 H new ATOM 0 HG12 VAL A 32 -10.806 4.176 2.017 1.00 13.43 H new ATOM 0 HG13 VAL A 32 -12.378 3.423 1.659 1.00 13.43 H new ATOM 0 HG21 VAL A 32 -12.744 4.848 -1.069 1.00 20.30 H new ATOM 0 HG22 VAL A 32 -14.043 4.726 0.141 1.00 20.30 H new ATOM 0 HG23 VAL A 32 -13.545 6.321 -0.472 1.00 20.30 H new ATOM 518 N PRO A 33 -12.466 8.552 1.917 1.00 43.13 N ATOM 519 CA PRO A 33 -12.863 9.923 1.558 1.00 23.33 C ATOM 520 C PRO A 33 -13.197 10.061 0.063 1.00 5.31 C ATOM 521 O PRO A 33 -12.340 9.830 -0.792 1.00 62.22 O ATOM 522 CB PRO A 33 -11.630 10.772 1.915 1.00 24.50 C ATOM 523 CG PRO A 33 -10.823 9.916 2.835 1.00 61.01 C ATOM 524 CD PRO A 33 -11.080 8.498 2.408 1.00 2.42 C ATOM 0 HA PRO A 33 -13.767 10.230 2.083 1.00 23.33 H new ATOM 0 HB2 PRO A 33 -11.062 11.037 1.023 1.00 24.50 H new ATOM 0 HB3 PRO A 33 -11.920 11.705 2.397 1.00 24.50 H new ATOM 0 HG2 PRO A 33 -9.763 10.159 2.765 1.00 61.01 H new ATOM 0 HG3 PRO A 33 -11.118 10.071 3.873 1.00 61.01 H new ATOM 0 HD2 PRO A 33 -10.387 8.178 1.630 1.00 2.42 H new ATOM 0 HD3 PRO A 33 -10.972 7.800 3.238 1.00 2.42 H new ATOM 532 N ALA A 34 -14.439 10.448 -0.239 1.00 61.14 N ATOM 533 CA ALA A 34 -14.904 10.593 -1.630 1.00 22.32 C ATOM 534 C ALA A 34 -13.923 11.402 -2.495 1.00 10.20 C ATOM 535 O ALA A 34 -13.732 11.107 -3.676 1.00 75.12 O ATOM 536 CB ALA A 34 -16.284 11.242 -1.649 1.00 3.43 C ATOM 0 H ALA A 34 -15.147 10.669 0.461 1.00 61.14 H new ATOM 0 HA ALA A 34 -14.961 9.594 -2.062 1.00 22.32 H new ATOM 0 HB1 ALA A 34 -16.623 11.347 -2.680 1.00 3.43 H new ATOM 0 HB2 ALA A 34 -16.987 10.618 -1.098 1.00 3.43 H new ATOM 0 HB3 ALA A 34 -16.230 12.226 -1.183 1.00 3.43 H new ATOM 542 N ASN A 35 -13.300 12.410 -1.890 1.00 45.33 N ATOM 543 CA ASN A 35 -12.324 13.259 -2.584 1.00 74.12 C ATOM 544 C ASN A 35 -11.072 12.465 -3.003 1.00 2.12 C ATOM 545 O ASN A 35 -10.548 12.641 -4.104 1.00 52.01 O ATOM 546 CB ASN A 35 -11.906 14.430 -1.681 1.00 55.30 C ATOM 547 CG ASN A 35 -13.085 15.263 -1.201 1.00 70.44 C ATOM 548 OD1 ASN A 35 -14.179 14.753 -0.982 1.00 74.11 O ATOM 549 ND2 ASN A 35 -12.872 16.554 -1.026 1.00 4.41 N ATOM 0 H ASN A 35 -13.452 12.663 -0.914 1.00 45.33 H new ATOM 0 HA ASN A 35 -12.804 13.638 -3.486 1.00 74.12 H new ATOM 0 HB2 ASN A 35 -11.368 14.041 -0.817 1.00 55.30 H new ATOM 0 HB3 ASN A 35 -11.213 15.072 -2.225 1.00 55.30 H new ATOM 0 HD21 ASN A 35 -13.628 17.156 -0.700 1.00 4.41 H new ATOM 0 HD22 ASN A 35 -11.951 16.949 -1.216 1.00 4.41 H new ATOM 556 N THR A 36 -10.604 11.587 -2.119 1.00 52.40 N ATOM 557 CA THR A 36 -9.364 10.829 -2.351 1.00 52.40 C ATOM 558 C THR A 36 -9.644 9.451 -2.965 1.00 42.30 C ATOM 559 O THR A 36 -10.314 8.613 -2.358 1.00 4.55 O ATOM 560 CB THR A 36 -8.563 10.636 -1.035 1.00 44.13 C ATOM 561 OG1 THR A 36 -8.260 11.909 -0.446 1.00 12.15 O ATOM 562 CG2 THR A 36 -7.261 9.872 -1.281 1.00 63.01 C ATOM 0 H THR A 36 -11.062 11.378 -1.232 1.00 52.40 H new ATOM 0 HA THR A 36 -8.773 11.418 -3.053 1.00 52.40 H new ATOM 0 HB THR A 36 -9.185 10.054 -0.355 1.00 44.13 H new ATOM 0 HG1 THR A 36 -7.756 11.774 0.384 1.00 12.15 H new ATOM 0 HG21 THR A 36 -6.725 9.754 -0.339 1.00 63.01 H new ATOM 0 HG22 THR A 36 -7.488 8.889 -1.694 1.00 63.01 H new ATOM 0 HG23 THR A 36 -6.641 10.427 -1.985 1.00 63.01 H new ATOM 570 N SER A 37 -9.127 9.220 -4.172 1.00 53.11 N ATOM 571 CA SER A 37 -9.244 7.911 -4.834 1.00 42.13 C ATOM 572 C SER A 37 -8.594 6.801 -3.992 1.00 64.12 C ATOM 573 O SER A 37 -7.602 7.041 -3.302 1.00 42.11 O ATOM 574 CB SER A 37 -8.581 7.956 -6.219 1.00 14.43 C ATOM 575 OG SER A 37 -9.076 9.039 -6.990 1.00 14.12 O ATOM 0 H SER A 37 -8.622 9.920 -4.715 1.00 53.11 H new ATOM 0 HA SER A 37 -10.305 7.687 -4.943 1.00 42.13 H new ATOM 0 HB2 SER A 37 -7.501 8.051 -6.105 1.00 14.43 H new ATOM 0 HB3 SER A 37 -8.765 7.019 -6.744 1.00 14.43 H new ATOM 0 HG SER A 37 -8.636 9.045 -7.866 1.00 14.12 H new ATOM 581 N MET A 38 -9.141 5.585 -4.068 1.00 62.53 N ATOM 582 CA MET A 38 -8.634 4.449 -3.282 1.00 3.43 C ATOM 583 C MET A 38 -7.132 4.223 -3.520 1.00 25.32 C ATOM 584 O MET A 38 -6.364 4.044 -2.572 1.00 23.14 O ATOM 585 CB MET A 38 -9.408 3.167 -3.621 1.00 13.44 C ATOM 586 CG MET A 38 -10.912 3.271 -3.396 1.00 53.42 C ATOM 587 SD MET A 38 -11.769 1.715 -3.708 1.00 30.13 S ATOM 588 CE MET A 38 -11.329 1.405 -5.418 1.00 13.52 C ATOM 0 H MET A 38 -9.936 5.358 -4.666 1.00 62.53 H new ATOM 0 HA MET A 38 -8.782 4.692 -2.230 1.00 3.43 H new ATOM 0 HB2 MET A 38 -9.224 2.909 -4.664 1.00 13.44 H new ATOM 0 HB3 MET A 38 -9.017 2.348 -3.017 1.00 13.44 H new ATOM 0 HG2 MET A 38 -11.101 3.586 -2.370 1.00 53.42 H new ATOM 0 HG3 MET A 38 -11.321 4.044 -4.047 1.00 53.42 H new ATOM 0 HE1 MET A 38 -12.008 0.664 -5.840 1.00 13.52 H new ATOM 0 HE2 MET A 38 -11.405 2.332 -5.987 1.00 13.52 H new ATOM 0 HE3 MET A 38 -10.306 1.031 -5.469 1.00 13.52 H new ATOM 598 N SER A 39 -6.718 4.264 -4.787 1.00 41.32 N ATOM 599 CA SER A 39 -5.305 4.070 -5.162 1.00 13.31 C ATOM 600 C SER A 39 -4.389 5.119 -4.509 1.00 50.31 C ATOM 601 O SER A 39 -3.198 4.886 -4.312 1.00 22.44 O ATOM 602 CB SER A 39 -5.147 4.115 -6.690 1.00 61.22 C ATOM 603 OG SER A 39 -5.667 5.321 -7.232 1.00 53.11 O ATOM 0 H SER A 39 -7.339 4.430 -5.579 1.00 41.32 H new ATOM 0 HA SER A 39 -5.003 3.089 -4.795 1.00 13.31 H new ATOM 0 HB2 SER A 39 -4.093 4.023 -6.951 1.00 61.22 H new ATOM 0 HB3 SER A 39 -5.661 3.263 -7.135 1.00 61.22 H new ATOM 0 HG SER A 39 -5.550 5.320 -8.205 1.00 53.11 H new ATOM 609 N ALA A 40 -4.952 6.278 -4.178 1.00 41.55 N ATOM 610 CA ALA A 40 -4.209 7.332 -3.478 1.00 41.33 C ATOM 611 C ALA A 40 -4.393 7.222 -1.955 1.00 73.34 C ATOM 612 O ALA A 40 -3.542 7.664 -1.181 1.00 65.30 O ATOM 613 CB ALA A 40 -4.657 8.705 -3.972 1.00 71.14 C ATOM 0 H ALA A 40 -5.923 6.515 -4.382 1.00 41.55 H new ATOM 0 HA ALA A 40 -3.149 7.206 -3.697 1.00 41.33 H new ATOM 0 HB1 ALA A 40 -4.100 9.480 -3.446 1.00 71.14 H new ATOM 0 HB2 ALA A 40 -4.469 8.786 -5.043 1.00 71.14 H new ATOM 0 HB3 ALA A 40 -5.723 8.831 -3.780 1.00 71.14 H new ATOM 619 N TYR A 41 -5.509 6.624 -1.538 1.00 23.22 N ATOM 620 CA TYR A 41 -5.828 6.457 -0.115 1.00 23.30 C ATOM 621 C TYR A 41 -4.923 5.408 0.551 1.00 21.11 C ATOM 622 O TYR A 41 -4.552 5.545 1.717 1.00 45.41 O ATOM 623 CB TYR A 41 -7.308 6.068 0.049 1.00 73.35 C ATOM 624 CG TYR A 41 -7.739 5.826 1.489 1.00 25.42 C ATOM 625 CD1 TYR A 41 -7.840 6.879 2.393 1.00 5.10 C ATOM 626 CD2 TYR A 41 -8.040 4.545 1.943 1.00 64.50 C ATOM 627 CE1 TYR A 41 -8.228 6.662 3.702 1.00 12.05 C ATOM 628 CE2 TYR A 41 -8.428 4.324 3.251 1.00 74.41 C ATOM 629 CZ TYR A 41 -8.519 5.385 4.126 1.00 74.32 C ATOM 630 OH TYR A 41 -8.901 5.165 5.429 1.00 24.52 O ATOM 0 H TYR A 41 -6.214 6.243 -2.169 1.00 23.22 H new ATOM 0 HA TYR A 41 -5.648 7.410 0.383 1.00 23.30 H new ATOM 0 HB2 TYR A 41 -7.928 6.858 -0.375 1.00 73.35 H new ATOM 0 HB3 TYR A 41 -7.500 5.166 -0.532 1.00 73.35 H new ATOM 0 HD1 TYR A 41 -7.611 7.883 2.066 1.00 5.10 H new ATOM 0 HD2 TYR A 41 -7.969 3.710 1.262 1.00 64.50 H new ATOM 0 HE1 TYR A 41 -8.303 7.491 4.390 1.00 12.05 H new ATOM 0 HE2 TYR A 41 -8.659 3.324 3.586 1.00 74.41 H new ATOM 0 HH TYR A 41 -9.071 4.209 5.563 1.00 24.52 H new ATOM 640 N ILE A 42 -4.570 4.364 -0.199 1.00 61.52 N ATOM 641 CA ILE A 42 -3.673 3.313 0.305 1.00 14.15 C ATOM 642 C ILE A 42 -2.361 3.904 0.853 1.00 60.04 C ATOM 643 O ILE A 42 -1.802 3.400 1.831 1.00 3.22 O ATOM 644 CB ILE A 42 -3.347 2.271 -0.800 1.00 33.44 C ATOM 645 CG1 ILE A 42 -4.638 1.616 -1.328 1.00 71.04 C ATOM 646 CG2 ILE A 42 -2.381 1.203 -0.278 1.00 51.44 C ATOM 647 CD1 ILE A 42 -5.438 0.882 -0.268 1.00 33.40 C ATOM 0 H ILE A 42 -4.889 4.220 -1.157 1.00 61.52 H new ATOM 0 HA ILE A 42 -4.200 2.815 1.119 1.00 14.15 H new ATOM 0 HB ILE A 42 -2.863 2.795 -1.624 1.00 33.44 H new ATOM 0 HG12 ILE A 42 -5.267 2.386 -1.774 1.00 71.04 H new ATOM 0 HG13 ILE A 42 -4.379 0.916 -2.122 1.00 71.04 H new ATOM 0 HG21 ILE A 42 -2.169 0.486 -1.071 1.00 51.44 H new ATOM 0 HG22 ILE A 42 -1.453 1.677 0.041 1.00 51.44 H new ATOM 0 HG23 ILE A 42 -2.833 0.686 0.568 1.00 51.44 H new ATOM 0 HD11 ILE A 42 -6.331 0.450 -0.720 1.00 33.40 H new ATOM 0 HD12 ILE A 42 -4.828 0.088 0.163 1.00 33.40 H new ATOM 0 HD13 ILE A 42 -5.730 1.581 0.516 1.00 33.40 H new ATOM 659 N ARG A 43 -1.890 4.984 0.230 1.00 61.43 N ATOM 660 CA ARG A 43 -0.665 5.660 0.669 1.00 32.15 C ATOM 661 C ARG A 43 -0.751 6.101 2.142 1.00 22.21 C ATOM 662 O ARG A 43 0.019 5.638 2.976 1.00 31.30 O ATOM 663 CB ARG A 43 -0.380 6.881 -0.216 1.00 40.23 C ATOM 664 CG ARG A 43 0.820 7.703 0.250 1.00 61.20 C ATOM 665 CD ARG A 43 0.932 9.026 -0.496 1.00 23.02 C ATOM 666 NE ARG A 43 1.245 8.846 -1.909 1.00 15.23 N ATOM 667 CZ ARG A 43 0.936 9.707 -2.840 1.00 50.23 C ATOM 668 NH1 ARG A 43 0.257 10.771 -2.556 1.00 72.14 N ATOM 669 NH2 ARG A 43 1.309 9.501 -4.056 1.00 2.34 N ATOM 0 H ARG A 43 -2.337 5.411 -0.581 1.00 61.43 H new ATOM 0 HA ARG A 43 0.150 4.942 0.576 1.00 32.15 H new ATOM 0 HB2 ARG A 43 -0.206 6.546 -1.239 1.00 40.23 H new ATOM 0 HB3 ARG A 43 -1.263 7.520 -0.235 1.00 40.23 H new ATOM 0 HG2 ARG A 43 0.733 7.896 1.319 1.00 61.20 H new ATOM 0 HG3 ARG A 43 1.733 7.126 0.103 1.00 61.20 H new ATOM 0 HD2 ARG A 43 -0.006 9.573 -0.402 1.00 23.02 H new ATOM 0 HD3 ARG A 43 1.705 9.637 -0.031 1.00 23.02 H new ATOM 0 HE ARG A 43 1.735 7.996 -2.187 1.00 15.23 H new ATOM 0 HH11 ARG A 43 -0.042 10.944 -1.596 1.00 72.14 H new ATOM 0 HH12 ARG A 43 0.021 11.437 -3.292 1.00 72.14 H new ATOM 0 HH21 ARG A 43 1.845 8.666 -4.290 1.00 2.34 H new ATOM 0 HH22 ARG A 43 1.068 10.173 -4.784 1.00 2.34 H new ATOM 683 N ARG A 44 -1.696 6.992 2.459 1.00 44.30 N ATOM 684 CA ARG A 44 -1.833 7.522 3.829 1.00 12.25 C ATOM 685 C ARG A 44 -2.090 6.413 4.867 1.00 1.44 C ATOM 686 O ARG A 44 -1.949 6.637 6.068 1.00 70.54 O ATOM 687 CB ARG A 44 -2.940 8.587 3.900 1.00 3.24 C ATOM 688 CG ARG A 44 -4.322 8.087 3.498 1.00 64.34 C ATOM 689 CD ARG A 44 -5.384 9.177 3.633 1.00 3.21 C ATOM 690 NE ARG A 44 -5.556 9.616 5.019 1.00 32.40 N ATOM 691 CZ ARG A 44 -6.708 9.925 5.554 1.00 23.52 C ATOM 692 NH1 ARG A 44 -7.793 9.914 4.850 1.00 3.14 N ATOM 693 NH2 ARG A 44 -6.773 10.277 6.795 1.00 71.25 N ATOM 0 H ARG A 44 -2.375 7.362 1.794 1.00 44.30 H new ATOM 0 HA ARG A 44 -0.879 7.986 4.080 1.00 12.25 H new ATOM 0 HB2 ARG A 44 -2.989 8.975 4.917 1.00 3.24 H new ATOM 0 HB3 ARG A 44 -2.667 9.421 3.254 1.00 3.24 H new ATOM 0 HG2 ARG A 44 -4.294 7.733 2.468 1.00 64.34 H new ATOM 0 HG3 ARG A 44 -4.595 7.235 4.121 1.00 64.34 H new ATOM 0 HD2 ARG A 44 -5.106 10.031 3.016 1.00 3.21 H new ATOM 0 HD3 ARG A 44 -6.335 8.804 3.252 1.00 3.21 H new ATOM 0 HE ARG A 44 -4.724 9.685 5.605 1.00 32.40 H new ATOM 0 HH11 ARG A 44 -7.758 9.662 3.862 1.00 3.14 H new ATOM 0 HH12 ARG A 44 -8.684 10.158 5.282 1.00 3.14 H new ATOM 0 HH21 ARG A 44 -5.924 10.314 7.360 1.00 71.25 H new ATOM 0 HH22 ARG A 44 -7.673 10.518 7.210 1.00 71.25 H new ATOM 707 N ILE A 45 -2.469 5.224 4.404 1.00 24.42 N ATOM 708 CA ILE A 45 -2.595 4.058 5.284 1.00 54.44 C ATOM 709 C ILE A 45 -1.210 3.546 5.711 1.00 73.54 C ATOM 710 O ILE A 45 -0.869 3.540 6.894 1.00 24.02 O ATOM 711 CB ILE A 45 -3.362 2.898 4.593 1.00 70.40 C ATOM 712 CG1 ILE A 45 -4.810 3.309 4.282 1.00 64.52 C ATOM 713 CG2 ILE A 45 -3.337 1.637 5.460 1.00 21.54 C ATOM 714 CD1 ILE A 45 -5.614 2.228 3.586 1.00 51.30 C ATOM 0 H ILE A 45 -2.695 5.040 3.426 1.00 24.42 H new ATOM 0 HA ILE A 45 -3.157 4.383 6.159 1.00 54.44 H new ATOM 0 HB ILE A 45 -2.860 2.676 3.651 1.00 70.40 H new ATOM 0 HG12 ILE A 45 -5.310 3.579 5.212 1.00 64.52 H new ATOM 0 HG13 ILE A 45 -4.799 4.201 3.656 1.00 64.52 H new ATOM 0 HG21 ILE A 45 -3.880 0.838 4.956 1.00 21.54 H new ATOM 0 HG22 ILE A 45 -2.305 1.327 5.622 1.00 21.54 H new ATOM 0 HG23 ILE A 45 -3.808 1.846 6.420 1.00 21.54 H new ATOM 0 HD11 ILE A 45 -6.625 2.590 3.399 1.00 51.30 H new ATOM 0 HD12 ILE A 45 -5.138 1.974 2.639 1.00 51.30 H new ATOM 0 HD13 ILE A 45 -5.657 1.342 4.219 1.00 51.30 H new ATOM 726 N ILE A 46 -0.410 3.138 4.728 1.00 11.03 N ATOM 727 CA ILE A 46 0.894 2.526 4.998 1.00 2.52 C ATOM 728 C ILE A 46 1.973 3.564 5.354 1.00 53.42 C ATOM 729 O ILE A 46 2.765 3.337 6.267 1.00 2.33 O ATOM 730 CB ILE A 46 1.362 1.658 3.801 1.00 12.11 C ATOM 731 CG1 ILE A 46 1.346 2.473 2.495 1.00 60.14 C ATOM 732 CG2 ILE A 46 0.485 0.413 3.675 1.00 52.54 C ATOM 733 CD1 ILE A 46 1.683 1.664 1.259 1.00 24.11 C ATOM 0 H ILE A 46 -0.639 3.219 3.737 1.00 11.03 H new ATOM 0 HA ILE A 46 0.758 1.886 5.870 1.00 2.52 H new ATOM 0 HB ILE A 46 2.388 1.340 3.985 1.00 12.11 H new ATOM 0 HG12 ILE A 46 0.359 2.917 2.368 1.00 60.14 H new ATOM 0 HG13 ILE A 46 2.056 3.295 2.583 1.00 60.14 H new ATOM 0 HG21 ILE A 46 0.824 -0.187 2.831 1.00 52.54 H new ATOM 0 HG22 ILE A 46 0.555 -0.175 4.590 1.00 52.54 H new ATOM 0 HG23 ILE A 46 -0.551 0.712 3.514 1.00 52.54 H new ATOM 0 HD11 ILE A 46 1.650 2.310 0.381 1.00 24.11 H new ATOM 0 HD12 ILE A 46 2.683 1.242 1.362 1.00 24.11 H new ATOM 0 HD13 ILE A 46 0.959 0.858 1.143 1.00 24.11 H new ATOM 745 N LEU A 47 1.980 4.701 4.655 1.00 51.43 N ATOM 746 CA LEU A 47 2.975 5.771 4.877 1.00 74.55 C ATOM 747 C LEU A 47 3.214 6.055 6.368 1.00 72.51 C ATOM 748 O LEU A 47 4.340 5.926 6.866 1.00 34.40 O ATOM 749 CB LEU A 47 2.529 7.064 4.169 1.00 10.13 C ATOM 750 CG LEU A 47 3.416 8.300 4.419 1.00 74.54 C ATOM 751 CD1 LEU A 47 4.828 8.078 3.881 1.00 34.24 C ATOM 752 CD2 LEU A 47 2.785 9.548 3.799 1.00 31.32 C ATOM 0 H LEU A 47 1.303 4.913 3.922 1.00 51.43 H new ATOM 0 HA LEU A 47 3.917 5.420 4.456 1.00 74.55 H new ATOM 0 HB2 LEU A 47 2.493 6.876 3.096 1.00 10.13 H new ATOM 0 HB3 LEU A 47 1.513 7.298 4.486 1.00 10.13 H new ATOM 0 HG LEU A 47 3.490 8.454 5.496 1.00 74.54 H new ATOM 0 HD11 LEU A 47 5.433 8.965 4.070 1.00 34.24 H new ATOM 0 HD12 LEU A 47 5.277 7.219 4.380 1.00 34.24 H new ATOM 0 HD13 LEU A 47 4.783 7.891 2.808 1.00 34.24 H new ATOM 0 HD21 LEU A 47 3.425 10.410 3.986 1.00 31.32 H new ATOM 0 HD22 LEU A 47 2.674 9.404 2.724 1.00 31.32 H new ATOM 0 HD23 LEU A 47 1.805 9.720 4.245 1.00 31.32 H new ATOM 764 N ASN A 48 2.152 6.429 7.082 1.00 24.24 N ATOM 765 CA ASN A 48 2.262 6.751 8.509 1.00 73.55 C ATOM 766 C ASN A 48 2.800 5.560 9.322 1.00 50.24 C ATOM 767 O ASN A 48 3.411 5.747 10.372 1.00 3.42 O ATOM 768 CB ASN A 48 0.909 7.201 9.072 1.00 3.54 C ATOM 769 CG ASN A 48 0.409 8.481 8.426 1.00 34.44 C ATOM 770 OD1 ASN A 48 0.754 9.581 8.845 1.00 3.01 O ATOM 771 ND2 ASN A 48 -0.420 8.356 7.412 1.00 44.22 N ATOM 0 H ASN A 48 1.210 6.517 6.700 1.00 24.24 H new ATOM 0 HA ASN A 48 2.974 7.571 8.600 1.00 73.55 H new ATOM 0 HB2 ASN A 48 0.174 6.410 8.920 1.00 3.54 H new ATOM 0 HB3 ASN A 48 0.998 7.351 10.148 1.00 3.54 H new ATOM 0 HD21 ASN A 48 -0.793 9.187 6.953 1.00 44.22 H new ATOM 0 HD22 ASN A 48 -0.689 7.428 7.085 1.00 44.22 H new ATOM 778 N HIS A 49 2.586 4.341 8.820 1.00 44.22 N ATOM 779 CA HIS A 49 3.036 3.127 9.510 1.00 62.12 C ATOM 780 C HIS A 49 4.480 2.750 9.120 1.00 13.32 C ATOM 781 O HIS A 49 5.192 2.121 9.903 1.00 51.43 O ATOM 782 CB HIS A 49 2.074 1.967 9.219 1.00 20.31 C ATOM 783 CG HIS A 49 2.299 0.745 10.066 1.00 64.31 C ATOM 784 ND1 HIS A 49 2.951 0.769 11.288 1.00 0.32 N ATOM 785 CD2 HIS A 49 1.928 -0.544 9.875 1.00 50.51 C ATOM 786 CE1 HIS A 49 2.974 -0.446 11.796 1.00 63.53 C ATOM 787 NE2 HIS A 49 2.359 -1.260 10.964 1.00 23.34 N ATOM 0 H HIS A 49 2.104 4.167 7.938 1.00 44.22 H new ATOM 0 HA HIS A 49 3.033 3.330 10.581 1.00 62.12 H new ATOM 0 HB2 HIS A 49 1.051 2.313 9.367 1.00 20.31 H new ATOM 0 HB3 HIS A 49 2.167 1.689 8.169 1.00 20.31 H new ATOM 0 HD1 HIS A 49 3.351 1.599 11.726 1.00 0.32 H new ATOM 0 HD2 HIS A 49 1.392 -0.936 9.023 1.00 50.51 H new ATOM 0 HE1 HIS A 49 3.422 -0.727 12.737 1.00 63.53 H new ATOM 796 N LEU A 50 4.911 3.137 7.918 1.00 10.45 N ATOM 797 CA LEU A 50 6.297 2.909 7.477 1.00 44.42 C ATOM 798 C LEU A 50 7.282 3.769 8.282 1.00 45.43 C ATOM 799 O LEU A 50 8.298 3.271 8.771 1.00 32.41 O ATOM 800 CB LEU A 50 6.447 3.185 5.966 1.00 72.13 C ATOM 801 CG LEU A 50 6.280 1.959 5.045 1.00 63.44 C ATOM 802 CD1 LEU A 50 7.378 0.930 5.307 1.00 12.30 C ATOM 803 CD2 LEU A 50 4.900 1.326 5.218 1.00 35.14 C ATOM 0 H LEU A 50 4.325 3.610 7.230 1.00 10.45 H new ATOM 0 HA LEU A 50 6.535 1.861 7.659 1.00 44.42 H new ATOM 0 HB2 LEU A 50 5.712 3.937 5.677 1.00 72.13 H new ATOM 0 HB3 LEU A 50 7.432 3.618 5.790 1.00 72.13 H new ATOM 0 HG LEU A 50 6.369 2.302 4.014 1.00 63.44 H new ATOM 0 HD11 LEU A 50 7.240 0.074 4.646 1.00 12.30 H new ATOM 0 HD12 LEU A 50 8.352 1.381 5.118 1.00 12.30 H new ATOM 0 HD13 LEU A 50 7.327 0.599 6.344 1.00 12.30 H new ATOM 0 HD21 LEU A 50 4.810 0.464 4.557 1.00 35.14 H new ATOM 0 HD22 LEU A 50 4.774 1.005 6.252 1.00 35.14 H new ATOM 0 HD23 LEU A 50 4.131 2.057 4.969 1.00 35.14 H new ATOM 815 N GLU A 51 6.978 5.060 8.418 1.00 32.50 N ATOM 816 CA GLU A 51 7.784 5.961 9.257 1.00 21.34 C ATOM 817 C GLU A 51 7.521 5.710 10.755 1.00 40.51 C ATOM 818 O GLU A 51 8.268 6.173 11.617 1.00 42.41 O ATOM 819 CB GLU A 51 7.506 7.429 8.891 1.00 23.22 C ATOM 820 CG GLU A 51 6.028 7.803 8.895 1.00 50.44 C ATOM 821 CD GLU A 51 5.787 9.261 8.539 1.00 75.22 C ATOM 822 OE1 GLU A 51 6.198 9.687 7.438 1.00 21.50 O ATOM 823 OE2 GLU A 51 5.176 9.987 9.356 1.00 14.53 O ATOM 0 H GLU A 51 6.184 5.508 7.962 1.00 32.50 H new ATOM 0 HA GLU A 51 8.836 5.751 9.065 1.00 21.34 H new ATOM 0 HB2 GLU A 51 8.035 8.074 9.593 1.00 23.22 H new ATOM 0 HB3 GLU A 51 7.918 7.630 7.902 1.00 23.22 H new ATOM 0 HG2 GLU A 51 5.496 7.168 8.187 1.00 50.44 H new ATOM 0 HG3 GLU A 51 5.610 7.601 9.881 1.00 50.44 H new ATOM 830 N ASP A 52 6.453 4.973 11.048 1.00 51.32 N ATOM 831 CA ASP A 52 6.155 4.526 12.410 1.00 53.45 C ATOM 832 C ASP A 52 7.151 3.441 12.868 1.00 55.33 C ATOM 833 O ASP A 52 7.761 3.551 13.935 1.00 0.35 O ATOM 834 CB ASP A 52 4.709 4.006 12.454 1.00 10.01 C ATOM 835 CG ASP A 52 4.384 3.180 13.686 1.00 1.22 C ATOM 836 OD1 ASP A 52 4.104 3.768 14.752 1.00 25.24 O ATOM 837 OD2 ASP A 52 4.370 1.938 13.579 1.00 3.11 O ATOM 0 H ASP A 52 5.771 4.669 10.353 1.00 51.32 H new ATOM 0 HA ASP A 52 6.259 5.365 13.099 1.00 53.45 H new ATOM 0 HB2 ASP A 52 4.027 4.855 12.409 1.00 10.01 H new ATOM 0 HB3 ASP A 52 4.524 3.402 11.566 1.00 10.01 H new ATOM 1022 N ASP B 212 -5.785 -14.503 -6.178 1.00 53.33 N ATOM 1023 CA ASP B 212 -7.157 -14.361 -5.687 1.00 24.30 C ATOM 1024 C ASP B 212 -7.404 -12.965 -5.081 1.00 72.44 C ATOM 1025 O ASP B 212 -8.247 -12.790 -4.196 1.00 23.32 O ATOM 1026 CB ASP B 212 -7.386 -15.453 -4.636 1.00 65.05 C ATOM 1027 CG ASP B 212 -6.591 -16.716 -4.954 1.00 42.35 C ATOM 1028 OD1 ASP B 212 -5.381 -16.749 -4.633 1.00 42.30 O ATOM 1029 OD2 ASP B 212 -7.155 -17.656 -5.549 1.00 22.53 O ATOM 0 HA ASP B 212 -7.857 -14.468 -6.516 1.00 24.30 H new ATOM 0 HB2 ASP B 212 -7.098 -15.079 -3.654 1.00 65.05 H new ATOM 0 HB3 ASP B 212 -8.448 -15.694 -4.587 1.00 65.05 H new ATOM 1034 N THR B 213 -6.669 -11.974 -5.580 1.00 43.21 N ATOM 1035 CA THR B 213 -6.729 -10.602 -5.059 1.00 4.51 C ATOM 1036 C THR B 213 -6.809 -9.566 -6.190 1.00 13.11 C ATOM 1037 O THR B 213 -6.473 -9.858 -7.338 1.00 31.35 O ATOM 1038 CB THR B 213 -5.492 -10.284 -4.184 1.00 14.53 C ATOM 1039 OG1 THR B 213 -4.289 -10.568 -4.915 1.00 2.34 O ATOM 1040 CG2 THR B 213 -5.503 -11.085 -2.888 1.00 75.20 C ATOM 0 H THR B 213 -6.016 -12.094 -6.354 1.00 43.21 H new ATOM 0 HA THR B 213 -7.634 -10.540 -4.455 1.00 4.51 H new ATOM 0 HB THR B 213 -5.528 -9.225 -3.929 1.00 14.53 H new ATOM 0 HG1 THR B 213 -3.519 -10.517 -4.311 1.00 2.34 H new ATOM 0 HG21 THR B 213 -4.620 -10.836 -2.299 1.00 75.20 H new ATOM 0 HG22 THR B 213 -6.400 -10.842 -2.318 1.00 75.20 H new ATOM 0 HG23 THR B 213 -5.497 -12.150 -3.119 1.00 75.20 H new ATOM 1048 N LYS B 214 -7.253 -8.354 -5.860 1.00 22.20 N ATOM 1049 CA LYS B 214 -7.373 -7.273 -6.846 1.00 52.33 C ATOM 1050 C LYS B 214 -6.114 -6.385 -6.856 1.00 13.53 C ATOM 1051 O LYS B 214 -5.668 -5.916 -5.805 1.00 35.21 O ATOM 1052 CB LYS B 214 -8.612 -6.412 -6.549 1.00 52.00 C ATOM 1053 CG LYS B 214 -9.924 -7.193 -6.507 1.00 52.41 C ATOM 1054 CD LYS B 214 -10.249 -7.869 -7.840 1.00 34.43 C ATOM 1055 CE LYS B 214 -10.478 -6.853 -8.956 1.00 50.44 C ATOM 1056 NZ LYS B 214 -10.816 -7.511 -10.245 1.00 23.23 N ATOM 0 H LYS B 214 -7.537 -8.092 -4.916 1.00 22.20 H new ATOM 0 HA LYS B 214 -7.480 -7.731 -7.829 1.00 52.33 H new ATOM 0 HB2 LYS B 214 -8.470 -5.910 -5.592 1.00 52.00 H new ATOM 0 HB3 LYS B 214 -8.690 -5.634 -7.308 1.00 52.00 H new ATOM 0 HG2 LYS B 214 -9.867 -7.950 -5.724 1.00 52.41 H new ATOM 0 HG3 LYS B 214 -10.736 -6.517 -6.239 1.00 52.41 H new ATOM 0 HD2 LYS B 214 -9.432 -8.534 -8.118 1.00 34.43 H new ATOM 0 HD3 LYS B 214 -11.139 -8.488 -7.725 1.00 34.43 H new ATOM 0 HE2 LYS B 214 -11.284 -6.177 -8.671 1.00 50.44 H new ATOM 0 HE3 LYS B 214 -9.582 -6.245 -9.083 1.00 50.44 H new ATOM 0 HZ1 LYS B 214 -10.964 -6.787 -10.976 1.00 23.23 H new ATOM 0 HZ2 LYS B 214 -10.036 -8.137 -10.530 1.00 23.23 H new ATOM 0 HZ3 LYS B 214 -11.685 -8.071 -10.132 1.00 23.23 H new ATOM 1070 N PRO B 215 -5.522 -6.144 -8.044 1.00 74.33 N ATOM 1071 CA PRO B 215 -4.324 -5.296 -8.178 1.00 55.11 C ATOM 1072 C PRO B 215 -4.637 -3.787 -8.083 1.00 21.25 C ATOM 1073 O PRO B 215 -5.373 -3.234 -8.905 1.00 1.33 O ATOM 1074 CB PRO B 215 -3.804 -5.660 -9.574 1.00 62.31 C ATOM 1075 CG PRO B 215 -5.023 -6.051 -10.344 1.00 40.13 C ATOM 1076 CD PRO B 215 -5.963 -6.688 -9.349 1.00 3.15 C ATOM 0 HA PRO B 215 -3.608 -5.470 -7.375 1.00 55.11 H new ATOM 0 HB2 PRO B 215 -3.296 -4.816 -10.040 1.00 62.31 H new ATOM 0 HB3 PRO B 215 -3.086 -6.478 -9.528 1.00 62.31 H new ATOM 0 HG2 PRO B 215 -5.483 -5.181 -10.813 1.00 40.13 H new ATOM 0 HG3 PRO B 215 -4.772 -6.748 -11.143 1.00 40.13 H new ATOM 0 HD2 PRO B 215 -7.001 -6.431 -9.559 1.00 3.15 H new ATOM 0 HD3 PRO B 215 -5.893 -7.775 -9.373 1.00 3.15 H new ATOM 1084 N VAL B 216 -4.074 -3.129 -7.070 1.00 24.24 N ATOM 1085 CA VAL B 216 -4.266 -1.688 -6.861 1.00 10.31 C ATOM 1086 C VAL B 216 -2.957 -0.915 -7.104 1.00 20.40 C ATOM 1087 O VAL B 216 -1.939 -1.176 -6.459 1.00 4.20 O ATOM 1088 CB VAL B 216 -4.771 -1.395 -5.425 1.00 72.25 C ATOM 1089 CG1 VAL B 216 -4.995 0.105 -5.213 1.00 33.24 C ATOM 1090 CG2 VAL B 216 -6.046 -2.191 -5.129 1.00 4.45 C ATOM 0 H VAL B 216 -3.475 -3.573 -6.374 1.00 24.24 H new ATOM 0 HA VAL B 216 -5.017 -1.356 -7.578 1.00 10.31 H new ATOM 0 HB VAL B 216 -4.001 -1.715 -4.723 1.00 72.25 H new ATOM 0 HG11 VAL B 216 -5.349 0.280 -4.197 1.00 33.24 H new ATOM 0 HG12 VAL B 216 -4.057 0.638 -5.367 1.00 33.24 H new ATOM 0 HG13 VAL B 216 -5.739 0.466 -5.924 1.00 33.24 H new ATOM 0 HG21 VAL B 216 -6.385 -1.972 -4.116 1.00 4.45 H new ATOM 0 HG22 VAL B 216 -6.823 -1.911 -5.840 1.00 4.45 H new ATOM 0 HG23 VAL B 216 -5.838 -3.257 -5.219 1.00 4.45 H new ATOM 1100 N VAL B 217 -2.986 0.032 -8.039 1.00 44.12 N ATOM 1101 CA VAL B 217 -1.803 0.842 -8.359 1.00 21.41 C ATOM 1102 C VAL B 217 -1.690 2.073 -7.439 1.00 55.22 C ATOM 1103 O VAL B 217 -2.371 3.080 -7.629 1.00 71.44 O ATOM 1104 CB VAL B 217 -1.812 1.276 -9.852 1.00 44.15 C ATOM 1105 CG1 VAL B 217 -3.118 1.986 -10.225 1.00 53.44 C ATOM 1106 CG2 VAL B 217 -0.598 2.149 -10.172 1.00 65.11 C ATOM 0 H VAL B 217 -3.813 0.261 -8.590 1.00 44.12 H new ATOM 0 HA VAL B 217 -0.927 0.217 -8.186 1.00 21.41 H new ATOM 0 HB VAL B 217 -1.749 0.373 -10.459 1.00 44.15 H new ATOM 0 HG11 VAL B 217 -3.088 2.275 -11.276 1.00 53.44 H new ATOM 0 HG12 VAL B 217 -3.959 1.313 -10.058 1.00 53.44 H new ATOM 0 HG13 VAL B 217 -3.237 2.876 -9.607 1.00 53.44 H new ATOM 0 HG21 VAL B 217 -0.626 2.440 -11.222 1.00 65.11 H new ATOM 0 HG22 VAL B 217 -0.617 3.042 -9.547 1.00 65.11 H new ATOM 0 HG23 VAL B 217 0.316 1.588 -9.975 1.00 65.11 H new ATOM 1116 N VAL B 218 -0.832 1.978 -6.428 1.00 33.43 N ATOM 1117 CA VAL B 218 -0.644 3.064 -5.456 1.00 74.22 C ATOM 1118 C VAL B 218 0.712 3.773 -5.638 1.00 32.12 C ATOM 1119 O VAL B 218 1.758 3.130 -5.735 1.00 2.13 O ATOM 1120 CB VAL B 218 -0.768 2.538 -3.999 1.00 21.34 C ATOM 1121 CG1 VAL B 218 0.196 1.378 -3.747 1.00 75.54 C ATOM 1122 CG2 VAL B 218 -0.535 3.663 -2.987 1.00 64.43 C ATOM 0 H VAL B 218 -0.250 1.158 -6.255 1.00 33.43 H new ATOM 0 HA VAL B 218 -1.435 3.790 -5.642 1.00 74.22 H new ATOM 0 HB VAL B 218 -1.784 2.167 -3.867 1.00 21.34 H new ATOM 0 HG11 VAL B 218 0.087 1.031 -2.720 1.00 75.54 H new ATOM 0 HG12 VAL B 218 -0.031 0.561 -4.432 1.00 75.54 H new ATOM 0 HG13 VAL B 218 1.220 1.714 -3.909 1.00 75.54 H new ATOM 0 HG21 VAL B 218 -0.628 3.267 -1.976 1.00 64.43 H new ATOM 0 HG22 VAL B 218 0.464 4.076 -3.125 1.00 64.43 H new ATOM 0 HG23 VAL B 218 -1.276 4.448 -3.139 1.00 64.43 H new ATOM 1132 N ARG B 219 0.689 5.106 -5.695 1.00 65.22 N ATOM 1133 CA ARG B 219 1.926 5.892 -5.792 1.00 75.40 C ATOM 1134 C ARG B 219 2.669 5.936 -4.442 1.00 0.15 C ATOM 1135 O ARG B 219 2.339 6.733 -3.556 1.00 42.40 O ATOM 1136 CB ARG B 219 1.628 7.314 -6.294 1.00 50.43 C ATOM 1137 CG ARG B 219 1.347 7.401 -7.795 1.00 22.42 C ATOM 1138 CD ARG B 219 1.049 8.833 -8.242 1.00 41.10 C ATOM 1139 NE ARG B 219 2.083 9.779 -7.816 1.00 1.40 N ATOM 1140 CZ ARG B 219 2.151 11.027 -8.205 1.00 33.52 C ATOM 1141 NH1 ARG B 219 1.322 11.498 -9.087 1.00 21.41 N ATOM 1142 NH2 ARG B 219 3.058 11.801 -7.709 1.00 31.24 N ATOM 0 H ARG B 219 -0.165 5.663 -5.676 1.00 65.22 H new ATOM 0 HA ARG B 219 2.577 5.400 -6.515 1.00 75.40 H new ATOM 0 HB2 ARG B 219 0.768 7.707 -5.751 1.00 50.43 H new ATOM 0 HB3 ARG B 219 2.476 7.957 -6.056 1.00 50.43 H new ATOM 0 HG2 ARG B 219 2.207 7.021 -8.347 1.00 22.42 H new ATOM 0 HG3 ARG B 219 0.500 6.761 -8.043 1.00 22.42 H new ATOM 0 HD2 ARG B 219 0.961 8.860 -9.328 1.00 41.10 H new ATOM 0 HD3 ARG B 219 0.086 9.144 -7.836 1.00 41.10 H new ATOM 0 HE ARG B 219 2.799 9.442 -7.172 1.00 1.40 H new ATOM 0 HH11 ARG B 219 0.605 10.893 -9.487 1.00 21.41 H new ATOM 0 HH12 ARG B 219 1.388 12.473 -9.380 1.00 21.41 H new ATOM 0 HH21 ARG B 219 3.716 11.439 -7.019 1.00 31.24 H new ATOM 0 HH22 ARG B 219 3.117 12.775 -8.008 1.00 31.24 H new ATOM 1156 N LEU B 220 3.678 5.079 -4.312 1.00 42.12 N ATOM 1157 CA LEU B 220 4.431 4.904 -3.061 1.00 33.10 C ATOM 1158 C LEU B 220 5.668 5.825 -3.012 1.00 54.44 C ATOM 1159 O LEU B 220 6.271 6.118 -4.049 1.00 13.31 O ATOM 1160 CB LEU B 220 4.870 3.432 -2.956 1.00 42.44 C ATOM 1161 CG LEU B 220 5.384 2.977 -1.582 1.00 21.32 C ATOM 1162 CD1 LEU B 220 4.271 3.059 -0.545 1.00 20.21 C ATOM 1163 CD2 LEU B 220 5.948 1.556 -1.657 1.00 63.24 C ATOM 0 H LEU B 220 4.002 4.481 -5.072 1.00 42.12 H new ATOM 0 HA LEU B 220 3.789 5.172 -2.222 1.00 33.10 H new ATOM 0 HB2 LEU B 220 4.025 2.801 -3.232 1.00 42.44 H new ATOM 0 HB3 LEU B 220 5.654 3.254 -3.692 1.00 42.44 H new ATOM 0 HG LEU B 220 6.189 3.646 -1.278 1.00 21.32 H new ATOM 0 HD11 LEU B 220 4.651 2.733 0.423 1.00 20.21 H new ATOM 0 HD12 LEU B 220 3.919 4.088 -0.469 1.00 20.21 H new ATOM 0 HD13 LEU B 220 3.445 2.415 -0.846 1.00 20.21 H new ATOM 0 HD21 LEU B 220 6.306 1.254 -0.673 1.00 63.24 H new ATOM 0 HD22 LEU B 220 5.166 0.871 -1.984 1.00 63.24 H new ATOM 0 HD23 LEU B 220 6.774 1.529 -2.368 1.00 63.24 H new ATOM 1175 N TYR B 221 6.042 6.278 -1.809 1.00 54.41 N ATOM 1176 CA TYR B 221 7.234 7.127 -1.638 1.00 31.31 C ATOM 1177 C TYR B 221 8.529 6.364 -1.958 1.00 15.32 C ATOM 1178 O TYR B 221 8.668 5.190 -1.611 1.00 3.31 O ATOM 1179 CB TYR B 221 7.328 7.669 -0.200 1.00 34.33 C ATOM 1180 CG TYR B 221 6.403 8.833 0.116 1.00 24.14 C ATOM 1181 CD1 TYR B 221 5.026 8.659 0.207 1.00 73.42 C ATOM 1182 CD2 TYR B 221 6.916 10.105 0.349 1.00 70.50 C ATOM 1183 CE1 TYR B 221 4.193 9.716 0.520 1.00 32.20 C ATOM 1184 CE2 TYR B 221 6.086 11.165 0.659 1.00 34.42 C ATOM 1185 CZ TYR B 221 4.726 10.966 0.745 1.00 14.30 C ATOM 1186 OH TYR B 221 3.896 12.020 1.061 1.00 34.13 O ATOM 0 H TYR B 221 5.542 6.074 -0.943 1.00 54.41 H new ATOM 0 HA TYR B 221 7.125 7.955 -2.338 1.00 31.31 H new ATOM 0 HB2 TYR B 221 7.111 6.856 0.492 1.00 34.33 H new ATOM 0 HB3 TYR B 221 8.355 7.981 -0.013 1.00 34.33 H new ATOM 0 HD1 TYR B 221 4.601 7.682 0.030 1.00 73.42 H new ATOM 0 HD2 TYR B 221 7.982 10.267 0.286 1.00 70.50 H new ATOM 0 HE1 TYR B 221 3.126 9.562 0.588 1.00 32.20 H new ATOM 0 HE2 TYR B 221 6.502 12.146 0.833 1.00 34.42 H new ATOM 0 HH TYR B 221 4.431 12.831 1.189 1.00 34.13 H new ATOM 1196 N PRO B 222 9.509 7.030 -2.609 1.00 11.42 N ATOM 1197 CA PRO B 222 10.838 6.440 -2.842 1.00 31.52 C ATOM 1198 C PRO B 222 11.479 5.939 -1.542 1.00 5.24 C ATOM 1199 O PRO B 222 12.161 4.916 -1.526 1.00 34.43 O ATOM 1200 CB PRO B 222 11.645 7.604 -3.432 1.00 41.15 C ATOM 1201 CG PRO B 222 10.622 8.491 -4.058 1.00 65.10 C ATOM 1202 CD PRO B 222 9.398 8.386 -3.186 1.00 2.53 C ATOM 0 HA PRO B 222 10.795 5.567 -3.493 1.00 31.52 H new ATOM 0 HB2 PRO B 222 12.206 8.130 -2.659 1.00 41.15 H new ATOM 0 HB3 PRO B 222 12.368 7.252 -4.168 1.00 41.15 H new ATOM 0 HG2 PRO B 222 10.977 9.520 -4.111 1.00 65.10 H new ATOM 0 HG3 PRO B 222 10.403 8.176 -5.078 1.00 65.10 H new ATOM 0 HD2 PRO B 222 9.388 9.153 -2.412 1.00 2.53 H new ATOM 0 HD3 PRO B 222 8.481 8.504 -3.763 1.00 2.53 H new ATOM 1210 N ASP B 223 11.241 6.669 -0.450 1.00 53.05 N ATOM 1211 CA ASP B 223 11.735 6.279 0.875 1.00 34.53 C ATOM 1212 C ASP B 223 11.120 4.945 1.328 1.00 32.35 C ATOM 1213 O ASP B 223 11.823 4.057 1.807 1.00 22.21 O ATOM 1214 CB ASP B 223 11.409 7.367 1.899 1.00 33.25 C ATOM 1215 CG ASP B 223 11.874 8.737 1.446 1.00 44.23 C ATOM 1216 OD1 ASP B 223 13.094 8.998 1.491 1.00 65.31 O ATOM 1217 OD2 ASP B 223 11.015 9.559 1.054 1.00 50.01 O ATOM 0 H ASP B 223 10.707 7.538 -0.457 1.00 53.05 H new ATOM 0 HA ASP B 223 12.816 6.154 0.806 1.00 34.53 H new ATOM 0 HB2 ASP B 223 10.333 7.389 2.073 1.00 33.25 H new ATOM 0 HB3 ASP B 223 11.881 7.121 2.850 1.00 33.25 H new ATOM 1222 N GLU B 224 9.801 4.815 1.170 1.00 52.13 N ATOM 1223 CA GLU B 224 9.095 3.575 1.517 1.00 73.54 C ATOM 1224 C GLU B 224 9.609 2.398 0.675 1.00 62.34 C ATOM 1225 O GLU B 224 9.898 1.326 1.203 1.00 33.44 O ATOM 1226 CB GLU B 224 7.584 3.742 1.319 1.00 60.12 C ATOM 1227 CG GLU B 224 6.962 4.832 2.184 1.00 23.21 C ATOM 1228 CD GLU B 224 5.466 4.978 1.951 1.00 53.34 C ATOM 1229 OE1 GLU B 224 5.076 5.731 1.030 1.00 14.22 O ATOM 1230 OE2 GLU B 224 4.684 4.331 2.675 1.00 50.34 O ATOM 0 H GLU B 224 9.198 5.552 0.804 1.00 52.13 H new ATOM 0 HA GLU B 224 9.291 3.360 2.568 1.00 73.54 H new ATOM 0 HB2 GLU B 224 7.388 3.968 0.271 1.00 60.12 H new ATOM 0 HB3 GLU B 224 7.092 2.794 1.538 1.00 60.12 H new ATOM 0 HG2 GLU B 224 7.142 4.605 3.235 1.00 23.21 H new ATOM 0 HG3 GLU B 224 7.453 5.782 1.975 1.00 23.21 H new ATOM 1237 N ILE B 225 9.729 2.614 -0.636 1.00 22.43 N ATOM 1238 CA ILE B 225 10.317 1.619 -1.547 1.00 75.35 C ATOM 1239 C ILE B 225 11.738 1.233 -1.093 1.00 3.50 C ATOM 1240 O ILE B 225 12.112 0.056 -1.080 1.00 14.21 O ATOM 1241 CB ILE B 225 10.379 2.171 -2.995 1.00 73.05 C ATOM 1242 CG1 ILE B 225 8.969 2.534 -3.495 1.00 5.32 C ATOM 1243 CG2 ILE B 225 11.046 1.166 -3.934 1.00 70.12 C ATOM 1244 CD1 ILE B 225 8.946 3.150 -4.880 1.00 51.03 C ATOM 0 H ILE B 225 9.426 3.472 -1.097 1.00 22.43 H new ATOM 0 HA ILE B 225 9.680 0.735 -1.524 1.00 75.35 H new ATOM 0 HB ILE B 225 10.985 3.077 -2.989 1.00 73.05 H new ATOM 0 HG12 ILE B 225 8.353 1.635 -3.498 1.00 5.32 H new ATOM 0 HG13 ILE B 225 8.513 3.230 -2.791 1.00 5.32 H new ATOM 0 HG21 ILE B 225 11.077 1.576 -4.943 1.00 70.12 H new ATOM 0 HG22 ILE B 225 12.061 0.967 -3.592 1.00 70.12 H new ATOM 0 HG23 ILE B 225 10.475 0.237 -3.938 1.00 70.12 H new ATOM 0 HD11 ILE B 225 7.917 3.377 -5.160 1.00 51.03 H new ATOM 0 HD12 ILE B 225 9.533 4.068 -4.880 1.00 51.03 H new ATOM 0 HD13 ILE B 225 9.371 2.448 -5.598 1.00 51.03 H new ATOM 1256 N GLU B 226 12.509 2.247 -0.708 1.00 72.05 N ATOM 1257 CA GLU B 226 13.894 2.076 -0.245 1.00 44.12 C ATOM 1258 C GLU B 226 13.963 1.243 1.047 1.00 54.11 C ATOM 1259 O GLU B 226 14.809 0.360 1.186 1.00 51.14 O ATOM 1260 CB GLU B 226 14.519 3.463 -0.024 1.00 0.01 C ATOM 1261 CG GLU B 226 15.970 3.446 0.442 1.00 43.20 C ATOM 1262 CD GLU B 226 16.558 4.846 0.512 1.00 20.44 C ATOM 1263 OE1 GLU B 226 16.421 5.503 1.562 1.00 65.31 O ATOM 1264 OE2 GLU B 226 17.143 5.302 -0.496 1.00 33.21 O ATOM 0 H GLU B 226 12.194 3.217 -0.706 1.00 72.05 H new ATOM 0 HA GLU B 226 14.453 1.532 -1.007 1.00 44.12 H new ATOM 0 HB2 GLU B 226 14.458 4.025 -0.956 1.00 0.01 H new ATOM 0 HB3 GLU B 226 13.922 4.001 0.713 1.00 0.01 H new ATOM 0 HG2 GLU B 226 16.031 2.977 1.424 1.00 43.20 H new ATOM 0 HG3 GLU B 226 16.563 2.836 -0.240 1.00 43.20 H new ATOM 1271 N ALA B 227 13.065 1.529 1.987 1.00 52.40 N ATOM 1272 CA ALA B 227 12.987 0.776 3.245 1.00 42.45 C ATOM 1273 C ALA B 227 12.393 -0.624 3.021 1.00 50.31 C ATOM 1274 O ALA B 227 12.777 -1.592 3.683 1.00 32.33 O ATOM 1275 CB ALA B 227 12.158 1.547 4.270 1.00 53.41 C ATOM 0 H ALA B 227 12.378 2.278 1.905 1.00 52.40 H new ATOM 0 HA ALA B 227 14.000 0.652 3.628 1.00 42.45 H new ATOM 0 HB1 ALA B 227 12.107 0.979 5.199 1.00 53.41 H new ATOM 0 HB2 ALA B 227 12.623 2.514 4.461 1.00 53.41 H new ATOM 0 HB3 ALA B 227 11.151 1.700 3.883 1.00 53.41 H new ATOM 1281 N LEU B 228 11.463 -0.721 2.073 1.00 63.04 N ATOM 1282 CA LEU B 228 10.806 -1.989 1.738 1.00 31.34 C ATOM 1283 C LEU B 228 11.829 -3.040 1.273 1.00 4.04 C ATOM 1284 O LEU B 228 11.968 -4.098 1.886 1.00 42.33 O ATOM 1285 CB LEU B 228 9.753 -1.756 0.641 1.00 61.54 C ATOM 1286 CG LEU B 228 8.924 -2.989 0.242 1.00 12.22 C ATOM 1287 CD1 LEU B 228 8.119 -3.510 1.431 1.00 4.31 C ATOM 1288 CD2 LEU B 228 8.006 -2.657 -0.933 1.00 35.24 C ATOM 0 H LEU B 228 11.143 0.071 1.516 1.00 63.04 H new ATOM 0 HA LEU B 228 10.318 -2.369 2.635 1.00 31.34 H new ATOM 0 HB2 LEU B 228 9.071 -0.975 0.977 1.00 61.54 H new ATOM 0 HB3 LEU B 228 10.258 -1.377 -0.248 1.00 61.54 H new ATOM 0 HG LEU B 228 9.609 -3.777 -0.070 1.00 12.22 H new ATOM 0 HD11 LEU B 228 7.541 -4.382 1.125 1.00 4.31 H new ATOM 0 HD12 LEU B 228 8.799 -3.790 2.236 1.00 4.31 H new ATOM 0 HD13 LEU B 228 7.442 -2.731 1.782 1.00 4.31 H new ATOM 0 HD21 LEU B 228 7.427 -3.540 -1.203 1.00 35.24 H new ATOM 0 HD22 LEU B 228 7.329 -1.851 -0.649 1.00 35.24 H new ATOM 0 HD23 LEU B 228 8.607 -2.343 -1.786 1.00 35.24 H new ATOM 1300 N LYS B 229 12.569 -2.715 0.208 1.00 22.54 N ATOM 1301 CA LYS B 229 13.580 -3.623 -0.366 1.00 54.44 C ATOM 1302 C LYS B 229 14.658 -4.026 0.667 1.00 13.35 C ATOM 1303 O LYS B 229 15.433 -4.959 0.442 1.00 34.42 O ATOM 1304 CB LYS B 229 14.239 -2.961 -1.587 1.00 31.42 C ATOM 1305 CG LYS B 229 14.946 -1.649 -1.262 1.00 4.13 C ATOM 1306 CD LYS B 229 15.541 -0.970 -2.498 1.00 53.32 C ATOM 1307 CE LYS B 229 14.475 -0.389 -3.430 1.00 31.21 C ATOM 1308 NZ LYS B 229 13.762 -1.431 -4.223 1.00 11.44 N ATOM 0 H LYS B 229 12.489 -1.823 -0.281 1.00 22.54 H new ATOM 0 HA LYS B 229 13.068 -4.536 -0.671 1.00 54.44 H new ATOM 0 HB2 LYS B 229 14.959 -3.654 -2.021 1.00 31.42 H new ATOM 0 HB3 LYS B 229 13.478 -2.776 -2.345 1.00 31.42 H new ATOM 0 HG2 LYS B 229 14.239 -0.970 -0.786 1.00 4.13 H new ATOM 0 HG3 LYS B 229 15.741 -1.839 -0.541 1.00 4.13 H new ATOM 0 HD2 LYS B 229 16.212 -0.172 -2.180 1.00 53.32 H new ATOM 0 HD3 LYS B 229 16.143 -1.693 -3.049 1.00 53.32 H new ATOM 0 HE2 LYS B 229 13.749 0.169 -2.839 1.00 31.21 H new ATOM 0 HE3 LYS B 229 14.944 0.320 -4.112 1.00 31.21 H new ATOM 0 HZ1 LYS B 229 13.685 -1.122 -5.213 1.00 11.44 H new ATOM 0 HZ2 LYS B 229 14.293 -2.324 -4.179 1.00 11.44 H new ATOM 0 HZ3 LYS B 229 12.810 -1.575 -3.830 1.00 11.44 H new ATOM 1322 N SER B 230 14.695 -3.315 1.792 1.00 30.13 N ATOM 1323 CA SER B 230 15.639 -3.606 2.881 1.00 60.41 C ATOM 1324 C SER B 230 15.064 -4.628 3.872 1.00 12.41 C ATOM 1325 O SER B 230 15.687 -5.653 4.161 1.00 2.22 O ATOM 1326 CB SER B 230 15.992 -2.309 3.629 1.00 70.51 C ATOM 1327 OG SER B 230 16.897 -2.554 4.696 1.00 14.44 O ATOM 0 H SER B 230 14.078 -2.525 1.979 1.00 30.13 H new ATOM 0 HA SER B 230 16.537 -4.034 2.435 1.00 60.41 H new ATOM 0 HB2 SER B 230 16.433 -1.595 2.933 1.00 70.51 H new ATOM 0 HB3 SER B 230 15.082 -1.854 4.020 1.00 70.51 H new ATOM 0 HG SER B 230 17.103 -1.711 5.151 1.00 14.44 H new ATOM 1333 N ARG B 231 13.861 -4.354 4.375 1.00 31.13 N ATOM 1334 CA ARG B 231 13.258 -5.168 5.439 1.00 64.04 C ATOM 1335 C ARG B 231 12.568 -6.443 4.913 1.00 2.35 C ATOM 1336 O ARG B 231 12.274 -7.354 5.692 1.00 64.35 O ATOM 1337 CB ARG B 231 12.256 -4.327 6.237 1.00 64.51 C ATOM 1338 CG ARG B 231 11.086 -3.794 5.416 1.00 14.45 C ATOM 1339 CD ARG B 231 10.151 -2.947 6.272 1.00 51.53 C ATOM 1340 NE ARG B 231 9.648 -3.696 7.420 1.00 30.45 N ATOM 1341 CZ ARG B 231 9.564 -3.227 8.635 1.00 33.35 C ATOM 1342 NH1 ARG B 231 9.969 -2.027 8.917 1.00 52.15 N ATOM 1343 NH2 ARG B 231 9.096 -3.976 9.576 1.00 51.02 N ATOM 0 H ARG B 231 13.281 -3.574 4.065 1.00 31.13 H new ATOM 0 HA ARG B 231 14.075 -5.494 6.083 1.00 64.04 H new ATOM 0 HB2 ARG B 231 11.864 -4.931 7.056 1.00 64.51 H new ATOM 0 HB3 ARG B 231 12.783 -3.485 6.685 1.00 64.51 H new ATOM 0 HG2 ARG B 231 11.463 -3.197 4.586 1.00 14.45 H new ATOM 0 HG3 ARG B 231 10.532 -4.627 4.984 1.00 14.45 H new ATOM 0 HD2 ARG B 231 10.679 -2.059 6.619 1.00 51.53 H new ATOM 0 HD3 ARG B 231 9.313 -2.603 5.666 1.00 51.53 H new ATOM 0 HE ARG B 231 9.340 -4.655 7.261 1.00 30.45 H new ATOM 0 HH11 ARG B 231 10.360 -1.435 8.184 1.00 52.15 H new ATOM 0 HH12 ARG B 231 9.896 -1.675 9.872 1.00 52.15 H new ATOM 0 HH21 ARG B 231 8.795 -4.928 9.368 1.00 51.02 H new ATOM 0 HH22 ARG B 231 9.028 -3.616 10.528 1.00 51.02 H new ATOM 1357 N VAL B 232 12.288 -6.503 3.610 1.00 3.54 N ATOM 1358 CA VAL B 232 11.673 -7.703 3.023 1.00 74.04 C ATOM 1359 C VAL B 232 12.653 -8.887 3.008 1.00 14.00 C ATOM 1360 O VAL B 232 13.798 -8.757 2.565 1.00 73.32 O ATOM 1361 CB VAL B 232 11.152 -7.460 1.579 1.00 74.22 C ATOM 1362 CG1 VAL B 232 9.989 -6.473 1.583 1.00 0.30 C ATOM 1363 CG2 VAL B 232 12.276 -6.976 0.661 1.00 74.31 C ATOM 0 H VAL B 232 12.472 -5.750 2.947 1.00 3.54 H new ATOM 0 HA VAL B 232 10.822 -7.942 3.661 1.00 74.04 H new ATOM 0 HB VAL B 232 10.790 -8.411 1.188 1.00 74.22 H new ATOM 0 HG11 VAL B 232 9.640 -6.318 0.562 1.00 0.30 H new ATOM 0 HG12 VAL B 232 9.175 -6.872 2.188 1.00 0.30 H new ATOM 0 HG13 VAL B 232 10.320 -5.523 2.002 1.00 0.30 H new ATOM 0 HG21 VAL B 232 11.882 -6.814 -0.342 1.00 74.31 H new ATOM 0 HG22 VAL B 232 12.683 -6.041 1.046 1.00 74.31 H new ATOM 0 HG23 VAL B 232 13.065 -7.727 0.624 1.00 74.31 H new ATOM 1373 N PRO B 233 12.228 -10.056 3.521 1.00 42.13 N ATOM 1374 CA PRO B 233 13.045 -11.273 3.488 1.00 24.23 C ATOM 1375 C PRO B 233 12.928 -12.023 2.148 1.00 63.32 C ATOM 1376 O PRO B 233 11.950 -11.865 1.417 1.00 41.20 O ATOM 1377 CB PRO B 233 12.450 -12.098 4.632 1.00 51.43 C ATOM 1378 CG PRO B 233 11.005 -11.723 4.654 1.00 25.32 C ATOM 1379 CD PRO B 233 10.929 -10.285 4.189 1.00 65.21 C ATOM 0 HA PRO B 233 14.111 -11.069 3.593 1.00 24.23 H new ATOM 0 HB2 PRO B 233 12.580 -13.166 4.460 1.00 51.43 H new ATOM 0 HB3 PRO B 233 12.934 -11.867 5.581 1.00 51.43 H new ATOM 0 HG2 PRO B 233 10.425 -12.374 4.000 1.00 25.32 H new ATOM 0 HG3 PRO B 233 10.592 -11.829 5.657 1.00 25.32 H new ATOM 0 HD2 PRO B 233 10.095 -10.131 3.504 1.00 65.21 H new ATOM 0 HD3 PRO B 233 10.785 -9.602 5.026 1.00 65.21 H new ATOM 1387 N ALA B 234 13.923 -12.850 1.835 1.00 30.35 N ATOM 1388 CA ALA B 234 13.930 -13.630 0.589 1.00 32.02 C ATOM 1389 C ALA B 234 12.693 -14.537 0.472 1.00 5.24 C ATOM 1390 O ALA B 234 12.282 -14.914 -0.626 1.00 65.11 O ATOM 1391 CB ALA B 234 15.207 -14.465 0.506 1.00 32.40 C ATOM 0 H ALA B 234 14.740 -13.001 2.427 1.00 30.35 H new ATOM 0 HA ALA B 234 13.899 -12.927 -0.244 1.00 32.02 H new ATOM 0 HB1 ALA B 234 15.206 -15.041 -0.420 1.00 32.40 H new ATOM 0 HB2 ALA B 234 16.075 -13.805 0.522 1.00 32.40 H new ATOM 0 HB3 ALA B 234 15.253 -15.145 1.356 1.00 32.40 H new ATOM 1397 N ASN B 235 12.099 -14.872 1.617 1.00 64.34 N ATOM 1398 CA ASN B 235 10.931 -15.760 1.668 1.00 4.41 C ATOM 1399 C ASN B 235 9.599 -15.000 1.497 1.00 14.01 C ATOM 1400 O ASN B 235 8.530 -15.613 1.486 1.00 11.42 O ATOM 1401 CB ASN B 235 10.927 -16.522 2.997 1.00 15.53 C ATOM 1402 CG ASN B 235 12.197 -17.326 3.207 1.00 21.31 C ATOM 1403 OD1 ASN B 235 12.815 -17.799 2.258 1.00 2.33 O ATOM 1404 ND2 ASN B 235 12.602 -17.484 4.448 1.00 62.42 N ATOM 0 H ASN B 235 12.409 -14.540 2.530 1.00 64.34 H new ATOM 0 HA ASN B 235 11.012 -16.455 0.832 1.00 4.41 H new ATOM 0 HB2 ASN B 235 10.808 -15.815 3.818 1.00 15.53 H new ATOM 0 HB3 ASN B 235 10.067 -17.192 3.026 1.00 15.53 H new ATOM 0 HD21 ASN B 235 13.452 -18.012 4.644 1.00 62.42 H new ATOM 0 HD22 ASN B 235 12.066 -17.078 5.215 1.00 62.42 H new ATOM 1411 N THR B 236 9.662 -13.675 1.360 1.00 32.54 N ATOM 1412 CA THR B 236 8.447 -12.852 1.212 1.00 5.45 C ATOM 1413 C THR B 236 8.635 -11.756 0.154 1.00 51.12 C ATOM 1414 O THR B 236 9.435 -10.840 0.334 1.00 22.23 O ATOM 1415 CB THR B 236 8.044 -12.175 2.550 1.00 11.21 C ATOM 1416 OG1 THR B 236 7.853 -13.163 3.574 1.00 54.42 O ATOM 1417 CG2 THR B 236 6.763 -11.357 2.391 1.00 10.43 C ATOM 0 H THR B 236 10.533 -13.145 1.348 1.00 32.54 H new ATOM 0 HA THR B 236 7.656 -13.534 0.898 1.00 5.45 H new ATOM 0 HB THR B 236 8.854 -11.505 2.837 1.00 11.21 H new ATOM 0 HG1 THR B 236 7.601 -12.721 4.412 1.00 54.42 H new ATOM 0 HG21 THR B 236 6.506 -10.895 3.344 1.00 10.43 H new ATOM 0 HG22 THR B 236 6.918 -10.581 1.641 1.00 10.43 H new ATOM 0 HG23 THR B 236 5.951 -12.011 2.074 1.00 10.43 H new ATOM 1425 N SER B 237 7.892 -11.851 -0.947 1.00 50.41 N ATOM 1426 CA SER B 237 7.953 -10.836 -2.012 1.00 63.33 C ATOM 1427 C SER B 237 7.389 -9.485 -1.537 1.00 65.41 C ATOM 1428 O SER B 237 6.634 -9.421 -0.566 1.00 23.13 O ATOM 1429 CB SER B 237 7.179 -11.306 -3.250 1.00 25.32 C ATOM 1430 OG SER B 237 7.676 -12.546 -3.736 1.00 44.41 O ATOM 0 H SER B 237 7.241 -12.615 -1.130 1.00 50.41 H new ATOM 0 HA SER B 237 9.003 -10.700 -2.271 1.00 63.33 H new ATOM 0 HB2 SER B 237 6.122 -11.408 -3.003 1.00 25.32 H new ATOM 0 HB3 SER B 237 7.251 -10.552 -4.034 1.00 25.32 H new ATOM 0 HG SER B 237 7.161 -12.819 -4.524 1.00 44.41 H new ATOM 1436 N MET B 238 7.737 -8.412 -2.250 1.00 42.21 N ATOM 1437 CA MET B 238 7.344 -7.047 -1.854 1.00 20.12 C ATOM 1438 C MET B 238 5.816 -6.894 -1.738 1.00 64.11 C ATOM 1439 O MET B 238 5.304 -6.473 -0.699 1.00 55.43 O ATOM 1440 CB MET B 238 7.905 -6.027 -2.855 1.00 21.45 C ATOM 1441 CG MET B 238 9.424 -6.055 -2.967 1.00 2.04 C ATOM 1442 SD MET B 238 10.068 -4.811 -4.108 1.00 14.21 S ATOM 1443 CE MET B 238 9.264 -5.285 -5.638 1.00 32.23 C ATOM 0 H MET B 238 8.290 -8.456 -3.106 1.00 42.21 H new ATOM 0 HA MET B 238 7.765 -6.858 -0.867 1.00 20.12 H new ATOM 0 HB2 MET B 238 7.473 -6.219 -3.837 1.00 21.45 H new ATOM 0 HB3 MET B 238 7.589 -5.027 -2.558 1.00 21.45 H new ATOM 0 HG2 MET B 238 9.859 -5.896 -1.980 1.00 2.04 H new ATOM 0 HG3 MET B 238 9.741 -7.044 -3.299 1.00 2.04 H new ATOM 0 HE1 MET B 238 9.789 -4.833 -6.480 1.00 32.23 H new ATOM 0 HE2 MET B 238 9.283 -6.370 -5.738 1.00 32.23 H new ATOM 0 HE3 MET B 238 8.230 -4.940 -5.628 1.00 32.23 H new ATOM 1453 N SER B 239 5.092 -7.244 -2.803 1.00 12.00 N ATOM 1454 CA SER B 239 3.620 -7.175 -2.801 1.00 4.13 C ATOM 1455 C SER B 239 3.026 -8.023 -1.665 1.00 72.31 C ATOM 1456 O SER B 239 2.148 -7.572 -0.929 1.00 4.13 O ATOM 1457 CB SER B 239 3.051 -7.642 -4.149 1.00 14.22 C ATOM 1458 OG SER B 239 1.637 -7.525 -4.184 1.00 30.13 O ATOM 0 H SER B 239 5.495 -7.578 -3.678 1.00 12.00 H new ATOM 0 HA SER B 239 3.341 -6.134 -2.640 1.00 4.13 H new ATOM 0 HB2 SER B 239 3.486 -7.050 -4.954 1.00 14.22 H new ATOM 0 HB3 SER B 239 3.336 -8.679 -4.326 1.00 14.22 H new ATOM 0 HG SER B 239 1.305 -7.828 -5.055 1.00 30.13 H new ATOM 1464 N ALA B 240 3.524 -9.251 -1.521 1.00 41.23 N ATOM 1465 CA ALA B 240 3.099 -10.141 -0.436 1.00 72.51 C ATOM 1466 C ALA B 240 3.360 -9.521 0.948 1.00 54.31 C ATOM 1467 O ALA B 240 2.581 -9.719 1.887 1.00 22.35 O ATOM 1468 CB ALA B 240 3.808 -11.485 -0.555 1.00 3.21 C ATOM 0 H ALA B 240 4.224 -9.655 -2.143 1.00 41.23 H new ATOM 0 HA ALA B 240 2.023 -10.290 -0.531 1.00 72.51 H new ATOM 0 HB1 ALA B 240 3.486 -12.139 0.255 1.00 3.21 H new ATOM 0 HB2 ALA B 240 3.560 -11.944 -1.512 1.00 3.21 H new ATOM 0 HB3 ALA B 240 4.886 -11.335 -0.493 1.00 3.21 H new ATOM 1474 N TYR B 241 4.455 -8.773 1.075 1.00 3.12 N ATOM 1475 CA TYR B 241 4.789 -8.115 2.342 1.00 42.25 C ATOM 1476 C TYR B 241 3.827 -6.953 2.633 1.00 33.01 C ATOM 1477 O TYR B 241 3.402 -6.761 3.768 1.00 32.31 O ATOM 1478 CB TYR B 241 6.241 -7.614 2.340 1.00 13.45 C ATOM 1479 CG TYR B 241 6.686 -7.089 3.693 1.00 35.40 C ATOM 1480 CD1 TYR B 241 7.013 -7.966 4.724 1.00 53.21 C ATOM 1481 CD2 TYR B 241 6.755 -5.723 3.951 1.00 11.04 C ATOM 1482 CE1 TYR B 241 7.397 -7.497 5.966 1.00 30.01 C ATOM 1483 CE2 TYR B 241 7.134 -5.248 5.191 1.00 12.23 C ATOM 1484 CZ TYR B 241 7.453 -6.138 6.194 1.00 62.25 C ATOM 1485 OH TYR B 241 7.822 -5.665 7.433 1.00 61.32 O ATOM 0 H TYR B 241 5.124 -8.607 0.323 1.00 3.12 H new ATOM 0 HA TYR B 241 4.682 -8.857 3.133 1.00 42.25 H new ATOM 0 HB2 TYR B 241 6.900 -8.427 2.037 1.00 13.45 H new ATOM 0 HB3 TYR B 241 6.347 -6.824 1.597 1.00 13.45 H new ATOM 0 HD1 TYR B 241 6.966 -9.031 4.550 1.00 53.21 H new ATOM 0 HD2 TYR B 241 6.508 -5.022 3.167 1.00 11.04 H new ATOM 0 HE1 TYR B 241 7.652 -8.191 6.754 1.00 30.01 H new ATOM 0 HE2 TYR B 241 7.180 -4.185 5.374 1.00 12.23 H new ATOM 0 HH TYR B 241 8.437 -6.300 7.856 1.00 61.32 H new ATOM 1495 N ILE B 242 3.482 -6.181 1.605 1.00 43.02 N ATOM 1496 CA ILE B 242 2.527 -5.080 1.768 1.00 52.25 C ATOM 1497 C ILE B 242 1.106 -5.615 2.035 1.00 4.33 C ATOM 1498 O ILE B 242 0.343 -5.029 2.808 1.00 23.34 O ATOM 1499 CB ILE B 242 2.512 -4.145 0.528 1.00 50.11 C ATOM 1500 CG1 ILE B 242 3.928 -3.614 0.229 1.00 51.33 C ATOM 1501 CG2 ILE B 242 1.544 -2.980 0.746 1.00 42.02 C ATOM 1502 CD1 ILE B 242 4.521 -2.784 1.350 1.00 21.15 C ATOM 0 H ILE B 242 3.844 -6.293 0.658 1.00 43.02 H new ATOM 0 HA ILE B 242 2.855 -4.500 2.630 1.00 52.25 H new ATOM 0 HB ILE B 242 2.172 -4.724 -0.331 1.00 50.11 H new ATOM 0 HG12 ILE B 242 4.587 -4.458 0.027 1.00 51.33 H new ATOM 0 HG13 ILE B 242 3.895 -3.011 -0.678 1.00 51.33 H new ATOM 0 HG21 ILE B 242 1.547 -2.335 -0.133 1.00 42.02 H new ATOM 0 HG22 ILE B 242 0.538 -3.368 0.908 1.00 42.02 H new ATOM 0 HG23 ILE B 242 1.856 -2.406 1.618 1.00 42.02 H new ATOM 0 HD11 ILE B 242 5.518 -2.447 1.065 1.00 21.15 H new ATOM 0 HD12 ILE B 242 3.885 -1.919 1.538 1.00 21.15 H new ATOM 0 HD13 ILE B 242 4.588 -3.389 2.254 1.00 21.15 H new ATOM 1514 N ARG B 243 0.767 -6.748 1.408 1.00 22.32 N ATOM 1515 CA ARG B 243 -0.543 -7.389 1.604 1.00 54.23 C ATOM 1516 C ARG B 243 -0.822 -7.663 3.091 1.00 22.13 C ATOM 1517 O ARG B 243 -1.884 -7.323 3.606 1.00 20.10 O ATOM 1518 CB ARG B 243 -0.631 -8.708 0.810 1.00 52.54 C ATOM 1519 CG ARG B 243 -1.982 -9.413 0.952 1.00 71.41 C ATOM 1520 CD ARG B 243 -2.053 -10.721 0.161 1.00 23.40 C ATOM 1521 NE ARG B 243 -1.105 -11.730 0.646 1.00 12.35 N ATOM 1522 CZ ARG B 243 -1.417 -12.979 0.899 1.00 62.31 C ATOM 1523 NH1 ARG B 243 -2.645 -13.386 0.823 1.00 31.45 N ATOM 1524 NH2 ARG B 243 -0.502 -13.812 1.267 1.00 74.43 N ATOM 0 H ARG B 243 1.381 -7.242 0.760 1.00 22.32 H new ATOM 0 HA ARG B 243 -1.299 -6.696 1.234 1.00 54.23 H new ATOM 0 HB2 ARG B 243 -0.446 -8.502 -0.244 1.00 52.54 H new ATOM 0 HB3 ARG B 243 0.158 -9.380 1.147 1.00 52.54 H new ATOM 0 HG2 ARG B 243 -2.170 -9.620 2.006 1.00 71.41 H new ATOM 0 HG3 ARG B 243 -2.773 -8.745 0.612 1.00 71.41 H new ATOM 0 HD2 ARG B 243 -3.065 -11.122 0.220 1.00 23.40 H new ATOM 0 HD3 ARG B 243 -1.852 -10.516 -0.891 1.00 23.40 H new ATOM 0 HE ARG B 243 -0.138 -11.441 0.797 1.00 12.35 H new ATOM 0 HH11 ARG B 243 -3.384 -12.732 0.564 1.00 31.45 H new ATOM 0 HH12 ARG B 243 -2.873 -14.360 1.022 1.00 31.45 H new ATOM 0 HH21 ARG B 243 0.464 -13.499 1.361 1.00 74.43 H new ATOM 0 HH22 ARG B 243 -0.745 -14.783 1.464 1.00 74.43 H new ATOM 1538 N ARG B 244 0.144 -8.277 3.776 1.00 15.41 N ATOM 1539 CA ARG B 244 -0.010 -8.609 5.200 1.00 0.21 C ATOM 1540 C ARG B 244 -0.048 -7.343 6.082 1.00 12.14 C ATOM 1541 O ARG B 244 -0.609 -7.361 7.175 1.00 43.34 O ATOM 1542 CB ARG B 244 1.111 -9.566 5.652 1.00 0.24 C ATOM 1543 CG ARG B 244 2.517 -9.065 5.347 1.00 52.15 C ATOM 1544 CD ARG B 244 3.574 -10.140 5.587 1.00 65.41 C ATOM 1545 NE ARG B 244 3.706 -10.486 7.001 1.00 13.30 N ATOM 1546 CZ ARG B 244 4.008 -11.680 7.446 1.00 31.55 C ATOM 1547 NH1 ARG B 244 4.131 -12.681 6.632 1.00 33.42 N ATOM 1548 NH2 ARG B 244 4.176 -11.869 8.713 1.00 43.24 N ATOM 0 H ARG B 244 1.039 -8.555 3.373 1.00 15.41 H new ATOM 0 HA ARG B 244 -0.968 -9.114 5.323 1.00 0.21 H new ATOM 0 HB2 ARG B 244 1.021 -9.732 6.725 1.00 0.24 H new ATOM 0 HB3 ARG B 244 0.968 -10.531 5.167 1.00 0.24 H new ATOM 0 HG2 ARG B 244 2.566 -8.734 4.310 1.00 52.15 H new ATOM 0 HG3 ARG B 244 2.735 -8.197 5.969 1.00 52.15 H new ATOM 0 HD2 ARG B 244 3.314 -11.034 5.020 1.00 65.41 H new ATOM 0 HD3 ARG B 244 4.535 -9.791 5.210 1.00 65.41 H new ATOM 0 HE ARG B 244 3.552 -9.747 7.688 1.00 13.30 H new ATOM 0 HH11 ARG B 244 3.992 -12.544 5.631 1.00 33.42 H new ATOM 0 HH12 ARG B 244 4.367 -13.606 6.993 1.00 33.42 H new ATOM 0 HH21 ARG B 244 4.073 -11.090 9.363 1.00 43.24 H new ATOM 0 HH22 ARG B 244 4.411 -12.798 9.063 1.00 43.24 H new ATOM 1562 N ILE B 245 0.534 -6.242 5.597 1.00 32.10 N ATOM 1563 CA ILE B 245 0.476 -4.960 6.315 1.00 24.25 C ATOM 1564 C ILE B 245 -0.943 -4.368 6.265 1.00 25.13 C ATOM 1565 O ILE B 245 -1.582 -4.153 7.300 1.00 52.20 O ATOM 1566 CB ILE B 245 1.479 -3.929 5.729 1.00 61.52 C ATOM 1567 CG1 ILE B 245 2.926 -4.432 5.886 1.00 0.22 C ATOM 1568 CG2 ILE B 245 1.308 -2.560 6.396 1.00 42.42 C ATOM 1569 CD1 ILE B 245 3.963 -3.501 5.293 1.00 2.23 C ATOM 0 H ILE B 245 1.048 -6.210 4.717 1.00 32.10 H new ATOM 0 HA ILE B 245 0.749 -5.164 7.350 1.00 24.25 H new ATOM 0 HB ILE B 245 1.267 -3.816 4.666 1.00 61.52 H new ATOM 0 HG12 ILE B 245 3.140 -4.571 6.946 1.00 0.22 H new ATOM 0 HG13 ILE B 245 3.015 -5.409 5.412 1.00 0.22 H new ATOM 0 HG21 ILE B 245 2.021 -1.855 5.969 1.00 42.42 H new ATOM 0 HG22 ILE B 245 0.294 -2.197 6.227 1.00 42.42 H new ATOM 0 HG23 ILE B 245 1.487 -2.652 7.467 1.00 42.42 H new ATOM 0 HD11 ILE B 245 4.957 -3.922 5.442 1.00 2.23 H new ATOM 0 HD12 ILE B 245 3.776 -3.381 4.226 1.00 2.23 H new ATOM 0 HD13 ILE B 245 3.903 -2.530 5.784 1.00 2.23 H new ATOM 1581 N ILE B 246 -1.436 -4.115 5.051 1.00 74.22 N ATOM 1582 CA ILE B 246 -2.779 -3.555 4.863 1.00 10.41 C ATOM 1583 C ILE B 246 -3.865 -4.505 5.395 1.00 33.43 C ATOM 1584 O ILE B 246 -4.897 -4.058 5.892 1.00 62.11 O ATOM 1585 CB ILE B 246 -3.056 -3.207 3.377 1.00 35.45 C ATOM 1586 CG1 ILE B 246 -2.867 -4.440 2.478 1.00 75.42 C ATOM 1587 CG2 ILE B 246 -2.152 -2.060 2.923 1.00 72.54 C ATOM 1588 CD1 ILE B 246 -3.051 -4.160 1.000 1.00 64.10 C ATOM 0 H ILE B 246 -0.928 -4.288 4.184 1.00 74.22 H new ATOM 0 HA ILE B 246 -2.815 -2.631 5.440 1.00 10.41 H new ATOM 0 HB ILE B 246 -4.094 -2.886 3.288 1.00 35.45 H new ATOM 0 HG12 ILE B 246 -1.868 -4.844 2.639 1.00 75.42 H new ATOM 0 HG13 ILE B 246 -3.575 -5.211 2.782 1.00 75.42 H new ATOM 0 HG21 ILE B 246 -2.357 -1.827 1.878 1.00 72.54 H new ATOM 0 HG22 ILE B 246 -2.345 -1.180 3.536 1.00 72.54 H new ATOM 0 HG23 ILE B 246 -1.108 -2.355 3.030 1.00 72.54 H new ATOM 0 HD11 ILE B 246 -2.901 -5.079 0.434 1.00 64.10 H new ATOM 0 HD12 ILE B 246 -4.059 -3.785 0.823 1.00 64.10 H new ATOM 0 HD13 ILE B 246 -2.325 -3.413 0.678 1.00 64.10 H new ATOM 1600 N LEU B 247 -3.617 -5.813 5.309 1.00 2.24 N ATOM 1601 CA LEU B 247 -4.534 -6.816 5.867 1.00 72.34 C ATOM 1602 C LEU B 247 -4.806 -6.548 7.355 1.00 41.21 C ATOM 1603 O LEU B 247 -5.956 -6.386 7.769 1.00 32.11 O ATOM 1604 CB LEU B 247 -3.948 -8.225 5.685 1.00 24.33 C ATOM 1605 CG LEU B 247 -4.761 -9.374 6.308 1.00 43.40 C ATOM 1606 CD1 LEU B 247 -6.177 -9.423 5.732 1.00 31.35 C ATOM 1607 CD2 LEU B 247 -4.041 -10.709 6.104 1.00 32.42 C ATOM 0 H LEU B 247 -2.790 -6.205 4.859 1.00 2.24 H new ATOM 0 HA LEU B 247 -5.480 -6.748 5.330 1.00 72.34 H new ATOM 0 HB2 LEU B 247 -3.840 -8.418 4.618 1.00 24.33 H new ATOM 0 HB3 LEU B 247 -2.946 -8.240 6.114 1.00 24.33 H new ATOM 0 HG LEU B 247 -4.846 -9.189 7.379 1.00 43.40 H new ATOM 0 HD11 LEU B 247 -6.728 -10.244 6.190 1.00 31.35 H new ATOM 0 HD12 LEU B 247 -6.687 -8.483 5.940 1.00 31.35 H new ATOM 0 HD13 LEU B 247 -6.126 -9.577 4.654 1.00 31.35 H new ATOM 0 HD21 LEU B 247 -4.629 -11.511 6.550 1.00 32.42 H new ATOM 0 HD22 LEU B 247 -3.920 -10.898 5.037 1.00 32.42 H new ATOM 0 HD23 LEU B 247 -3.061 -10.670 6.579 1.00 32.42 H new ATOM 1619 N ASN B 248 -3.735 -6.485 8.151 1.00 10.33 N ATOM 1620 CA ASN B 248 -3.848 -6.192 9.583 1.00 22.24 C ATOM 1621 C ASN B 248 -4.526 -4.833 9.835 1.00 33.33 C ATOM 1622 O ASN B 248 -5.118 -4.615 10.892 1.00 43.34 O ATOM 1623 CB ASN B 248 -2.464 -6.236 10.246 1.00 50.21 C ATOM 1624 CG ASN B 248 -1.884 -7.642 10.290 1.00 71.11 C ATOM 1625 OD1 ASN B 248 -2.176 -8.482 9.443 1.00 22.44 O ATOM 1626 ND2 ASN B 248 -1.059 -7.917 11.281 1.00 33.43 N ATOM 0 H ASN B 248 -2.779 -6.633 7.828 1.00 10.33 H new ATOM 0 HA ASN B 248 -4.479 -6.960 10.030 1.00 22.24 H new ATOM 0 HB2 ASN B 248 -1.783 -5.582 9.701 1.00 50.21 H new ATOM 0 HB3 ASN B 248 -2.538 -5.845 11.261 1.00 50.21 H new ATOM 0 HD21 ASN B 248 -0.646 -8.846 11.358 1.00 33.43 H new ATOM 0 HD22 ASN B 248 -0.834 -7.200 11.971 1.00 33.43 H new ATOM 1633 N HIS B 249 -4.441 -3.922 8.864 1.00 65.42 N ATOM 1634 CA HIS B 249 -5.141 -2.634 8.949 1.00 42.12 C ATOM 1635 C HIS B 249 -6.659 -2.824 8.781 1.00 44.11 C ATOM 1636 O HIS B 249 -7.446 -2.263 9.534 1.00 40.24 O ATOM 1637 CB HIS B 249 -4.602 -1.665 7.885 1.00 45.02 C ATOM 1638 CG HIS B 249 -5.201 -0.287 7.951 1.00 23.31 C ATOM 1639 ND1 HIS B 249 -4.606 0.760 8.623 1.00 3.11 N ATOM 1640 CD2 HIS B 249 -6.336 0.221 7.406 1.00 53.43 C ATOM 1641 CE1 HIS B 249 -5.344 1.844 8.492 1.00 72.13 C ATOM 1642 NE2 HIS B 249 -6.395 1.545 7.761 1.00 11.13 N ATOM 0 H HIS B 249 -3.897 -4.049 8.011 1.00 65.42 H new ATOM 0 HA HIS B 249 -4.959 -2.209 9.936 1.00 42.12 H new ATOM 0 HB2 HIS B 249 -3.521 -1.585 7.996 1.00 45.02 H new ATOM 0 HB3 HIS B 249 -4.791 -2.085 6.897 1.00 45.02 H new ATOM 0 HD1 HIS B 249 -3.730 0.704 9.142 1.00 3.11 H new ATOM 0 HD2 HIS B 249 -7.056 -0.316 6.806 1.00 53.43 H new ATOM 0 HE1 HIS B 249 -5.123 2.813 8.914 1.00 72.13 H new ATOM 1651 N LEU B 250 -7.061 -3.621 7.791 1.00 24.43 N ATOM 1652 CA LEU B 250 -8.486 -3.901 7.545 1.00 31.54 C ATOM 1653 C LEU B 250 -9.155 -4.563 8.762 1.00 23.34 C ATOM 1654 O LEU B 250 -10.232 -4.151 9.195 1.00 13.52 O ATOM 1655 CB LEU B 250 -8.650 -4.799 6.302 1.00 42.22 C ATOM 1656 CG LEU B 250 -8.747 -4.068 4.949 1.00 23.51 C ATOM 1657 CD1 LEU B 250 -10.022 -3.230 4.881 1.00 33.55 C ATOM 1658 CD2 LEU B 250 -7.517 -3.197 4.702 1.00 21.15 C ATOM 0 H LEU B 250 -6.425 -4.086 7.144 1.00 24.43 H new ATOM 0 HA LEU B 250 -8.981 -2.946 7.368 1.00 31.54 H new ATOM 0 HB2 LEU B 250 -7.805 -5.487 6.261 1.00 42.22 H new ATOM 0 HB3 LEU B 250 -9.548 -5.404 6.431 1.00 42.22 H new ATOM 0 HG LEU B 250 -8.786 -4.822 4.163 1.00 23.51 H new ATOM 0 HD11 LEU B 250 -10.072 -2.722 3.918 1.00 33.55 H new ATOM 0 HD12 LEU B 250 -10.890 -3.879 4.995 1.00 33.55 H new ATOM 0 HD13 LEU B 250 -10.015 -2.491 5.682 1.00 33.55 H new ATOM 0 HD21 LEU B 250 -7.615 -2.694 3.740 1.00 21.15 H new ATOM 0 HD22 LEU B 250 -7.433 -2.453 5.494 1.00 21.15 H new ATOM 0 HD23 LEU B 250 -6.624 -3.822 4.696 1.00 21.15 H new ATOM 1670 N GLU B 251 -8.497 -5.576 9.320 1.00 53.34 N ATOM 1671 CA GLU B 251 -9.052 -6.345 10.447 1.00 23.41 C ATOM 1672 C GLU B 251 -8.736 -5.707 11.817 1.00 24.44 C ATOM 1673 O GLU B 251 -8.722 -6.400 12.840 1.00 42.41 O ATOM 1674 CB GLU B 251 -8.515 -7.785 10.409 1.00 54.23 C ATOM 1675 CG GLU B 251 -6.991 -7.876 10.414 1.00 3.33 C ATOM 1676 CD GLU B 251 -6.477 -9.310 10.425 1.00 41.01 C ATOM 1677 OE1 GLU B 251 -6.699 -10.039 9.435 1.00 31.13 O ATOM 1678 OE2 GLU B 251 -5.835 -9.709 11.422 1.00 73.34 O ATOM 0 H GLU B 251 -7.576 -5.889 9.014 1.00 53.34 H new ATOM 0 HA GLU B 251 -10.136 -6.343 10.333 1.00 23.41 H new ATOM 0 HB2 GLU B 251 -8.905 -8.331 11.268 1.00 54.23 H new ATOM 0 HB3 GLU B 251 -8.896 -8.281 9.517 1.00 54.23 H new ATOM 0 HG2 GLU B 251 -6.600 -7.363 9.535 1.00 3.33 H new ATOM 0 HG3 GLU B 251 -6.605 -7.351 11.288 1.00 3.33 H new ATOM 1685 N ASP B 252 -8.516 -4.391 11.845 1.00 61.55 N ATOM 1686 CA ASP B 252 -8.174 -3.702 13.097 1.00 64.14 C ATOM 1687 C ASP B 252 -8.463 -2.189 13.025 1.00 43.41 C ATOM 1688 O ASP B 252 -9.241 -1.658 13.816 1.00 25.44 O ATOM 1689 CB ASP B 252 -6.695 -3.940 13.425 1.00 63.21 C ATOM 1690 CG ASP B 252 -6.350 -3.600 14.863 1.00 73.40 C ATOM 1691 OD1 ASP B 252 -6.062 -2.423 15.155 1.00 30.14 O ATOM 1692 OD2 ASP B 252 -6.352 -4.518 15.709 1.00 63.21 O ATOM 0 H ASP B 252 -8.567 -3.784 11.027 1.00 61.55 H new ATOM 0 HA ASP B 252 -8.802 -4.114 13.887 1.00 64.14 H new ATOM 0 HB2 ASP B 252 -6.449 -4.985 13.234 1.00 63.21 H new ATOM 0 HB3 ASP B 252 -6.078 -3.340 12.756 1.00 63.21 H new ATOM 1697 N GLU B 253 -7.822 -1.504 12.079 1.00 32.21 N ATOM 1698 CA GLU B 253 -7.944 -0.042 11.943 1.00 61.43 C ATOM 1699 C GLU B 253 -9.106 0.358 11.007 1.00 21.32 C ATOM 1700 O GLU B 253 -8.908 0.370 9.771 1.00 37.18 O ATOM 1701 CB GLU B 253 -6.628 0.546 11.413 1.00 71.20 C ATOM 1702 CG GLU B 253 -5.416 0.265 12.293 1.00 13.34 C ATOM 1703 CD GLU B 253 -4.123 0.791 11.689 1.00 43.23 C ATOM 1704 OE1 GLU B 253 -3.844 2.000 11.827 1.00 53.42 O ATOM 1705 OE2 GLU B 253 -3.389 0.000 11.054 1.00 1.14 O ATOM 1706 OXT GLU B 253 -10.205 0.688 11.511 1.00 37.18 O ATOM 0 H GLU B 253 -7.208 -1.936 11.389 1.00 32.21 H new ATOM 0 HA GLU B 253 -8.160 0.362 12.932 1.00 61.43 H new ATOM 0 HB2 GLU B 253 -6.440 0.145 10.417 1.00 71.20 H new ATOM 0 HB3 GLU B 253 -6.743 1.625 11.306 1.00 71.20 H new ATOM 0 HG2 GLU B 253 -5.568 0.721 13.271 1.00 13.34 H new ATOM 0 HG3 GLU B 253 -5.328 -0.810 12.452 1.00 13.34 H new