USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=18 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 Set 1.1: A 37 SER OG : rot 180:sc= 0.1 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0383) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.664 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.741 USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0.309 (180deg=0.147) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -121:sc= -1.19 (180deg=-3.52!) USER MOD Single : A 41 TYR OH : rot 70:sc= 0.996 USER MOD Single : A 48 ASN : amide:sc= -0.212 K(o=-0.21,f=-3.1!) USER MOD Single : A 49 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : B 213 THR OG1 : rot -140:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot -57:sc= 0.589 USER MOD Single : B 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 236 THR OG1 : rot -140:sc= -0.254 USER MOD Single : B 237 SER OG : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl -162:sc= 0 (180deg=-0.0919) USER MOD Single : B 239 SER OG : rot -113:sc= 0.987 USER MOD Single : B 241 TYR OH : rot 180:sc= 0 USER MOD Single : B 248 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.0023) USER MOD Single : B 249 HIS : no HD1:sc= -0.505 X(o=-0.5,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 11 4.870 12.969 -9.987 1.00 15.44 N ATOM 146 CA LYS A 11 5.645 11.909 -10.660 1.00 12.03 C ATOM 147 C LYS A 11 6.889 11.470 -9.859 1.00 31.42 C ATOM 148 O LYS A 11 7.796 10.834 -10.402 1.00 54.22 O ATOM 149 CB LYS A 11 6.042 12.386 -12.068 1.00 22.33 C ATOM 150 CG LYS A 11 6.901 13.650 -12.085 1.00 21.04 C ATOM 151 CD LYS A 11 7.005 14.236 -13.493 1.00 61.15 C ATOM 152 CE LYS A 11 7.975 15.412 -13.560 1.00 45.31 C ATOM 153 NZ LYS A 11 9.389 14.978 -13.421 1.00 55.13 N ATOM 0 HA LYS A 11 5.007 11.028 -10.731 1.00 12.03 H new ATOM 0 HB2 LYS A 11 6.585 11.585 -12.571 1.00 22.33 H new ATOM 0 HB3 LYS A 11 5.136 12.569 -12.646 1.00 22.33 H new ATOM 0 HG2 LYS A 11 6.472 14.392 -11.411 1.00 21.04 H new ATOM 0 HG3 LYS A 11 7.898 13.419 -11.711 1.00 21.04 H new ATOM 0 HD2 LYS A 11 7.331 13.459 -14.184 1.00 61.15 H new ATOM 0 HD3 LYS A 11 6.018 14.562 -13.822 1.00 61.15 H new ATOM 0 HE2 LYS A 11 7.848 15.933 -14.509 1.00 45.31 H new ATOM 0 HE3 LYS A 11 7.736 16.124 -12.771 1.00 45.31 H new ATOM 0 HZ1 LYS A 11 10.018 15.792 -13.573 1.00 55.13 H new ATOM 0 HZ2 LYS A 11 9.542 14.596 -12.466 1.00 55.13 H new ATOM 0 HZ3 LYS A 11 9.597 14.242 -14.126 1.00 55.13 H new ATOM 167 N ASP A 12 6.921 11.789 -8.568 1.00 35.10 N ATOM 168 CA ASP A 12 8.013 11.352 -7.684 1.00 24.41 C ATOM 169 C ASP A 12 7.715 9.974 -7.057 1.00 35.12 C ATOM 170 O ASP A 12 8.494 9.029 -7.218 1.00 24.20 O ATOM 171 CB ASP A 12 8.254 12.402 -6.592 1.00 40.24 C ATOM 172 CG ASP A 12 6.963 12.833 -5.927 1.00 62.02 C ATOM 173 OD1 ASP A 12 6.234 13.638 -6.533 1.00 13.12 O ATOM 174 OD2 ASP A 12 6.655 12.345 -4.828 1.00 4.30 O ATOM 0 H ASP A 12 6.205 12.349 -8.104 1.00 35.10 H new ATOM 0 HA ASP A 12 8.917 11.249 -8.285 1.00 24.41 H new ATOM 0 HB2 ASP A 12 8.931 11.995 -5.841 1.00 40.24 H new ATOM 0 HB3 ASP A 12 8.746 13.272 -7.027 1.00 40.24 H new ATOM 179 N THR A 13 6.589 9.874 -6.341 1.00 51.42 N ATOM 180 CA THR A 13 6.141 8.607 -5.738 1.00 53.24 C ATOM 181 C THR A 13 6.055 7.479 -6.773 1.00 64.23 C ATOM 182 O THR A 13 5.543 7.669 -7.879 1.00 52.12 O ATOM 183 CB THR A 13 4.757 8.758 -5.055 1.00 43.25 C ATOM 184 OG1 THR A 13 3.793 9.247 -6.003 1.00 41.31 O ATOM 185 CG2 THR A 13 4.829 9.703 -3.859 1.00 62.24 C ATOM 0 H THR A 13 5.965 10.661 -6.162 1.00 51.42 H new ATOM 0 HA THR A 13 6.890 8.349 -4.989 1.00 53.24 H new ATOM 0 HB THR A 13 4.450 7.776 -4.695 1.00 43.25 H new ATOM 0 HG1 THR A 13 2.921 9.338 -5.565 1.00 41.31 H new ATOM 0 HG21 THR A 13 3.843 9.788 -3.402 1.00 62.24 H new ATOM 0 HG22 THR A 13 5.535 9.311 -3.127 1.00 62.24 H new ATOM 0 HG23 THR A 13 5.160 10.687 -4.192 1.00 62.24 H new ATOM 193 N LYS A 14 6.550 6.299 -6.404 1.00 42.54 N ATOM 194 CA LYS A 14 6.630 5.165 -7.332 1.00 42.00 C ATOM 195 C LYS A 14 5.362 4.292 -7.279 1.00 45.12 C ATOM 196 O LYS A 14 4.906 3.910 -6.196 1.00 30.13 O ATOM 197 CB LYS A 14 7.864 4.309 -7.009 1.00 73.03 C ATOM 198 CG LYS A 14 9.160 5.107 -6.867 1.00 31.13 C ATOM 199 CD LYS A 14 9.489 5.917 -8.123 1.00 44.55 C ATOM 200 CE LYS A 14 9.736 5.025 -9.335 1.00 12.40 C ATOM 201 NZ LYS A 14 10.166 5.812 -10.524 1.00 22.04 N ATOM 0 H LYS A 14 6.903 6.100 -5.468 1.00 42.54 H new ATOM 0 HA LYS A 14 6.716 5.569 -8.341 1.00 42.00 H new ATOM 0 HB2 LYS A 14 7.682 3.765 -6.082 1.00 73.03 H new ATOM 0 HB3 LYS A 14 7.993 3.565 -7.796 1.00 73.03 H new ATOM 0 HG2 LYS A 14 9.076 5.782 -6.015 1.00 31.13 H new ATOM 0 HG3 LYS A 14 9.982 4.424 -6.653 1.00 31.13 H new ATOM 0 HD2 LYS A 14 8.667 6.600 -8.338 1.00 44.55 H new ATOM 0 HD3 LYS A 14 10.372 6.529 -7.938 1.00 44.55 H new ATOM 0 HE2 LYS A 14 10.500 4.286 -9.093 1.00 12.40 H new ATOM 0 HE3 LYS A 14 8.825 4.475 -9.573 1.00 12.40 H new ATOM 0 HZ1 LYS A 14 10.324 5.170 -11.327 1.00 22.04 H new ATOM 0 HZ2 LYS A 14 9.426 6.500 -10.771 1.00 22.04 H new ATOM 0 HZ3 LYS A 14 11.049 6.317 -10.306 1.00 22.04 H new ATOM 215 N PRO A 15 4.773 3.971 -8.452 1.00 12.11 N ATOM 216 CA PRO A 15 3.582 3.108 -8.542 1.00 20.43 C ATOM 217 C PRO A 15 3.898 1.612 -8.314 1.00 34.02 C ATOM 218 O PRO A 15 4.575 0.973 -9.128 1.00 11.14 O ATOM 219 CB PRO A 15 3.072 3.340 -9.983 1.00 24.34 C ATOM 220 CG PRO A 15 3.894 4.467 -10.531 1.00 20.23 C ATOM 221 CD PRO A 15 5.195 4.433 -9.781 1.00 14.01 C ATOM 0 HA PRO A 15 2.853 3.356 -7.770 1.00 20.43 H new ATOM 0 HB2 PRO A 15 3.188 2.441 -10.588 1.00 24.34 H new ATOM 0 HB3 PRO A 15 2.011 3.592 -9.987 1.00 24.34 H new ATOM 0 HG2 PRO A 15 4.058 4.346 -11.602 1.00 20.23 H new ATOM 0 HG3 PRO A 15 3.388 5.422 -10.392 1.00 20.23 H new ATOM 0 HD2 PRO A 15 5.912 3.753 -10.240 1.00 14.01 H new ATOM 0 HD3 PRO A 15 5.668 5.414 -9.740 1.00 14.01 H new ATOM 229 N VAL A 16 3.418 1.068 -7.198 1.00 54.44 N ATOM 230 CA VAL A 16 3.556 -0.361 -6.893 1.00 40.41 C ATOM 231 C VAL A 16 2.177 -1.037 -6.796 1.00 15.20 C ATOM 232 O VAL A 16 1.277 -0.546 -6.114 1.00 71.23 O ATOM 233 CB VAL A 16 4.351 -0.580 -5.575 1.00 63.14 C ATOM 234 CG1 VAL A 16 3.686 0.140 -4.398 1.00 23.25 C ATOM 235 CG2 VAL A 16 4.513 -2.073 -5.282 1.00 30.45 C ATOM 0 H VAL A 16 2.924 1.599 -6.481 1.00 54.44 H new ATOM 0 HA VAL A 16 4.113 -0.819 -7.711 1.00 40.41 H new ATOM 0 HB VAL A 16 5.343 -0.149 -5.708 1.00 63.14 H new ATOM 0 HG11 VAL A 16 4.266 -0.033 -3.491 1.00 23.25 H new ATOM 0 HG12 VAL A 16 3.643 1.210 -4.603 1.00 23.25 H new ATOM 0 HG13 VAL A 16 2.675 -0.244 -4.261 1.00 23.25 H new ATOM 0 HG21 VAL A 16 5.072 -2.203 -4.355 1.00 30.45 H new ATOM 0 HG22 VAL A 16 3.530 -2.533 -5.180 1.00 30.45 H new ATOM 0 HG23 VAL A 16 5.053 -2.548 -6.101 1.00 30.45 H new ATOM 245 N VAL A 17 2.006 -2.161 -7.492 1.00 62.13 N ATOM 246 CA VAL A 17 0.721 -2.871 -7.510 1.00 43.44 C ATOM 247 C VAL A 17 0.663 -3.974 -6.437 1.00 70.04 C ATOM 248 O VAL A 17 1.536 -4.839 -6.366 1.00 43.23 O ATOM 249 CB VAL A 17 0.440 -3.479 -8.910 1.00 12.14 C ATOM 250 CG1 VAL A 17 1.549 -4.445 -9.336 1.00 11.14 C ATOM 251 CG2 VAL A 17 -0.927 -4.165 -8.942 1.00 24.41 C ATOM 0 H VAL A 17 2.737 -2.601 -8.050 1.00 62.13 H new ATOM 0 HA VAL A 17 -0.051 -2.136 -7.283 1.00 43.44 H new ATOM 0 HB VAL A 17 0.426 -2.660 -9.629 1.00 12.14 H new ATOM 0 HG11 VAL A 17 1.319 -4.852 -10.321 1.00 11.14 H new ATOM 0 HG12 VAL A 17 2.499 -3.913 -9.376 1.00 11.14 H new ATOM 0 HG13 VAL A 17 1.619 -5.259 -8.615 1.00 11.14 H new ATOM 0 HG21 VAL A 17 -1.101 -4.583 -9.933 1.00 24.41 H new ATOM 0 HG22 VAL A 17 -0.950 -4.965 -8.202 1.00 24.41 H new ATOM 0 HG23 VAL A 17 -1.705 -3.437 -8.714 1.00 24.41 H new ATOM 261 N VAL A 18 -0.367 -3.927 -5.594 1.00 30.21 N ATOM 262 CA VAL A 18 -0.560 -4.927 -4.536 1.00 4.35 C ATOM 263 C VAL A 18 -1.873 -5.703 -4.742 1.00 52.42 C ATOM 264 O VAL A 18 -2.894 -5.125 -5.109 1.00 35.30 O ATOM 265 CB VAL A 18 -0.574 -4.259 -3.135 1.00 64.54 C ATOM 266 CG1 VAL A 18 -0.730 -5.301 -2.027 1.00 62.24 C ATOM 267 CG2 VAL A 18 0.691 -3.430 -2.924 1.00 34.11 C ATOM 0 H VAL A 18 -1.086 -3.204 -5.621 1.00 30.21 H new ATOM 0 HA VAL A 18 0.277 -5.623 -4.591 1.00 4.35 H new ATOM 0 HB VAL A 18 -1.435 -3.593 -3.088 1.00 64.54 H new ATOM 0 HG11 VAL A 18 -0.736 -4.803 -1.057 1.00 62.24 H new ATOM 0 HG12 VAL A 18 -1.667 -5.840 -2.164 1.00 62.24 H new ATOM 0 HG13 VAL A 18 0.102 -6.004 -2.068 1.00 62.24 H new ATOM 0 HG21 VAL A 18 0.664 -2.969 -1.937 1.00 34.11 H new ATOM 0 HG22 VAL A 18 1.566 -4.076 -2.999 1.00 34.11 H new ATOM 0 HG23 VAL A 18 0.748 -2.652 -3.686 1.00 34.11 H new ATOM 277 N ARG A 19 -1.841 -7.013 -4.505 1.00 33.33 N ATOM 278 CA ARG A 19 -3.029 -7.861 -4.677 1.00 51.14 C ATOM 279 C ARG A 19 -3.915 -7.873 -3.419 1.00 53.34 C ATOM 280 O ARG A 19 -3.618 -8.564 -2.442 1.00 65.11 O ATOM 281 CB ARG A 19 -2.614 -9.295 -5.038 1.00 14.31 C ATOM 282 CG ARG A 19 -2.073 -9.446 -6.458 1.00 24.32 C ATOM 283 CD ARG A 19 -1.657 -10.886 -6.753 1.00 11.11 C ATOM 284 NE ARG A 19 -1.402 -11.108 -8.176 1.00 30.22 N ATOM 285 CZ ARG A 19 -0.625 -12.044 -8.651 1.00 50.34 C ATOM 286 NH1 ARG A 19 0.055 -12.812 -7.862 1.00 53.35 N ATOM 287 NH2 ARG A 19 -0.521 -12.204 -9.930 1.00 70.51 N ATOM 0 H ARG A 19 -1.009 -7.514 -4.194 1.00 33.33 H new ATOM 0 HA ARG A 19 -3.615 -7.436 -5.492 1.00 51.14 H new ATOM 0 HB2 ARG A 19 -1.854 -9.631 -4.333 1.00 14.31 H new ATOM 0 HB3 ARG A 19 -3.474 -9.953 -4.916 1.00 14.31 H new ATOM 0 HG2 ARG A 19 -2.834 -9.133 -7.173 1.00 24.32 H new ATOM 0 HG3 ARG A 19 -1.217 -8.785 -6.594 1.00 24.32 H new ATOM 0 HD2 ARG A 19 -0.760 -11.127 -6.183 1.00 11.11 H new ATOM 0 HD3 ARG A 19 -2.440 -11.565 -6.416 1.00 11.11 H new ATOM 0 HE ARG A 19 -1.863 -10.489 -8.843 1.00 30.22 H new ATOM 0 HH11 ARG A 19 -0.011 -12.691 -6.851 1.00 53.35 H new ATOM 0 HH12 ARG A 19 0.657 -13.538 -8.251 1.00 53.35 H new ATOM 0 HH21 ARG A 19 -1.045 -11.600 -10.564 1.00 70.51 H new ATOM 0 HH22 ARG A 19 0.085 -12.934 -10.305 1.00 70.51 H new ATOM 301 N LEU A 20 -5.001 -7.104 -3.450 1.00 70.41 N ATOM 302 CA LEU A 20 -5.967 -7.076 -2.345 1.00 51.52 C ATOM 303 C LEU A 20 -7.263 -7.806 -2.745 1.00 43.03 C ATOM 304 O LEU A 20 -7.594 -7.899 -3.925 1.00 11.41 O ATOM 305 CB LEU A 20 -6.260 -5.627 -1.921 1.00 61.44 C ATOM 306 CG LEU A 20 -7.128 -5.468 -0.656 1.00 23.33 C ATOM 307 CD1 LEU A 20 -6.490 -6.175 0.539 1.00 50.32 C ATOM 308 CD2 LEU A 20 -7.361 -3.990 -0.345 1.00 1.41 C ATOM 0 H LEU A 20 -5.238 -6.489 -4.229 1.00 70.41 H new ATOM 0 HA LEU A 20 -5.534 -7.597 -1.491 1.00 51.52 H new ATOM 0 HB2 LEU A 20 -5.311 -5.116 -1.756 1.00 61.44 H new ATOM 0 HB3 LEU A 20 -6.756 -5.118 -2.747 1.00 61.44 H new ATOM 0 HG LEU A 20 -8.093 -5.936 -0.849 1.00 23.33 H new ATOM 0 HD11 LEU A 20 -7.122 -6.047 1.418 1.00 50.32 H new ATOM 0 HD12 LEU A 20 -6.384 -7.237 0.319 1.00 50.32 H new ATOM 0 HD13 LEU A 20 -5.507 -5.745 0.734 1.00 50.32 H new ATOM 0 HD21 LEU A 20 -7.975 -3.899 0.551 1.00 1.41 H new ATOM 0 HD22 LEU A 20 -6.403 -3.498 -0.179 1.00 1.41 H new ATOM 0 HD23 LEU A 20 -7.871 -3.518 -1.184 1.00 1.41 H new ATOM 320 N TYR A 21 -7.991 -8.322 -1.760 1.00 64.30 N ATOM 321 CA TYR A 21 -9.166 -9.163 -2.022 1.00 53.45 C ATOM 322 C TYR A 21 -10.462 -8.337 -2.174 1.00 44.11 C ATOM 323 O TYR A 21 -10.660 -7.337 -1.482 1.00 72.45 O ATOM 324 CB TYR A 21 -9.292 -10.198 -0.901 1.00 74.41 C ATOM 325 CG TYR A 21 -8.050 -11.066 -0.770 1.00 73.20 C ATOM 326 CD1 TYR A 21 -6.985 -10.684 0.045 1.00 65.25 C ATOM 327 CD2 TYR A 21 -7.931 -12.257 -1.481 1.00 72.14 C ATOM 328 CE1 TYR A 21 -5.845 -11.461 0.144 1.00 23.34 C ATOM 329 CE2 TYR A 21 -6.797 -13.039 -1.381 1.00 3.02 C ATOM 330 CZ TYR A 21 -5.757 -12.638 -0.568 1.00 0.54 C ATOM 331 OH TYR A 21 -4.624 -13.416 -0.476 1.00 52.13 O ATOM 0 H TYR A 21 -7.792 -8.176 -0.770 1.00 64.30 H new ATOM 0 HA TYR A 21 -9.023 -9.670 -2.976 1.00 53.45 H new ATOM 0 HB2 TYR A 21 -9.475 -9.686 0.044 1.00 74.41 H new ATOM 0 HB3 TYR A 21 -10.157 -10.833 -1.092 1.00 74.41 H new ATOM 0 HD1 TYR A 21 -7.051 -9.765 0.609 1.00 65.25 H new ATOM 0 HD2 TYR A 21 -8.740 -12.575 -2.122 1.00 72.14 H new ATOM 0 HE1 TYR A 21 -5.028 -11.147 0.776 1.00 23.34 H new ATOM 0 HE2 TYR A 21 -6.725 -13.962 -1.938 1.00 3.02 H new ATOM 0 HH TYR A 21 -4.726 -14.211 -1.040 1.00 52.13 H new ATOM 341 N PRO A 22 -11.374 -8.769 -3.082 1.00 70.21 N ATOM 342 CA PRO A 22 -12.592 -8.008 -3.452 1.00 22.52 C ATOM 343 C PRO A 22 -13.417 -7.506 -2.247 1.00 72.44 C ATOM 344 O PRO A 22 -13.701 -6.307 -2.143 1.00 25.10 O ATOM 345 CB PRO A 22 -13.410 -9.011 -4.295 1.00 63.50 C ATOM 346 CG PRO A 22 -12.748 -10.338 -4.095 1.00 35.21 C ATOM 347 CD PRO A 22 -11.302 -10.041 -3.818 1.00 64.34 C ATOM 0 HA PRO A 22 -12.327 -7.093 -3.981 1.00 22.52 H new ATOM 0 HB2 PRO A 22 -14.450 -9.039 -3.971 1.00 63.50 H new ATOM 0 HB3 PRO A 22 -13.412 -8.728 -5.348 1.00 63.50 H new ATOM 0 HG2 PRO A 22 -13.201 -10.879 -3.264 1.00 35.21 H new ATOM 0 HG3 PRO A 22 -12.855 -10.965 -4.980 1.00 35.21 H new ATOM 0 HD2 PRO A 22 -10.833 -10.827 -3.226 1.00 64.34 H new ATOM 0 HD3 PRO A 22 -10.724 -9.946 -4.737 1.00 64.34 H new ATOM 355 N ASP A 23 -13.806 -8.418 -1.351 1.00 35.10 N ATOM 356 CA ASP A 23 -14.570 -8.057 -0.147 1.00 33.03 C ATOM 357 C ASP A 23 -13.909 -6.897 0.619 1.00 35.32 C ATOM 358 O ASP A 23 -14.567 -5.931 1.010 1.00 54.14 O ATOM 359 CB ASP A 23 -14.697 -9.277 0.774 1.00 5.53 C ATOM 360 CG ASP A 23 -15.500 -10.403 0.145 1.00 2.23 C ATOM 361 OD1 ASP A 23 -14.985 -11.058 -0.788 1.00 72.00 O ATOM 362 OD2 ASP A 23 -16.649 -10.637 0.578 1.00 74.51 O ATOM 0 H ASP A 23 -13.605 -9.415 -1.435 1.00 35.10 H new ATOM 0 HA ASP A 23 -15.559 -7.729 -0.466 1.00 33.03 H new ATOM 0 HB2 ASP A 23 -13.702 -9.642 1.026 1.00 5.53 H new ATOM 0 HB3 ASP A 23 -15.171 -8.975 1.708 1.00 5.53 H new ATOM 367 N GLU A 24 -12.595 -6.989 0.799 1.00 63.43 N ATOM 368 CA GLU A 24 -11.845 -5.985 1.556 1.00 54.11 C ATOM 369 C GLU A 24 -11.725 -4.665 0.776 1.00 74.01 C ATOM 370 O GLU A 24 -11.750 -3.585 1.364 1.00 41.34 O ATOM 371 CB GLU A 24 -10.465 -6.547 1.919 1.00 11.15 C ATOM 372 CG GLU A 24 -10.549 -7.900 2.620 1.00 14.40 C ATOM 373 CD GLU A 24 -9.202 -8.438 3.067 1.00 12.45 C ATOM 374 OE1 GLU A 24 -8.421 -8.884 2.201 1.00 65.22 O ATOM 375 OE2 GLU A 24 -8.935 -8.436 4.288 1.00 42.11 O ATOM 0 H GLU A 24 -12.024 -7.750 0.431 1.00 63.43 H new ATOM 0 HA GLU A 24 -12.388 -5.759 2.474 1.00 54.11 H new ATOM 0 HB2 GLU A 24 -9.868 -6.648 1.013 1.00 11.15 H new ATOM 0 HB3 GLU A 24 -9.947 -5.839 2.565 1.00 11.15 H new ATOM 0 HG2 GLU A 24 -11.201 -7.810 3.489 1.00 14.40 H new ATOM 0 HG3 GLU A 24 -11.013 -8.620 1.947 1.00 14.40 H new ATOM 382 N ILE A 25 -11.613 -4.755 -0.551 1.00 72.23 N ATOM 383 CA ILE A 25 -11.608 -3.558 -1.406 1.00 61.51 C ATOM 384 C ILE A 25 -12.967 -2.836 -1.356 1.00 35.52 C ATOM 385 O ILE A 25 -13.041 -1.608 -1.453 1.00 61.43 O ATOM 386 CB ILE A 25 -11.259 -3.905 -2.876 1.00 41.13 C ATOM 387 CG1 ILE A 25 -9.859 -4.530 -2.950 1.00 13.03 C ATOM 388 CG2 ILE A 25 -11.346 -2.666 -3.771 1.00 22.51 C ATOM 389 CD1 ILE A 25 -9.408 -4.846 -4.358 1.00 50.20 C ATOM 0 H ILE A 25 -11.525 -5.636 -1.057 1.00 72.23 H new ATOM 0 HA ILE A 25 -10.837 -2.894 -1.016 1.00 61.51 H new ATOM 0 HB ILE A 25 -11.988 -4.629 -3.241 1.00 41.13 H new ATOM 0 HG12 ILE A 25 -9.142 -3.848 -2.493 1.00 13.03 H new ATOM 0 HG13 ILE A 25 -9.848 -5.447 -2.360 1.00 13.03 H new ATOM 0 HG21 ILE A 25 -11.096 -2.939 -4.796 1.00 22.51 H new ATOM 0 HG22 ILE A 25 -12.359 -2.265 -3.739 1.00 22.51 H new ATOM 0 HG23 ILE A 25 -10.645 -1.911 -3.416 1.00 22.51 H new ATOM 0 HD11 ILE A 25 -8.411 -5.285 -4.331 1.00 50.20 H new ATOM 0 HD12 ILE A 25 -10.103 -5.552 -4.813 1.00 50.20 H new ATOM 0 HD13 ILE A 25 -9.385 -3.929 -4.947 1.00 50.20 H new ATOM 401 N GLU A 26 -14.042 -3.603 -1.193 1.00 51.12 N ATOM 402 CA GLU A 26 -15.376 -3.021 -1.029 1.00 61.31 C ATOM 403 C GLU A 26 -15.503 -2.335 0.338 1.00 73.42 C ATOM 404 O GLU A 26 -16.003 -1.212 0.439 1.00 30.03 O ATOM 405 CB GLU A 26 -16.469 -4.080 -1.206 1.00 41.53 C ATOM 406 CG GLU A 26 -17.884 -3.522 -1.057 1.00 33.02 C ATOM 407 CD GLU A 26 -18.883 -4.202 -1.974 1.00 42.21 C ATOM 408 OE1 GLU A 26 -19.470 -5.226 -1.577 1.00 11.14 O ATOM 409 OE2 GLU A 26 -19.081 -3.710 -3.107 1.00 1.31 O ATOM 0 H GLU A 26 -14.019 -4.622 -1.171 1.00 51.12 H new ATOM 0 HA GLU A 26 -15.510 -2.269 -1.806 1.00 61.31 H new ATOM 0 HB2 GLU A 26 -16.368 -4.535 -2.191 1.00 41.53 H new ATOM 0 HB3 GLU A 26 -16.320 -4.872 -0.472 1.00 41.53 H new ATOM 0 HG2 GLU A 26 -18.209 -3.639 -0.023 1.00 33.02 H new ATOM 0 HG3 GLU A 26 -17.872 -2.453 -1.269 1.00 33.02 H new ATOM 416 N ALA A 27 -15.037 -3.011 1.388 1.00 41.52 N ATOM 417 CA ALA A 27 -14.931 -2.393 2.714 1.00 70.34 C ATOM 418 C ALA A 27 -14.086 -1.112 2.643 1.00 0.11 C ATOM 419 O ALA A 27 -14.367 -0.120 3.321 1.00 52.25 O ATOM 420 CB ALA A 27 -14.322 -3.380 3.705 1.00 15.25 C ATOM 0 H ALA A 27 -14.728 -3.982 1.349 1.00 41.52 H new ATOM 0 HA ALA A 27 -15.931 -2.126 3.057 1.00 70.34 H new ATOM 0 HB1 ALA A 27 -14.248 -2.911 4.686 1.00 15.25 H new ATOM 0 HB2 ALA A 27 -14.955 -4.265 3.773 1.00 15.25 H new ATOM 0 HB3 ALA A 27 -13.328 -3.670 3.365 1.00 15.25 H new ATOM 426 N LEU A 28 -13.060 -1.145 1.793 1.00 72.51 N ATOM 427 CA LEU A 28 -12.213 0.020 1.534 1.00 23.15 C ATOM 428 C LEU A 28 -13.033 1.193 0.967 1.00 11.20 C ATOM 429 O LEU A 28 -13.127 2.249 1.592 1.00 23.23 O ATOM 430 CB LEU A 28 -11.084 -0.349 0.560 1.00 53.11 C ATOM 431 CG LEU A 28 -10.095 0.784 0.234 1.00 55.21 C ATOM 432 CD1 LEU A 28 -9.311 1.195 1.478 1.00 61.41 C ATOM 433 CD2 LEU A 28 -9.152 0.366 -0.892 1.00 13.50 C ATOM 0 H LEU A 28 -12.793 -1.977 1.266 1.00 72.51 H new ATOM 0 HA LEU A 28 -11.780 0.335 2.483 1.00 23.15 H new ATOM 0 HB2 LEU A 28 -10.526 -1.186 0.979 1.00 53.11 H new ATOM 0 HB3 LEU A 28 -11.530 -0.697 -0.371 1.00 53.11 H new ATOM 0 HG LEU A 28 -10.665 1.649 -0.104 1.00 55.21 H new ATOM 0 HD11 LEU A 28 -8.618 1.997 1.223 1.00 61.41 H new ATOM 0 HD12 LEU A 28 -10.002 1.543 2.245 1.00 61.41 H new ATOM 0 HD13 LEU A 28 -8.752 0.339 1.855 1.00 61.41 H new ATOM 0 HD21 LEU A 28 -8.460 1.180 -1.108 1.00 13.50 H new ATOM 0 HD22 LEU A 28 -8.590 -0.517 -0.587 1.00 13.50 H new ATOM 0 HD23 LEU A 28 -9.732 0.136 -1.786 1.00 13.50 H new ATOM 445 N LYS A 29 -13.652 1.001 -0.202 1.00 74.04 N ATOM 446 CA LYS A 29 -14.431 2.075 -0.845 1.00 23.14 C ATOM 447 C LYS A 29 -15.637 2.512 0.011 1.00 43.00 C ATOM 448 O LYS A 29 -16.302 3.503 -0.293 1.00 20.51 O ATOM 449 CB LYS A 29 -14.889 1.664 -2.254 1.00 13.03 C ATOM 450 CG LYS A 29 -15.800 0.439 -2.307 1.00 3.41 C ATOM 451 CD LYS A 29 -16.187 0.098 -3.748 1.00 44.50 C ATOM 452 CE LYS A 29 -17.081 -1.136 -3.836 1.00 22.54 C ATOM 453 NZ LYS A 29 -18.402 -0.932 -3.184 1.00 52.53 N ATOM 0 H LYS A 29 -13.632 0.123 -0.721 1.00 74.04 H new ATOM 0 HA LYS A 29 -13.766 2.934 -0.935 1.00 23.14 H new ATOM 0 HB2 LYS A 29 -15.411 2.506 -2.710 1.00 13.03 H new ATOM 0 HB3 LYS A 29 -14.007 1.468 -2.863 1.00 13.03 H new ATOM 0 HG2 LYS A 29 -15.295 -0.413 -1.852 1.00 3.41 H new ATOM 0 HG3 LYS A 29 -16.700 0.626 -1.721 1.00 3.41 H new ATOM 0 HD2 LYS A 29 -16.703 0.949 -4.194 1.00 44.50 H new ATOM 0 HD3 LYS A 29 -15.283 -0.069 -4.334 1.00 44.50 H new ATOM 0 HE2 LYS A 29 -17.233 -1.396 -4.884 1.00 22.54 H new ATOM 0 HE3 LYS A 29 -16.575 -1.981 -3.368 1.00 22.54 H new ATOM 0 HZ1 LYS A 29 -18.916 -1.835 -3.151 1.00 52.53 H new ATOM 0 HZ2 LYS A 29 -18.261 -0.579 -2.216 1.00 52.53 H new ATOM 0 HZ3 LYS A 29 -18.954 -0.239 -3.728 1.00 52.53 H new ATOM 467 N SER A 30 -15.914 1.762 1.074 1.00 45.03 N ATOM 468 CA SER A 30 -16.928 2.156 2.060 1.00 72.31 C ATOM 469 C SER A 30 -16.345 3.136 3.097 1.00 14.32 C ATOM 470 O SER A 30 -17.008 4.090 3.510 1.00 25.42 O ATOM 471 CB SER A 30 -17.489 0.915 2.772 1.00 12.13 C ATOM 472 OG SER A 30 -18.474 1.271 3.735 1.00 24.12 O ATOM 0 H SER A 30 -15.452 0.876 1.279 1.00 45.03 H new ATOM 0 HA SER A 30 -17.735 2.660 1.528 1.00 72.31 H new ATOM 0 HB2 SER A 30 -17.924 0.238 2.037 1.00 12.13 H new ATOM 0 HB3 SER A 30 -16.678 0.376 3.261 1.00 12.13 H new ATOM 0 HG SER A 30 -18.814 0.461 4.170 1.00 24.12 H new ATOM 478 N ARG A 31 -15.091 2.901 3.501 1.00 74.43 N ATOM 479 CA ARG A 31 -14.427 3.721 4.534 1.00 23.31 C ATOM 480 C ARG A 31 -13.636 4.905 3.944 1.00 45.01 C ATOM 481 O ARG A 31 -13.032 5.683 4.688 1.00 31.52 O ATOM 482 CB ARG A 31 -13.483 2.844 5.375 1.00 60.52 C ATOM 483 CG ARG A 31 -12.422 2.122 4.550 1.00 25.43 C ATOM 484 CD ARG A 31 -11.456 1.324 5.421 1.00 64.45 C ATOM 485 NE ARG A 31 -10.550 2.184 6.181 1.00 1.12 N ATOM 486 CZ ARG A 31 -9.812 1.776 7.176 1.00 4.32 C ATOM 487 NH1 ARG A 31 -9.913 0.564 7.625 1.00 3.13 N ATOM 488 NH2 ARG A 31 -8.981 2.589 7.737 1.00 21.30 N ATOM 0 H ARG A 31 -14.510 2.149 3.130 1.00 74.43 H new ATOM 0 HA ARG A 31 -15.217 4.138 5.159 1.00 23.31 H new ATOM 0 HB2 ARG A 31 -12.989 3.468 6.120 1.00 60.52 H new ATOM 0 HB3 ARG A 31 -14.074 2.106 5.918 1.00 60.52 H new ATOM 0 HG2 ARG A 31 -12.909 1.451 3.843 1.00 25.43 H new ATOM 0 HG3 ARG A 31 -11.862 2.851 3.964 1.00 25.43 H new ATOM 0 HD2 ARG A 31 -12.024 0.700 6.111 1.00 64.45 H new ATOM 0 HD3 ARG A 31 -10.872 0.653 4.791 1.00 64.45 H new ATOM 0 HE ARG A 31 -10.491 3.167 5.916 1.00 1.12 H new ATOM 0 HH11 ARG A 31 -10.576 -0.084 7.199 1.00 3.13 H new ATOM 0 HH12 ARG A 31 -9.330 0.258 8.404 1.00 3.13 H new ATOM 0 HH21 ARG A 31 -8.902 3.549 7.402 1.00 21.30 H new ATOM 0 HH22 ARG A 31 -8.403 2.271 8.515 1.00 21.30 H new ATOM 502 N VAL A 32 -13.614 5.032 2.618 1.00 43.31 N ATOM 503 CA VAL A 32 -12.932 6.158 1.967 1.00 22.13 C ATOM 504 C VAL A 32 -13.855 7.383 1.851 1.00 32.13 C ATOM 505 O VAL A 32 -15.071 7.242 1.696 1.00 53.01 O ATOM 506 CB VAL A 32 -12.414 5.791 0.546 1.00 24.14 C ATOM 507 CG1 VAL A 32 -11.458 4.603 0.597 1.00 64.12 C ATOM 508 CG2 VAL A 32 -13.576 5.512 -0.410 1.00 42.31 C ATOM 0 H VAL A 32 -14.056 4.376 1.974 1.00 43.31 H new ATOM 0 HA VAL A 32 -12.079 6.398 2.602 1.00 22.13 H new ATOM 0 HB VAL A 32 -11.862 6.650 0.165 1.00 24.14 H new ATOM 0 HG11 VAL A 32 -11.113 4.370 -0.410 1.00 64.12 H new ATOM 0 HG12 VAL A 32 -10.603 4.851 1.225 1.00 64.12 H new ATOM 0 HG13 VAL A 32 -11.975 3.738 1.013 1.00 64.12 H new ATOM 0 HG21 VAL A 32 -13.184 5.258 -1.395 1.00 42.31 H new ATOM 0 HG22 VAL A 32 -14.168 4.680 -0.030 1.00 42.31 H new ATOM 0 HG23 VAL A 32 -14.205 6.399 -0.487 1.00 42.31 H new ATOM 518 N PRO A 33 -13.298 8.605 1.948 1.00 25.50 N ATOM 519 CA PRO A 33 -14.048 9.832 1.643 1.00 21.43 C ATOM 520 C PRO A 33 -14.476 9.871 0.166 1.00 11.41 C ATOM 521 O PRO A 33 -13.667 9.607 -0.722 1.00 3.11 O ATOM 522 CB PRO A 33 -13.046 10.961 1.952 1.00 71.24 C ATOM 523 CG PRO A 33 -12.002 10.331 2.817 1.00 23.31 C ATOM 524 CD PRO A 33 -11.919 8.894 2.378 1.00 5.31 C ATOM 0 HA PRO A 33 -14.969 9.912 2.220 1.00 21.43 H new ATOM 0 HB2 PRO A 33 -12.610 11.362 1.037 1.00 71.24 H new ATOM 0 HB3 PRO A 33 -13.533 11.791 2.464 1.00 71.24 H new ATOM 0 HG2 PRO A 33 -11.041 10.832 2.699 1.00 23.31 H new ATOM 0 HG3 PRO A 33 -12.271 10.403 3.871 1.00 23.31 H new ATOM 0 HD2 PRO A 33 -11.205 8.760 1.565 1.00 5.31 H new ATOM 0 HD3 PRO A 33 -11.603 8.240 3.191 1.00 5.31 H new ATOM 532 N ALA A 34 -15.738 10.214 -0.093 1.00 33.12 N ATOM 533 CA ALA A 34 -16.304 10.174 -1.452 1.00 35.41 C ATOM 534 C ALA A 34 -15.428 10.894 -2.500 1.00 22.21 C ATOM 535 O ALA A 34 -15.383 10.494 -3.664 1.00 42.12 O ATOM 536 CB ALA A 34 -17.707 10.765 -1.446 1.00 53.21 C ATOM 0 H ALA A 34 -16.396 10.525 0.622 1.00 33.12 H new ATOM 0 HA ALA A 34 -16.340 9.125 -1.747 1.00 35.41 H new ATOM 0 HB1 ALA A 34 -18.120 10.732 -2.454 1.00 53.21 H new ATOM 0 HB2 ALA A 34 -18.342 10.187 -0.775 1.00 53.21 H new ATOM 0 HB3 ALA A 34 -17.665 11.799 -1.105 1.00 53.21 H new ATOM 542 N ASN A 35 -14.729 11.949 -2.082 1.00 52.44 N ATOM 543 CA ASN A 35 -13.874 12.726 -2.997 1.00 12.42 C ATOM 544 C ASN A 35 -12.482 12.084 -3.175 1.00 3.15 C ATOM 545 O ASN A 35 -11.794 12.334 -4.165 1.00 73.34 O ATOM 546 CB ASN A 35 -13.730 14.166 -2.484 1.00 12.41 C ATOM 547 CG ASN A 35 -15.076 14.854 -2.321 1.00 41.11 C ATOM 548 OD1 ASN A 35 -15.601 15.451 -3.254 1.00 63.42 O ATOM 549 ND2 ASN A 35 -15.643 14.787 -1.132 1.00 72.13 N ATOM 0 H ASN A 35 -14.734 12.289 -1.120 1.00 52.44 H new ATOM 0 HA ASN A 35 -14.358 12.732 -3.974 1.00 12.42 H new ATOM 0 HB2 ASN A 35 -13.209 14.159 -1.526 1.00 12.41 H new ATOM 0 HB3 ASN A 35 -13.113 14.737 -3.178 1.00 12.41 H new ATOM 0 HD21 ASN A 35 -16.543 15.239 -0.970 1.00 72.13 H new ATOM 0 HD22 ASN A 35 -15.182 14.283 -0.375 1.00 72.13 H new ATOM 556 N THR A 36 -12.080 11.253 -2.218 1.00 12.31 N ATOM 557 CA THR A 36 -10.759 10.603 -2.246 1.00 32.01 C ATOM 558 C THR A 36 -10.810 9.244 -2.957 1.00 13.35 C ATOM 559 O THR A 36 -11.771 8.486 -2.808 1.00 72.02 O ATOM 560 CB THR A 36 -10.207 10.401 -0.811 1.00 22.31 C ATOM 561 OG1 THR A 36 -10.064 11.673 -0.154 1.00 44.43 O ATOM 562 CG2 THR A 36 -8.860 9.679 -0.820 1.00 34.53 C ATOM 0 H THR A 36 -12.648 11.008 -1.407 1.00 12.31 H new ATOM 0 HA THR A 36 -10.096 11.266 -2.801 1.00 32.01 H new ATOM 0 HB THR A 36 -10.921 9.782 -0.268 1.00 22.31 H new ATOM 0 HG1 THR A 36 -9.717 11.536 0.752 1.00 44.43 H new ATOM 0 HG21 THR A 36 -8.506 9.556 0.204 1.00 34.53 H new ATOM 0 HG22 THR A 36 -8.975 8.699 -1.284 1.00 34.53 H new ATOM 0 HG23 THR A 36 -8.137 10.266 -1.386 1.00 34.53 H new ATOM 570 N SER A 37 -9.772 8.935 -3.735 1.00 64.42 N ATOM 571 CA SER A 37 -9.704 7.656 -4.457 1.00 14.32 C ATOM 572 C SER A 37 -9.172 6.527 -3.563 1.00 65.43 C ATOM 573 O SER A 37 -8.552 6.772 -2.526 1.00 3.00 O ATOM 574 CB SER A 37 -8.811 7.784 -5.698 1.00 62.04 C ATOM 575 OG SER A 37 -7.454 7.994 -5.344 1.00 42.03 O ATOM 0 H SER A 37 -8.969 9.546 -3.883 1.00 64.42 H new ATOM 0 HA SER A 37 -10.720 7.405 -4.762 1.00 14.32 H new ATOM 0 HB2 SER A 37 -8.895 6.881 -6.302 1.00 62.04 H new ATOM 0 HB3 SER A 37 -9.160 8.613 -6.314 1.00 62.04 H new ATOM 0 HG SER A 37 -6.912 8.070 -6.157 1.00 42.03 H new ATOM 581 N MET A 38 -9.407 5.282 -3.984 1.00 21.24 N ATOM 582 CA MET A 38 -8.942 4.105 -3.237 1.00 24.12 C ATOM 583 C MET A 38 -7.420 4.138 -3.033 1.00 3.03 C ATOM 584 O MET A 38 -6.927 3.968 -1.919 1.00 71.54 O ATOM 585 CB MET A 38 -9.331 2.820 -3.977 1.00 61.22 C ATOM 586 CG MET A 38 -10.825 2.677 -4.231 1.00 2.33 C ATOM 587 SD MET A 38 -11.221 1.216 -5.212 1.00 63.44 S ATOM 588 CE MET A 38 -12.995 1.399 -5.396 1.00 14.55 C ATOM 0 H MET A 38 -9.917 5.060 -4.839 1.00 21.24 H new ATOM 0 HA MET A 38 -9.422 4.123 -2.258 1.00 24.12 H new ATOM 0 HB2 MET A 38 -8.807 2.791 -4.932 1.00 61.22 H new ATOM 0 HB3 MET A 38 -8.988 1.962 -3.398 1.00 61.22 H new ATOM 0 HG2 MET A 38 -11.349 2.623 -3.277 1.00 2.33 H new ATOM 0 HG3 MET A 38 -11.190 3.566 -4.745 1.00 2.33 H new ATOM 0 HE1 MET A 38 -13.496 0.527 -4.977 1.00 14.55 H new ATOM 0 HE2 MET A 38 -13.325 2.295 -4.870 1.00 14.55 H new ATOM 0 HE3 MET A 38 -13.244 1.487 -6.454 1.00 14.55 H new ATOM 598 N SER A 39 -6.683 4.371 -4.120 1.00 24.21 N ATOM 599 CA SER A 39 -5.213 4.430 -4.073 1.00 74.42 C ATOM 600 C SER A 39 -4.722 5.570 -3.168 1.00 10.11 C ATOM 601 O SER A 39 -3.787 5.394 -2.381 1.00 62.41 O ATOM 602 CB SER A 39 -4.642 4.614 -5.486 1.00 33.02 C ATOM 603 OG SER A 39 -5.118 5.813 -6.082 1.00 13.12 O ATOM 0 H SER A 39 -7.077 4.523 -5.048 1.00 24.21 H new ATOM 0 HA SER A 39 -4.861 3.487 -3.656 1.00 74.42 H new ATOM 0 HB2 SER A 39 -3.553 4.635 -5.441 1.00 33.02 H new ATOM 0 HB3 SER A 39 -4.919 3.762 -6.107 1.00 33.02 H new ATOM 0 HG SER A 39 -4.737 5.905 -6.980 1.00 13.12 H new ATOM 609 N ALA A 40 -5.356 6.738 -3.282 1.00 14.42 N ATOM 610 CA ALA A 40 -5.008 7.896 -2.451 1.00 14.33 C ATOM 611 C ALA A 40 -5.255 7.615 -0.961 1.00 33.44 C ATOM 612 O ALA A 40 -4.523 8.101 -0.095 1.00 51.12 O ATOM 613 CB ALA A 40 -5.794 9.125 -2.900 1.00 74.14 C ATOM 0 H ALA A 40 -6.115 6.909 -3.942 1.00 14.42 H new ATOM 0 HA ALA A 40 -3.943 8.091 -2.579 1.00 14.33 H new ATOM 0 HB1 ALA A 40 -5.526 9.977 -2.275 1.00 74.14 H new ATOM 0 HB2 ALA A 40 -5.556 9.349 -3.940 1.00 74.14 H new ATOM 0 HB3 ALA A 40 -6.862 8.928 -2.806 1.00 74.14 H new ATOM 619 N TYR A 41 -6.288 6.826 -0.665 1.00 11.42 N ATOM 620 CA TYR A 41 -6.592 6.439 0.718 1.00 41.04 C ATOM 621 C TYR A 41 -5.612 5.362 1.219 1.00 25.42 C ATOM 622 O TYR A 41 -5.137 5.426 2.352 1.00 2.53 O ATOM 623 CB TYR A 41 -8.037 5.939 0.830 1.00 4.34 C ATOM 624 CG TYR A 41 -8.489 5.674 2.257 1.00 2.14 C ATOM 625 CD1 TYR A 41 -8.814 6.723 3.113 1.00 52.51 C ATOM 626 CD2 TYR A 41 -8.593 4.377 2.748 1.00 35.54 C ATOM 627 CE1 TYR A 41 -9.229 6.485 4.411 1.00 4.32 C ATOM 628 CE2 TYR A 41 -9.009 4.133 4.042 1.00 3.44 C ATOM 629 CZ TYR A 41 -9.324 5.187 4.870 1.00 14.21 C ATOM 630 OH TYR A 41 -9.738 4.941 6.164 1.00 73.35 O ATOM 0 H TYR A 41 -6.928 6.442 -1.360 1.00 11.42 H new ATOM 0 HA TYR A 41 -6.477 7.321 1.348 1.00 41.04 H new ATOM 0 HB2 TYR A 41 -8.702 6.676 0.380 1.00 4.34 H new ATOM 0 HB3 TYR A 41 -8.139 5.021 0.251 1.00 4.34 H new ATOM 0 HD1 TYR A 41 -8.741 7.740 2.757 1.00 52.51 H new ATOM 0 HD2 TYR A 41 -8.344 3.545 2.106 1.00 35.54 H new ATOM 0 HE1 TYR A 41 -9.477 7.310 5.062 1.00 4.32 H new ATOM 0 HE2 TYR A 41 -9.087 3.118 4.403 1.00 3.44 H new ATOM 0 HH TYR A 41 -10.690 5.159 6.250 1.00 73.35 H new ATOM 640 N ILE A 42 -5.309 4.375 0.370 1.00 61.22 N ATOM 641 CA ILE A 42 -4.297 3.359 0.697 1.00 11.42 C ATOM 642 C ILE A 42 -2.949 4.024 1.015 1.00 52.44 C ATOM 643 O ILE A 42 -2.193 3.551 1.864 1.00 30.32 O ATOM 644 CB ILE A 42 -4.109 2.333 -0.456 1.00 61.30 C ATOM 645 CG1 ILE A 42 -5.392 1.511 -0.665 1.00 62.40 C ATOM 646 CG2 ILE A 42 -2.920 1.408 -0.181 1.00 14.52 C ATOM 647 CD1 ILE A 42 -5.754 0.629 0.513 1.00 75.24 C ATOM 0 H ILE A 42 -5.746 4.256 -0.544 1.00 61.22 H new ATOM 0 HA ILE A 42 -4.657 2.821 1.574 1.00 11.42 H new ATOM 0 HB ILE A 42 -3.901 2.890 -1.370 1.00 61.30 H new ATOM 0 HG12 ILE A 42 -6.220 2.192 -0.865 1.00 62.40 H new ATOM 0 HG13 ILE A 42 -5.272 0.887 -1.550 1.00 62.40 H new ATOM 0 HG21 ILE A 42 -2.812 0.701 -1.003 1.00 14.52 H new ATOM 0 HG22 ILE A 42 -2.010 2.002 -0.091 1.00 14.52 H new ATOM 0 HG23 ILE A 42 -3.091 0.862 0.747 1.00 14.52 H new ATOM 0 HD11 ILE A 42 -6.670 0.081 0.290 1.00 75.24 H new ATOM 0 HD12 ILE A 42 -4.945 -0.077 0.701 1.00 75.24 H new ATOM 0 HD13 ILE A 42 -5.908 1.248 1.397 1.00 75.24 H new ATOM 659 N ARG A 43 -2.669 5.132 0.331 1.00 34.24 N ATOM 660 CA ARG A 43 -1.472 5.933 0.600 1.00 51.32 C ATOM 661 C ARG A 43 -1.366 6.291 2.093 1.00 55.13 C ATOM 662 O ARG A 43 -0.383 5.956 2.752 1.00 53.23 O ATOM 663 CB ARG A 43 -1.494 7.214 -0.246 1.00 24.04 C ATOM 664 CG ARG A 43 -0.295 8.132 -0.021 1.00 1.23 C ATOM 665 CD ARG A 43 -0.445 9.456 -0.767 1.00 23.44 C ATOM 666 NE ARG A 43 -1.636 10.194 -0.340 1.00 31.32 N ATOM 667 CZ ARG A 43 -1.821 11.475 -0.535 1.00 74.14 C ATOM 668 NH1 ARG A 43 -0.913 12.195 -1.115 1.00 13.50 N ATOM 669 NH2 ARG A 43 -2.908 12.040 -0.124 1.00 51.23 N ATOM 0 H ARG A 43 -3.257 5.498 -0.418 1.00 34.24 H new ATOM 0 HA ARG A 43 -0.600 5.338 0.331 1.00 51.32 H new ATOM 0 HB2 ARG A 43 -1.535 6.939 -1.300 1.00 24.04 H new ATOM 0 HB3 ARG A 43 -2.407 7.767 -0.025 1.00 24.04 H new ATOM 0 HG2 ARG A 43 -0.182 8.327 1.045 1.00 1.23 H new ATOM 0 HG3 ARG A 43 0.614 7.630 -0.352 1.00 1.23 H new ATOM 0 HD2 ARG A 43 0.441 10.069 -0.600 1.00 23.44 H new ATOM 0 HD3 ARG A 43 -0.502 9.264 -1.838 1.00 23.44 H new ATOM 0 HE ARG A 43 -2.370 9.675 0.141 1.00 31.32 H new ATOM 0 HH11 ARG A 43 -0.042 11.764 -1.425 1.00 13.50 H new ATOM 0 HH12 ARG A 43 -1.069 13.192 -1.261 1.00 13.50 H new ATOM 0 HH21 ARG A 43 -3.621 11.488 0.352 1.00 51.23 H new ATOM 0 HH22 ARG A 43 -3.053 13.038 -0.276 1.00 51.23 H new ATOM 683 N ARG A 44 -2.390 6.952 2.631 1.00 61.41 N ATOM 684 CA ARG A 44 -2.372 7.366 4.041 1.00 20.42 C ATOM 685 C ARG A 44 -2.472 6.160 4.993 1.00 51.50 C ATOM 686 O ARG A 44 -2.197 6.282 6.186 1.00 10.23 O ATOM 687 CB ARG A 44 -3.486 8.382 4.329 1.00 34.24 C ATOM 688 CG ARG A 44 -4.899 7.867 4.087 1.00 24.24 C ATOM 689 CD ARG A 44 -5.942 8.952 4.340 1.00 42.11 C ATOM 690 NE ARG A 44 -5.881 9.463 5.709 1.00 1.25 N ATOM 691 CZ ARG A 44 -6.003 10.724 6.035 1.00 22.05 C ATOM 692 NH1 ARG A 44 -6.180 11.631 5.123 1.00 14.32 N ATOM 693 NH2 ARG A 44 -5.945 11.079 7.276 1.00 10.22 N ATOM 0 H ARG A 44 -3.235 7.212 2.122 1.00 61.41 H new ATOM 0 HA ARG A 44 -1.412 7.848 4.225 1.00 20.42 H new ATOM 0 HB2 ARG A 44 -3.405 8.704 5.367 1.00 34.24 H new ATOM 0 HB3 ARG A 44 -3.324 9.263 3.708 1.00 34.24 H new ATOM 0 HG2 ARG A 44 -4.986 7.510 3.061 1.00 24.24 H new ATOM 0 HG3 ARG A 44 -5.093 7.015 4.739 1.00 24.24 H new ATOM 0 HD2 ARG A 44 -5.788 9.773 3.640 1.00 42.11 H new ATOM 0 HD3 ARG A 44 -6.937 8.550 4.147 1.00 42.11 H new ATOM 0 HE ARG A 44 -5.733 8.790 6.461 1.00 1.25 H new ATOM 0 HH11 ARG A 44 -6.225 11.364 4.140 1.00 14.32 H new ATOM 0 HH12 ARG A 44 -6.274 12.611 5.390 1.00 14.32 H new ATOM 0 HH21 ARG A 44 -5.804 10.376 8.001 1.00 10.22 H new ATOM 0 HH22 ARG A 44 -6.040 12.062 7.530 1.00 10.22 H new ATOM 707 N ILE A 45 -2.872 5.003 4.466 1.00 34.40 N ATOM 708 CA ILE A 45 -2.863 3.758 5.245 1.00 11.24 C ATOM 709 C ILE A 45 -1.431 3.222 5.409 1.00 13.32 C ATOM 710 O ILE A 45 -0.966 2.983 6.527 1.00 21.12 O ATOM 711 CB ILE A 45 -3.749 2.660 4.593 1.00 60.24 C ATOM 712 CG1 ILE A 45 -5.232 3.066 4.634 1.00 43.54 C ATOM 713 CG2 ILE A 45 -3.536 1.303 5.273 1.00 63.54 C ATOM 714 CD1 ILE A 45 -6.166 2.015 4.068 1.00 65.35 C ATOM 0 H ILE A 45 -3.205 4.898 3.508 1.00 34.40 H new ATOM 0 HA ILE A 45 -3.275 3.999 6.225 1.00 11.24 H new ATOM 0 HB ILE A 45 -3.450 2.560 3.550 1.00 60.24 H new ATOM 0 HG12 ILE A 45 -5.515 3.273 5.666 1.00 43.54 H new ATOM 0 HG13 ILE A 45 -5.362 3.993 4.076 1.00 43.54 H new ATOM 0 HG21 ILE A 45 -4.168 0.554 4.796 1.00 63.54 H new ATOM 0 HG22 ILE A 45 -2.491 1.009 5.178 1.00 63.54 H new ATOM 0 HG23 ILE A 45 -3.797 1.380 6.328 1.00 63.54 H new ATOM 0 HD11 ILE A 45 -7.194 2.371 4.130 1.00 65.35 H new ATOM 0 HD12 ILE A 45 -5.910 1.824 3.026 1.00 65.35 H new ATOM 0 HD13 ILE A 45 -6.066 1.093 4.641 1.00 65.35 H new ATOM 726 N ILE A 46 -0.732 3.036 4.289 1.00 74.51 N ATOM 727 CA ILE A 46 0.635 2.505 4.315 1.00 65.01 C ATOM 728 C ILE A 46 1.618 3.493 4.964 1.00 34.43 C ATOM 729 O ILE A 46 2.509 3.083 5.705 1.00 71.04 O ATOM 730 CB ILE A 46 1.137 2.120 2.896 1.00 14.53 C ATOM 731 CG1 ILE A 46 1.140 3.341 1.960 1.00 42.21 C ATOM 732 CG2 ILE A 46 0.280 0.991 2.316 1.00 43.31 C ATOM 733 CD1 ILE A 46 1.683 3.052 0.577 1.00 50.55 C ATOM 0 H ILE A 46 -1.086 3.244 3.355 1.00 74.51 H new ATOM 0 HA ILE A 46 0.599 1.601 4.923 1.00 65.01 H new ATOM 0 HB ILE A 46 2.164 1.765 2.982 1.00 14.53 H new ATOM 0 HG12 ILE A 46 0.122 3.719 1.868 1.00 42.21 H new ATOM 0 HG13 ILE A 46 1.734 4.134 2.415 1.00 42.21 H new ATOM 0 HG21 ILE A 46 0.644 0.732 1.322 1.00 43.31 H new ATOM 0 HG22 ILE A 46 0.343 0.117 2.964 1.00 43.31 H new ATOM 0 HG23 ILE A 46 -0.757 1.319 2.249 1.00 43.31 H new ATOM 0 HD11 ILE A 46 1.652 3.961 -0.023 1.00 50.55 H new ATOM 0 HD12 ILE A 46 2.713 2.704 0.656 1.00 50.55 H new ATOM 0 HD13 ILE A 46 1.075 2.282 0.101 1.00 50.55 H new ATOM 745 N LEU A 47 1.439 4.791 4.699 1.00 4.21 N ATOM 746 CA LEU A 47 2.296 5.837 5.283 1.00 21.41 C ATOM 747 C LEU A 47 2.425 5.683 6.804 1.00 62.12 C ATOM 748 O LEU A 47 3.532 5.607 7.331 1.00 32.41 O ATOM 749 CB LEU A 47 1.749 7.234 4.935 1.00 25.35 C ATOM 750 CG LEU A 47 2.422 7.934 3.737 1.00 3.11 C ATOM 751 CD1 LEU A 47 2.432 7.038 2.500 1.00 43.44 C ATOM 752 CD2 LEU A 47 1.724 9.259 3.435 1.00 55.44 C ATOM 0 H LEU A 47 0.708 5.147 4.083 1.00 4.21 H new ATOM 0 HA LEU A 47 3.291 5.724 4.853 1.00 21.41 H new ATOM 0 HB2 LEU A 47 0.682 7.146 4.729 1.00 25.35 H new ATOM 0 HB3 LEU A 47 1.852 7.874 5.812 1.00 25.35 H new ATOM 0 HG LEU A 47 3.459 8.136 4.007 1.00 3.11 H new ATOM 0 HD11 LEU A 47 2.913 7.563 1.675 1.00 43.44 H new ATOM 0 HD12 LEU A 47 2.982 6.123 2.718 1.00 43.44 H new ATOM 0 HD13 LEU A 47 1.408 6.789 2.223 1.00 43.44 H new ATOM 0 HD21 LEU A 47 2.210 9.741 2.587 1.00 55.44 H new ATOM 0 HD22 LEU A 47 0.677 9.072 3.195 1.00 55.44 H new ATOM 0 HD23 LEU A 47 1.786 9.910 4.307 1.00 55.44 H new ATOM 764 N ASN A 48 1.288 5.605 7.492 1.00 72.03 N ATOM 765 CA ASN A 48 1.262 5.441 8.957 1.00 1.21 C ATOM 766 C ASN A 48 2.186 4.305 9.437 1.00 33.43 C ATOM 767 O ASN A 48 2.691 4.335 10.558 1.00 33.30 O ATOM 768 CB ASN A 48 -0.173 5.170 9.423 1.00 53.54 C ATOM 769 CG ASN A 48 -1.100 6.354 9.204 1.00 74.23 C ATOM 770 OD1 ASN A 48 -0.856 7.210 8.359 1.00 53.21 O ATOM 771 ND2 ASN A 48 -2.179 6.412 9.958 1.00 71.42 N ATOM 0 H ASN A 48 0.364 5.652 7.062 1.00 72.03 H new ATOM 0 HA ASN A 48 1.631 6.369 9.394 1.00 1.21 H new ATOM 0 HB2 ASN A 48 -0.565 4.304 8.889 1.00 53.54 H new ATOM 0 HB3 ASN A 48 -0.163 4.914 10.482 1.00 53.54 H new ATOM 0 HD21 ASN A 48 -2.838 7.183 9.847 1.00 71.42 H new ATOM 0 HD22 ASN A 48 -2.356 5.686 10.652 1.00 71.42 H new ATOM 778 N HIS A 49 2.398 3.309 8.582 1.00 72.21 N ATOM 779 CA HIS A 49 3.267 2.176 8.905 1.00 44.02 C ATOM 780 C HIS A 49 4.699 2.399 8.371 1.00 13.23 C ATOM 781 O HIS A 49 5.676 1.977 8.992 1.00 50.12 O ATOM 782 CB HIS A 49 2.665 0.892 8.315 1.00 42.23 C ATOM 783 CG HIS A 49 3.388 -0.362 8.703 1.00 74.25 C ATOM 784 ND1 HIS A 49 3.015 -1.145 9.772 1.00 73.20 N ATOM 785 CD2 HIS A 49 4.450 -0.984 8.142 1.00 70.33 C ATOM 786 CE1 HIS A 49 3.818 -2.184 9.857 1.00 34.33 C ATOM 787 NE2 HIS A 49 4.694 -2.113 8.880 1.00 44.20 N ATOM 0 H HIS A 49 1.978 3.262 7.654 1.00 72.21 H new ATOM 0 HA HIS A 49 3.334 2.082 9.989 1.00 44.02 H new ATOM 0 HB2 HIS A 49 1.626 0.812 8.634 1.00 42.23 H new ATOM 0 HB3 HIS A 49 2.660 0.973 7.228 1.00 42.23 H new ATOM 0 HD2 HIS A 49 5.002 -0.653 7.275 1.00 70.33 H new ATOM 0 HE1 HIS A 49 3.766 -2.963 10.603 1.00 34.33 H new ATOM 0 HE2 HIS A 49 5.436 -2.789 8.700 1.00 44.20 H new ATOM 796 N LEU A 50 4.815 3.066 7.220 1.00 34.00 N ATOM 797 CA LEU A 50 6.121 3.332 6.593 1.00 35.33 C ATOM 798 C LEU A 50 6.909 4.417 7.343 1.00 4.14 C ATOM 799 O LEU A 50 8.050 4.188 7.754 1.00 34.12 O ATOM 800 CB LEU A 50 5.939 3.726 5.115 1.00 11.12 C ATOM 801 CG LEU A 50 5.955 2.559 4.108 1.00 60.13 C ATOM 802 CD1 LEU A 50 7.317 1.872 4.113 1.00 4.31 C ATOM 803 CD2 LEU A 50 4.845 1.552 4.409 1.00 23.32 C ATOM 0 H LEU A 50 4.020 3.435 6.698 1.00 34.00 H new ATOM 0 HA LEU A 50 6.701 2.411 6.647 1.00 35.33 H new ATOM 0 HB2 LEU A 50 4.993 4.257 5.013 1.00 11.12 H new ATOM 0 HB3 LEU A 50 6.729 4.427 4.844 1.00 11.12 H new ATOM 0 HG LEU A 50 5.773 2.969 3.115 1.00 60.13 H new ATOM 0 HD11 LEU A 50 7.313 1.050 3.397 1.00 4.31 H new ATOM 0 HD12 LEU A 50 8.088 2.591 3.836 1.00 4.31 H new ATOM 0 HD13 LEU A 50 7.525 1.483 5.110 1.00 4.31 H new ATOM 0 HD21 LEU A 50 4.882 0.741 3.682 1.00 23.32 H new ATOM 0 HD22 LEU A 50 4.983 1.147 5.412 1.00 23.32 H new ATOM 0 HD23 LEU A 50 3.877 2.049 4.349 1.00 23.32 H new ATOM 815 N GLU A 51 6.305 5.594 7.527 1.00 62.31 N ATOM 816 CA GLU A 51 6.950 6.672 8.285 1.00 31.23 C ATOM 817 C GLU A 51 7.196 6.247 9.743 1.00 72.44 C ATOM 818 O GLU A 51 7.986 6.866 10.458 1.00 64.45 O ATOM 819 CB GLU A 51 6.119 7.967 8.239 1.00 73.14 C ATOM 820 CG GLU A 51 4.765 7.874 8.935 1.00 65.35 C ATOM 821 CD GLU A 51 4.058 9.219 9.028 1.00 2.25 C ATOM 822 OE1 GLU A 51 4.319 9.964 10.000 1.00 4.33 O ATOM 823 OE2 GLU A 51 3.241 9.541 8.139 1.00 53.11 O ATOM 0 H GLU A 51 5.379 5.825 7.166 1.00 62.31 H new ATOM 0 HA GLU A 51 7.912 6.871 7.814 1.00 31.23 H new ATOM 0 HB2 GLU A 51 6.695 8.770 8.698 1.00 73.14 H new ATOM 0 HB3 GLU A 51 5.960 8.245 7.197 1.00 73.14 H new ATOM 0 HG2 GLU A 51 4.131 7.172 8.394 1.00 65.35 H new ATOM 0 HG3 GLU A 51 4.904 7.471 9.938 1.00 65.35 H new ATOM 830 N ASP A 52 6.509 5.190 10.177 1.00 61.15 N ATOM 831 CA ASP A 52 6.751 4.595 11.491 1.00 41.04 C ATOM 832 C ASP A 52 8.042 3.752 11.471 1.00 62.24 C ATOM 833 O ASP A 52 8.898 3.874 12.350 1.00 21.22 O ATOM 834 CB ASP A 52 5.552 3.735 11.906 1.00 54.12 C ATOM 835 CG ASP A 52 5.640 3.279 13.350 1.00 41.43 C ATOM 836 OD1 ASP A 52 5.601 4.148 14.246 1.00 11.13 O ATOM 837 OD2 ASP A 52 5.732 2.059 13.599 1.00 22.33 O ATOM 0 H ASP A 52 5.779 4.727 9.636 1.00 61.15 H new ATOM 0 HA ASP A 52 6.877 5.394 12.221 1.00 41.04 H new ATOM 0 HB2 ASP A 52 4.633 4.304 11.763 1.00 54.12 H new ATOM 0 HB3 ASP A 52 5.491 2.863 11.255 1.00 54.12 H new ATOM 1022 N ASP B 212 -8.766 -14.926 -7.167 1.00 10.02 N ATOM 1023 CA ASP B 212 -9.578 -14.326 -6.104 1.00 35.42 C ATOM 1024 C ASP B 212 -8.978 -12.995 -5.613 1.00 50.13 C ATOM 1025 O ASP B 212 -9.469 -12.396 -4.655 1.00 64.41 O ATOM 1026 CB ASP B 212 -9.699 -15.317 -4.943 1.00 13.24 C ATOM 1027 CG ASP B 212 -8.344 -15.702 -4.377 1.00 63.20 C ATOM 1028 OD1 ASP B 212 -7.540 -16.319 -5.109 1.00 51.35 O ATOM 1029 OD2 ASP B 212 -8.074 -15.399 -3.200 1.00 21.31 O ATOM 0 HA ASP B 212 -10.567 -14.106 -6.507 1.00 35.42 H new ATOM 0 HB2 ASP B 212 -10.309 -14.878 -4.154 1.00 13.24 H new ATOM 0 HB3 ASP B 212 -10.217 -16.213 -5.285 1.00 13.24 H new ATOM 1034 N THR B 213 -7.919 -12.534 -6.279 1.00 71.24 N ATOM 1035 CA THR B 213 -7.256 -11.276 -5.908 1.00 63.41 C ATOM 1036 C THR B 213 -7.494 -10.178 -6.953 1.00 72.13 C ATOM 1037 O THR B 213 -7.701 -10.457 -8.139 1.00 2.42 O ATOM 1038 CB THR B 213 -5.728 -11.459 -5.736 1.00 52.41 C ATOM 1039 OG1 THR B 213 -5.110 -11.746 -7.001 1.00 54.34 O ATOM 1040 CG2 THR B 213 -5.416 -12.582 -4.751 1.00 21.44 C ATOM 0 H THR B 213 -7.500 -13.010 -7.078 1.00 71.24 H new ATOM 0 HA THR B 213 -7.696 -10.977 -4.957 1.00 63.41 H new ATOM 0 HB THR B 213 -5.326 -10.526 -5.341 1.00 52.41 H new ATOM 0 HG1 THR B 213 -4.416 -12.428 -6.879 1.00 54.34 H new ATOM 0 HG21 THR B 213 -4.336 -12.688 -4.650 1.00 21.44 H new ATOM 0 HG22 THR B 213 -5.850 -12.345 -3.780 1.00 21.44 H new ATOM 0 HG23 THR B 213 -5.839 -13.517 -5.119 1.00 21.44 H new ATOM 1048 N LYS B 214 -7.473 -8.928 -6.503 1.00 14.15 N ATOM 1049 CA LYS B 214 -7.616 -7.771 -7.391 1.00 31.33 C ATOM 1050 C LYS B 214 -6.363 -6.878 -7.325 1.00 4.14 C ATOM 1051 O LYS B 214 -5.879 -6.557 -6.237 1.00 0.32 O ATOM 1052 CB LYS B 214 -8.854 -6.952 -6.999 1.00 55.04 C ATOM 1053 CG LYS B 214 -10.169 -7.725 -7.060 1.00 73.23 C ATOM 1054 CD LYS B 214 -10.569 -8.085 -8.491 1.00 12.20 C ATOM 1055 CE LYS B 214 -10.868 -6.850 -9.334 1.00 24.14 C ATOM 1056 NZ LYS B 214 -11.370 -7.212 -10.686 1.00 53.13 N ATOM 0 H LYS B 214 -7.357 -8.685 -5.519 1.00 14.15 H new ATOM 0 HA LYS B 214 -7.734 -8.136 -8.411 1.00 31.33 H new ATOM 0 HB2 LYS B 214 -8.717 -6.572 -5.987 1.00 55.04 H new ATOM 0 HB3 LYS B 214 -8.925 -6.086 -7.658 1.00 55.04 H new ATOM 0 HG2 LYS B 214 -10.078 -8.638 -6.471 1.00 73.23 H new ATOM 0 HG3 LYS B 214 -10.959 -7.128 -6.604 1.00 73.23 H new ATOM 0 HD2 LYS B 214 -9.766 -8.656 -8.958 1.00 12.20 H new ATOM 0 HD3 LYS B 214 -11.448 -8.729 -8.469 1.00 12.20 H new ATOM 0 HE2 LYS B 214 -11.608 -6.233 -8.825 1.00 24.14 H new ATOM 0 HE3 LYS B 214 -9.964 -6.249 -9.431 1.00 24.14 H new ATOM 0 HZ1 LYS B 214 -11.562 -6.346 -11.229 1.00 53.13 H new ATOM 0 HZ2 LYS B 214 -10.653 -7.780 -11.182 1.00 53.13 H new ATOM 0 HZ3 LYS B 214 -12.246 -7.764 -10.594 1.00 53.13 H new ATOM 1070 N PRO B 215 -5.814 -6.470 -8.486 1.00 11.30 N ATOM 1071 CA PRO B 215 -4.606 -5.629 -8.534 1.00 10.25 C ATOM 1072 C PRO B 215 -4.878 -4.150 -8.186 1.00 31.13 C ATOM 1073 O PRO B 215 -5.503 -3.414 -8.958 1.00 45.22 O ATOM 1074 CB PRO B 215 -4.146 -5.777 -9.989 1.00 62.13 C ATOM 1075 CG PRO B 215 -5.402 -6.020 -10.755 1.00 54.32 C ATOM 1076 CD PRO B 215 -6.311 -6.801 -9.839 1.00 44.43 C ATOM 0 HA PRO B 215 -3.864 -5.939 -7.798 1.00 10.25 H new ATOM 0 HB2 PRO B 215 -3.636 -4.879 -10.337 1.00 62.13 H new ATOM 0 HB3 PRO B 215 -3.446 -6.605 -10.102 1.00 62.13 H new ATOM 0 HG2 PRO B 215 -5.865 -5.079 -11.052 1.00 54.32 H new ATOM 0 HG3 PRO B 215 -5.198 -6.578 -11.669 1.00 54.32 H new ATOM 0 HD2 PRO B 215 -7.354 -6.509 -9.965 1.00 44.43 H new ATOM 0 HD3 PRO B 215 -6.254 -7.872 -10.036 1.00 44.43 H new ATOM 1084 N VAL B 216 -4.416 -3.726 -7.013 1.00 2.22 N ATOM 1085 CA VAL B 216 -4.558 -2.332 -6.573 1.00 61.32 C ATOM 1086 C VAL B 216 -3.273 -1.532 -6.835 1.00 75.33 C ATOM 1087 O VAL B 216 -2.211 -1.855 -6.300 1.00 54.23 O ATOM 1088 CB VAL B 216 -4.908 -2.247 -5.064 1.00 22.23 C ATOM 1089 CG1 VAL B 216 -5.090 -0.792 -4.626 1.00 35.02 C ATOM 1090 CG2 VAL B 216 -6.156 -3.071 -4.754 1.00 2.01 C ATOM 0 H VAL B 216 -3.937 -4.328 -6.343 1.00 2.22 H new ATOM 0 HA VAL B 216 -5.374 -1.901 -7.153 1.00 61.32 H new ATOM 0 HB VAL B 216 -4.076 -2.665 -4.498 1.00 22.23 H new ATOM 0 HG11 VAL B 216 -5.335 -0.760 -3.564 1.00 35.02 H new ATOM 0 HG12 VAL B 216 -4.166 -0.241 -4.803 1.00 35.02 H new ATOM 0 HG13 VAL B 216 -5.899 -0.338 -5.199 1.00 35.02 H new ATOM 0 HG21 VAL B 216 -6.385 -2.999 -3.691 1.00 2.01 H new ATOM 0 HG22 VAL B 216 -6.997 -2.690 -5.333 1.00 2.01 H new ATOM 0 HG23 VAL B 216 -5.978 -4.114 -5.017 1.00 2.01 H new ATOM 1100 N VAL B 217 -3.369 -0.489 -7.658 1.00 15.32 N ATOM 1101 CA VAL B 217 -2.211 0.359 -7.964 1.00 21.33 C ATOM 1102 C VAL B 217 -1.980 1.412 -6.862 1.00 42.13 C ATOM 1103 O VAL B 217 -2.738 2.374 -6.723 1.00 43.51 O ATOM 1104 CB VAL B 217 -2.349 1.045 -9.355 1.00 32.32 C ATOM 1105 CG1 VAL B 217 -3.637 1.863 -9.453 1.00 71.52 C ATOM 1106 CG2 VAL B 217 -1.123 1.909 -9.654 1.00 4.52 C ATOM 0 H VAL B 217 -4.232 -0.209 -8.125 1.00 15.32 H new ATOM 0 HA VAL B 217 -1.339 -0.295 -8.000 1.00 21.33 H new ATOM 0 HB VAL B 217 -2.406 0.260 -10.109 1.00 32.32 H new ATOM 0 HG11 VAL B 217 -3.699 2.327 -10.437 1.00 71.52 H new ATOM 0 HG12 VAL B 217 -4.496 1.208 -9.306 1.00 71.52 H new ATOM 0 HG13 VAL B 217 -3.635 2.638 -8.686 1.00 71.52 H new ATOM 0 HG21 VAL B 217 -1.239 2.380 -10.630 1.00 4.52 H new ATOM 0 HG22 VAL B 217 -1.025 2.679 -8.889 1.00 4.52 H new ATOM 0 HG23 VAL B 217 -0.230 1.285 -9.656 1.00 4.52 H new ATOM 1116 N VAL B 218 -0.940 1.205 -6.064 1.00 24.24 N ATOM 1117 CA VAL B 218 -0.596 2.122 -4.969 1.00 54.25 C ATOM 1118 C VAL B 218 0.636 2.971 -5.334 1.00 15.42 C ATOM 1119 O VAL B 218 1.418 2.598 -6.206 1.00 52.11 O ATOM 1120 CB VAL B 218 -0.310 1.329 -3.664 1.00 72.24 C ATOM 1121 CG1 VAL B 218 -0.126 2.269 -2.472 1.00 15.03 C ATOM 1122 CG2 VAL B 218 -1.421 0.313 -3.393 1.00 2.55 C ATOM 0 H VAL B 218 -0.312 0.406 -6.151 1.00 24.24 H new ATOM 0 HA VAL B 218 -1.447 2.784 -4.807 1.00 54.25 H new ATOM 0 HB VAL B 218 0.624 0.784 -3.802 1.00 72.24 H new ATOM 0 HG11 VAL B 218 0.073 1.684 -1.574 1.00 15.03 H new ATOM 0 HG12 VAL B 218 0.713 2.938 -2.662 1.00 15.03 H new ATOM 0 HG13 VAL B 218 -1.033 2.857 -2.329 1.00 15.03 H new ATOM 0 HG21 VAL B 218 -1.200 -0.231 -2.475 1.00 2.55 H new ATOM 0 HG22 VAL B 218 -2.372 0.834 -3.286 1.00 2.55 H new ATOM 0 HG23 VAL B 218 -1.483 -0.389 -4.225 1.00 2.55 H new ATOM 1132 N ARG B 219 0.797 4.123 -4.681 1.00 5.14 N ATOM 1133 CA ARG B 219 1.975 4.980 -4.891 1.00 52.05 C ATOM 1134 C ARG B 219 2.629 5.364 -3.555 1.00 4.22 C ATOM 1135 O ARG B 219 1.995 5.980 -2.695 1.00 55.10 O ATOM 1136 CB ARG B 219 1.593 6.250 -5.669 1.00 23.52 C ATOM 1137 CG ARG B 219 1.158 5.988 -7.108 1.00 60.45 C ATOM 1138 CD ARG B 219 0.912 7.287 -7.871 1.00 44.15 C ATOM 1139 NE ARG B 219 2.091 8.154 -7.878 1.00 12.01 N ATOM 1140 CZ ARG B 219 2.286 9.134 -8.717 1.00 22.00 C ATOM 1141 NH1 ARG B 219 1.416 9.409 -9.634 1.00 41.44 N ATOM 1142 NH2 ARG B 219 3.364 9.838 -8.636 1.00 73.25 N ATOM 0 H ARG B 219 0.129 4.488 -4.002 1.00 5.14 H new ATOM 0 HA ARG B 219 2.696 4.409 -5.477 1.00 52.05 H new ATOM 0 HB2 ARG B 219 0.785 6.757 -5.142 1.00 23.52 H new ATOM 0 HB3 ARG B 219 2.445 6.930 -5.676 1.00 23.52 H new ATOM 0 HG2 ARG B 219 1.925 5.406 -7.619 1.00 60.45 H new ATOM 0 HG3 ARG B 219 0.248 5.388 -7.109 1.00 60.45 H new ATOM 0 HD2 ARG B 219 0.627 7.055 -8.897 1.00 44.15 H new ATOM 0 HD3 ARG B 219 0.074 7.819 -7.420 1.00 44.15 H new ATOM 0 HE ARG B 219 2.811 7.980 -7.177 1.00 12.01 H new ATOM 0 HH11 ARG B 219 0.562 8.856 -9.709 1.00 41.44 H new ATOM 0 HH12 ARG B 219 1.584 10.179 -10.282 1.00 41.44 H new ATOM 0 HH21 ARG B 219 4.058 9.627 -7.919 1.00 73.25 H new ATOM 0 HH22 ARG B 219 3.522 10.605 -9.289 1.00 73.25 H new ATOM 1156 N LEU B 220 3.902 5.006 -3.392 1.00 24.45 N ATOM 1157 CA LEU B 220 4.640 5.295 -2.156 1.00 33.15 C ATOM 1158 C LEU B 220 5.881 6.159 -2.438 1.00 70.33 C ATOM 1159 O LEU B 220 6.447 6.120 -3.533 1.00 31.03 O ATOM 1160 CB LEU B 220 5.048 3.983 -1.466 1.00 53.33 C ATOM 1161 CG LEU B 220 5.790 4.131 -0.121 1.00 54.10 C ATOM 1162 CD1 LEU B 220 4.945 4.904 0.890 1.00 73.21 C ATOM 1163 CD2 LEU B 220 6.178 2.763 0.436 1.00 2.15 C ATOM 0 H LEU B 220 4.447 4.514 -4.100 1.00 24.45 H new ATOM 0 HA LEU B 220 3.984 5.858 -1.492 1.00 33.15 H new ATOM 0 HB2 LEU B 220 4.150 3.388 -1.300 1.00 53.33 H new ATOM 0 HB3 LEU B 220 5.683 3.418 -2.149 1.00 53.33 H new ATOM 0 HG LEU B 220 6.702 4.699 -0.302 1.00 54.10 H new ATOM 0 HD11 LEU B 220 5.492 4.993 1.829 1.00 73.21 H new ATOM 0 HD12 LEU B 220 4.730 5.899 0.499 1.00 73.21 H new ATOM 0 HD13 LEU B 220 4.010 4.372 1.064 1.00 73.21 H new ATOM 0 HD21 LEU B 220 6.700 2.891 1.384 1.00 2.15 H new ATOM 0 HD22 LEU B 220 5.280 2.166 0.594 1.00 2.15 H new ATOM 0 HD23 LEU B 220 6.832 2.254 -0.272 1.00 2.15 H new ATOM 1175 N TYR B 221 6.293 6.939 -1.441 1.00 41.14 N ATOM 1176 CA TYR B 221 7.457 7.823 -1.561 1.00 63.23 C ATOM 1177 C TYR B 221 8.765 7.015 -1.700 1.00 1.52 C ATOM 1178 O TYR B 221 9.019 6.095 -0.921 1.00 12.14 O ATOM 1179 CB TYR B 221 7.531 8.748 -0.337 1.00 31.43 C ATOM 1180 CG TYR B 221 6.293 9.607 -0.137 1.00 62.24 C ATOM 1181 CD1 TYR B 221 5.141 9.077 0.436 1.00 2.55 C ATOM 1182 CD2 TYR B 221 6.277 10.948 -0.515 1.00 42.33 C ATOM 1183 CE1 TYR B 221 4.013 9.852 0.624 1.00 34.35 C ATOM 1184 CE2 TYR B 221 5.151 11.730 -0.330 1.00 73.13 C ATOM 1185 CZ TYR B 221 4.021 11.176 0.242 1.00 72.11 C ATOM 1186 OH TYR B 221 2.894 11.948 0.433 1.00 12.14 O ATOM 0 H TYR B 221 5.834 6.978 -0.531 1.00 41.14 H new ATOM 0 HA TYR B 221 7.341 8.423 -2.464 1.00 63.23 H new ATOM 0 HB2 TYR B 221 7.688 8.142 0.555 1.00 31.43 H new ATOM 0 HB3 TYR B 221 8.400 9.398 -0.438 1.00 31.43 H new ATOM 0 HD1 TYR B 221 5.129 8.041 0.739 1.00 2.55 H new ATOM 0 HD2 TYR B 221 7.159 11.384 -0.960 1.00 42.33 H new ATOM 0 HE1 TYR B 221 3.128 9.422 1.069 1.00 34.35 H new ATOM 0 HE2 TYR B 221 5.155 12.767 -0.631 1.00 73.13 H new ATOM 0 HH TYR B 221 3.063 12.858 0.112 1.00 12.14 H new ATOM 1196 N PRO B 222 9.620 7.357 -2.690 1.00 22.33 N ATOM 1197 CA PRO B 222 10.846 6.587 -2.996 1.00 61.25 C ATOM 1198 C PRO B 222 11.776 6.395 -1.780 1.00 52.32 C ATOM 1199 O PRO B 222 12.404 5.340 -1.626 1.00 32.04 O ATOM 1200 CB PRO B 222 11.536 7.424 -4.092 1.00 22.23 C ATOM 1201 CG PRO B 222 10.886 8.768 -4.027 1.00 50.30 C ATOM 1202 CD PRO B 222 9.474 8.520 -3.579 1.00 64.22 C ATOM 0 HA PRO B 222 10.606 5.569 -3.304 1.00 61.25 H new ATOM 0 HB2 PRO B 222 12.609 7.497 -3.915 1.00 22.23 H new ATOM 0 HB3 PRO B 222 11.405 6.971 -5.075 1.00 22.23 H new ATOM 0 HG2 PRO B 222 11.409 9.421 -3.328 1.00 50.30 H new ATOM 0 HG3 PRO B 222 10.907 9.260 -5.000 1.00 50.30 H new ATOM 0 HD2 PRO B 222 9.058 9.381 -3.056 1.00 64.22 H new ATOM 0 HD3 PRO B 222 8.813 8.308 -4.419 1.00 64.22 H new ATOM 1210 N ASP B 223 11.853 7.407 -0.923 1.00 41.55 N ATOM 1211 CA ASP B 223 12.675 7.345 0.289 1.00 73.54 C ATOM 1212 C ASP B 223 12.133 6.296 1.279 1.00 33.04 C ATOM 1213 O ASP B 223 12.883 5.450 1.781 1.00 50.04 O ATOM 1214 CB ASP B 223 12.743 8.731 0.947 1.00 44.15 C ATOM 1215 CG ASP B 223 11.369 9.331 1.217 1.00 44.22 C ATOM 1216 OD1 ASP B 223 10.561 9.418 0.270 1.00 34.34 O ATOM 1217 OD2 ASP B 223 11.091 9.708 2.374 1.00 72.32 O ATOM 0 H ASP B 223 11.354 8.288 -1.043 1.00 41.55 H new ATOM 0 HA ASP B 223 13.682 7.039 0.006 1.00 73.54 H new ATOM 0 HB2 ASP B 223 13.291 8.654 1.886 1.00 44.15 H new ATOM 0 HB3 ASP B 223 13.307 9.405 0.303 1.00 44.15 H new ATOM 1222 N GLU B 224 10.826 6.346 1.538 1.00 34.43 N ATOM 1223 CA GLU B 224 10.167 5.366 2.406 1.00 51.14 C ATOM 1224 C GLU B 224 10.215 3.958 1.788 1.00 63.12 C ATOM 1225 O GLU B 224 10.299 2.958 2.506 1.00 74.24 O ATOM 1226 CB GLU B 224 8.719 5.807 2.689 1.00 3.14 C ATOM 1227 CG GLU B 224 8.631 7.078 3.538 1.00 0.34 C ATOM 1228 CD GLU B 224 7.215 7.622 3.681 1.00 43.32 C ATOM 1229 OE1 GLU B 224 6.408 7.020 4.420 1.00 71.34 O ATOM 1230 OE2 GLU B 224 6.913 8.665 3.059 1.00 41.13 O ATOM 0 H GLU B 224 10.200 7.056 1.158 1.00 34.43 H new ATOM 0 HA GLU B 224 10.704 5.319 3.353 1.00 51.14 H new ATOM 0 HB2 GLU B 224 8.205 5.974 1.742 1.00 3.14 H new ATOM 0 HB3 GLU B 224 8.193 5.000 3.199 1.00 3.14 H new ATOM 0 HG2 GLU B 224 9.033 6.870 4.530 1.00 0.34 H new ATOM 0 HG3 GLU B 224 9.263 7.846 3.092 1.00 0.34 H new ATOM 1237 N ILE B 225 10.187 3.882 0.456 1.00 41.11 N ATOM 1238 CA ILE B 225 10.363 2.603 -0.247 1.00 11.23 C ATOM 1239 C ILE B 225 11.756 2.011 0.027 1.00 54.32 C ATOM 1240 O ILE B 225 11.905 0.800 0.207 1.00 54.15 O ATOM 1241 CB ILE B 225 10.168 2.751 -1.780 1.00 41.51 C ATOM 1242 CG1 ILE B 225 8.733 3.198 -2.100 1.00 11.22 C ATOM 1243 CG2 ILE B 225 10.500 1.444 -2.507 1.00 3.35 C ATOM 1244 CD1 ILE B 225 8.459 3.375 -3.579 1.00 72.13 C ATOM 0 H ILE B 225 10.045 4.684 -0.158 1.00 41.11 H new ATOM 0 HA ILE B 225 9.597 1.929 0.137 1.00 11.23 H new ATOM 0 HB ILE B 225 10.857 3.517 -2.135 1.00 41.51 H new ATOM 0 HG12 ILE B 225 8.036 2.463 -1.697 1.00 11.22 H new ATOM 0 HG13 ILE B 225 8.534 4.140 -1.589 1.00 11.22 H new ATOM 0 HG21 ILE B 225 10.355 1.577 -3.579 1.00 3.35 H new ATOM 0 HG22 ILE B 225 11.538 1.173 -2.312 1.00 3.35 H new ATOM 0 HG23 ILE B 225 9.844 0.651 -2.147 1.00 3.35 H new ATOM 0 HD11 ILE B 225 7.426 3.691 -3.722 1.00 72.13 H new ATOM 0 HD12 ILE B 225 9.130 4.132 -3.985 1.00 72.13 H new ATOM 0 HD13 ILE B 225 8.624 2.429 -4.095 1.00 72.13 H new ATOM 1256 N GLU B 226 12.773 2.871 0.067 1.00 72.13 N ATOM 1257 CA GLU B 226 14.141 2.428 0.350 1.00 64.05 C ATOM 1258 C GLU B 226 14.244 1.842 1.765 1.00 15.23 C ATOM 1259 O GLU B 226 14.684 0.704 1.943 1.00 1.24 O ATOM 1260 CB GLU B 226 15.132 3.587 0.176 1.00 22.23 C ATOM 1261 CG GLU B 226 16.591 3.176 0.349 1.00 33.24 C ATOM 1262 CD GLU B 226 17.558 4.310 0.055 1.00 10.41 C ATOM 1263 OE1 GLU B 226 17.764 4.625 -1.138 1.00 50.51 O ATOM 1264 OE2 GLU B 226 18.127 4.881 1.012 1.00 41.33 O ATOM 0 H GLU B 226 12.678 3.874 -0.092 1.00 72.13 H new ATOM 0 HA GLU B 226 14.397 1.645 -0.363 1.00 64.05 H new ATOM 0 HB2 GLU B 226 15.001 4.020 -0.816 1.00 22.23 H new ATOM 0 HB3 GLU B 226 14.895 4.368 0.899 1.00 22.23 H new ATOM 0 HG2 GLU B 226 16.747 2.826 1.369 1.00 33.24 H new ATOM 0 HG3 GLU B 226 16.809 2.337 -0.312 1.00 33.24 H new ATOM 1271 N ALA B 227 13.816 2.617 2.765 1.00 21.41 N ATOM 1272 CA ALA B 227 13.776 2.144 4.155 1.00 2.54 C ATOM 1273 C ALA B 227 12.948 0.853 4.280 1.00 75.35 C ATOM 1274 O ALA B 227 13.248 -0.021 5.098 1.00 63.52 O ATOM 1275 CB ALA B 227 13.204 3.233 5.060 1.00 74.33 C ATOM 0 H ALA B 227 13.492 3.576 2.640 1.00 21.41 H new ATOM 0 HA ALA B 227 14.795 1.918 4.469 1.00 2.54 H new ATOM 0 HB1 ALA B 227 13.178 2.874 6.089 1.00 74.33 H new ATOM 0 HB2 ALA B 227 13.832 4.122 5.001 1.00 74.33 H new ATOM 0 HB3 ALA B 227 12.193 3.481 4.736 1.00 74.33 H new ATOM 1281 N LEU B 228 11.907 0.749 3.456 1.00 35.53 N ATOM 1282 CA LEU B 228 11.060 -0.446 3.398 1.00 20.31 C ATOM 1283 C LEU B 228 11.846 -1.687 2.941 1.00 71.24 C ATOM 1284 O LEU B 228 11.834 -2.721 3.610 1.00 14.04 O ATOM 1285 CB LEU B 228 9.886 -0.200 2.437 1.00 1.02 C ATOM 1286 CG LEU B 228 8.928 -1.387 2.221 1.00 72.22 C ATOM 1287 CD1 LEU B 228 8.207 -1.749 3.518 1.00 72.45 C ATOM 1288 CD2 LEU B 228 7.926 -1.074 1.109 1.00 31.41 C ATOM 0 H LEU B 228 11.626 1.487 2.811 1.00 35.53 H new ATOM 0 HA LEU B 228 10.689 -0.638 4.405 1.00 20.31 H new ATOM 0 HB2 LEU B 228 9.307 0.644 2.811 1.00 1.02 H new ATOM 0 HB3 LEU B 228 10.291 0.095 1.469 1.00 1.02 H new ATOM 0 HG LEU B 228 9.519 -2.250 1.914 1.00 72.22 H new ATOM 0 HD11 LEU B 228 7.537 -2.590 3.339 1.00 72.45 H new ATOM 0 HD12 LEU B 228 8.939 -2.024 4.277 1.00 72.45 H new ATOM 0 HD13 LEU B 228 7.630 -0.892 3.865 1.00 72.45 H new ATOM 0 HD21 LEU B 228 7.258 -1.924 0.971 1.00 31.41 H new ATOM 0 HD22 LEU B 228 7.343 -0.195 1.382 1.00 31.41 H new ATOM 0 HD23 LEU B 228 8.462 -0.880 0.180 1.00 31.41 H new ATOM 1300 N LYS B 229 12.525 -1.576 1.799 1.00 71.42 N ATOM 1301 CA LYS B 229 13.235 -2.716 1.198 1.00 61.24 C ATOM 1302 C LYS B 229 14.616 -2.959 1.837 1.00 72.34 C ATOM 1303 O LYS B 229 15.221 -4.014 1.636 1.00 35.15 O ATOM 1304 CB LYS B 229 13.392 -2.499 -0.315 1.00 40.11 C ATOM 1305 CG LYS B 229 14.247 -1.289 -0.682 1.00 20.22 C ATOM 1306 CD LYS B 229 14.334 -1.089 -2.194 1.00 1.11 C ATOM 1307 CE LYS B 229 15.242 0.080 -2.565 1.00 25.04 C ATOM 1308 NZ LYS B 229 15.317 0.284 -4.037 1.00 3.21 N ATOM 0 H LYS B 229 12.601 -0.709 1.267 1.00 71.42 H new ATOM 0 HA LYS B 229 12.631 -3.604 1.387 1.00 61.24 H new ATOM 0 HB2 LYS B 229 13.835 -3.392 -0.756 1.00 40.11 H new ATOM 0 HB3 LYS B 229 12.404 -2.381 -0.760 1.00 40.11 H new ATOM 0 HG2 LYS B 229 13.827 -0.395 -0.221 1.00 20.22 H new ATOM 0 HG3 LYS B 229 15.250 -1.416 -0.275 1.00 20.22 H new ATOM 0 HD2 LYS B 229 14.709 -2.001 -2.659 1.00 1.11 H new ATOM 0 HD3 LYS B 229 13.336 -0.914 -2.595 1.00 1.11 H new ATOM 0 HE2 LYS B 229 14.873 0.990 -2.092 1.00 25.04 H new ATOM 0 HE3 LYS B 229 16.243 -0.100 -2.173 1.00 25.04 H new ATOM 0 HZ1 LYS B 229 15.944 1.087 -4.245 1.00 3.21 H new ATOM 0 HZ2 LYS B 229 15.693 -0.574 -4.488 1.00 3.21 H new ATOM 0 HZ3 LYS B 229 14.366 0.482 -4.409 1.00 3.21 H new ATOM 1322 N SER B 230 15.109 -1.989 2.604 1.00 22.24 N ATOM 1323 CA SER B 230 16.427 -2.089 3.262 1.00 14.23 C ATOM 1324 C SER B 230 16.382 -3.009 4.499 1.00 63.21 C ATOM 1325 O SER B 230 16.885 -2.658 5.569 1.00 13.12 O ATOM 1326 CB SER B 230 16.897 -0.680 3.669 1.00 43.22 C ATOM 1327 OG SER B 230 18.197 -0.694 4.246 1.00 31.32 O ATOM 0 H SER B 230 14.618 -1.115 2.791 1.00 22.24 H new ATOM 0 HA SER B 230 17.130 -2.529 2.555 1.00 14.23 H new ATOM 0 HB2 SER B 230 16.897 -0.031 2.793 1.00 43.22 H new ATOM 0 HB3 SER B 230 16.190 -0.254 4.381 1.00 43.22 H new ATOM 0 HG SER B 230 18.205 -1.296 5.019 1.00 31.32 H new ATOM 1333 N ARG B 231 15.804 -4.205 4.336 1.00 31.33 N ATOM 1334 CA ARG B 231 15.575 -5.125 5.463 1.00 71.32 C ATOM 1335 C ARG B 231 14.850 -6.416 5.028 1.00 21.25 C ATOM 1336 O ARG B 231 15.052 -7.477 5.617 1.00 21.13 O ATOM 1337 CB ARG B 231 14.738 -4.426 6.545 1.00 52.20 C ATOM 1338 CG ARG B 231 13.407 -3.896 6.023 1.00 52.31 C ATOM 1339 CD ARG B 231 12.617 -3.154 7.091 1.00 53.32 C ATOM 1340 NE ARG B 231 11.368 -2.614 6.557 1.00 12.34 N ATOM 1341 CZ ARG B 231 10.294 -2.420 7.266 1.00 3.24 C ATOM 1342 NH1 ARG B 231 10.286 -2.702 8.527 1.00 50.11 N ATOM 1343 NH2 ARG B 231 9.229 -1.936 6.717 1.00 25.51 N ATOM 0 H ARG B 231 15.485 -4.561 3.435 1.00 31.33 H new ATOM 0 HA ARG B 231 16.554 -5.402 5.854 1.00 71.32 H new ATOM 0 HB2 ARG B 231 14.549 -5.126 7.359 1.00 52.20 H new ATOM 0 HB3 ARG B 231 15.313 -3.599 6.963 1.00 52.20 H new ATOM 0 HG2 ARG B 231 13.590 -3.228 5.181 1.00 52.31 H new ATOM 0 HG3 ARG B 231 12.811 -4.727 5.646 1.00 52.31 H new ATOM 0 HD2 ARG B 231 12.398 -3.830 7.918 1.00 53.32 H new ATOM 0 HD3 ARG B 231 13.222 -2.342 7.494 1.00 53.32 H new ATOM 0 HE ARG B 231 11.336 -2.374 5.566 1.00 12.34 H new ATOM 0 HH11 ARG B 231 11.124 -3.078 8.971 1.00 50.11 H new ATOM 0 HH12 ARG B 231 9.442 -2.548 9.079 1.00 50.11 H new ATOM 0 HH21 ARG B 231 9.228 -1.704 5.724 1.00 25.51 H new ATOM 0 HH22 ARG B 231 8.390 -1.786 7.277 1.00 25.51 H new ATOM 1357 N VAL B 232 13.998 -6.315 4.003 1.00 23.35 N ATOM 1358 CA VAL B 232 13.142 -7.440 3.581 1.00 24.34 C ATOM 1359 C VAL B 232 13.948 -8.695 3.183 1.00 34.41 C ATOM 1360 O VAL B 232 14.880 -8.620 2.377 1.00 51.15 O ATOM 1361 CB VAL B 232 12.210 -7.030 2.410 1.00 24.32 C ATOM 1362 CG1 VAL B 232 11.253 -5.921 2.845 1.00 41.11 C ATOM 1363 CG2 VAL B 232 13.019 -6.597 1.188 1.00 21.55 C ATOM 0 H VAL B 232 13.879 -5.468 3.447 1.00 23.35 H new ATOM 0 HA VAL B 232 12.540 -7.697 4.453 1.00 24.34 H new ATOM 0 HB VAL B 232 11.620 -7.902 2.129 1.00 24.32 H new ATOM 0 HG11 VAL B 232 10.608 -5.648 2.009 1.00 41.11 H new ATOM 0 HG12 VAL B 232 10.641 -6.273 3.675 1.00 41.11 H new ATOM 0 HG13 VAL B 232 11.826 -5.049 3.161 1.00 41.11 H new ATOM 0 HG21 VAL B 232 12.340 -6.315 0.383 1.00 21.55 H new ATOM 0 HG22 VAL B 232 13.645 -5.744 1.450 1.00 21.55 H new ATOM 0 HG23 VAL B 232 13.650 -7.422 0.858 1.00 21.55 H new ATOM 1373 N PRO B 233 13.605 -9.865 3.767 1.00 23.43 N ATOM 1374 CA PRO B 233 14.263 -11.150 3.444 1.00 52.13 C ATOM 1375 C PRO B 233 14.081 -11.585 1.973 1.00 23.50 C ATOM 1376 O PRO B 233 13.275 -11.018 1.233 1.00 30.43 O ATOM 1377 CB PRO B 233 13.574 -12.152 4.389 1.00 1.42 C ATOM 1378 CG PRO B 233 12.981 -11.317 5.472 1.00 55.24 C ATOM 1379 CD PRO B 233 12.579 -10.030 4.812 1.00 42.44 C ATOM 0 HA PRO B 233 15.343 -11.082 3.573 1.00 52.13 H new ATOM 0 HB2 PRO B 233 12.807 -12.724 3.867 1.00 1.42 H new ATOM 0 HB3 PRO B 233 14.288 -12.870 4.791 1.00 1.42 H new ATOM 0 HG2 PRO B 233 12.121 -11.812 5.923 1.00 55.24 H new ATOM 0 HG3 PRO B 233 13.702 -11.140 6.270 1.00 55.24 H new ATOM 0 HD2 PRO B 233 11.576 -10.088 4.389 1.00 42.44 H new ATOM 0 HD3 PRO B 233 12.580 -9.197 5.515 1.00 42.44 H new ATOM 1387 N ALA B 234 14.812 -12.629 1.575 1.00 75.23 N ATOM 1388 CA ALA B 234 14.848 -13.090 0.176 1.00 52.20 C ATOM 1389 C ALA B 234 13.458 -13.434 -0.391 1.00 43.31 C ATOM 1390 O ALA B 234 13.088 -12.977 -1.473 1.00 72.12 O ATOM 1391 CB ALA B 234 15.766 -14.301 0.057 1.00 71.25 C ATOM 0 H ALA B 234 15.394 -13.179 2.206 1.00 75.23 H new ATOM 0 HA ALA B 234 15.231 -12.259 -0.417 1.00 52.20 H new ATOM 0 HB1 ALA B 234 15.790 -14.639 -0.979 1.00 71.25 H new ATOM 0 HB2 ALA B 234 16.773 -14.027 0.373 1.00 71.25 H new ATOM 0 HB3 ALA B 234 15.393 -15.104 0.692 1.00 71.25 H new ATOM 1397 N ASN B 235 12.690 -14.241 0.338 1.00 54.11 N ATOM 1398 CA ASN B 235 11.379 -14.706 -0.147 1.00 50.53 C ATOM 1399 C ASN B 235 10.261 -13.685 0.125 1.00 34.22 C ATOM 1400 O ASN B 235 9.082 -13.967 -0.101 1.00 14.32 O ATOM 1401 CB ASN B 235 11.023 -16.052 0.498 1.00 34.05 C ATOM 1402 CG ASN B 235 12.029 -17.136 0.156 1.00 55.34 C ATOM 1403 OD1 ASN B 235 11.898 -17.828 -0.847 1.00 5.20 O ATOM 1404 ND2 ASN B 235 13.035 -17.299 0.990 1.00 44.31 N ATOM 0 H ASN B 235 12.945 -14.589 1.262 1.00 54.11 H new ATOM 0 HA ASN B 235 11.459 -14.825 -1.227 1.00 50.53 H new ATOM 0 HB2 ASN B 235 10.974 -15.933 1.580 1.00 34.05 H new ATOM 0 HB3 ASN B 235 10.032 -16.361 0.166 1.00 34.05 H new ATOM 0 HD21 ASN B 235 13.735 -18.019 0.810 1.00 44.31 H new ATOM 0 HD22 ASN B 235 13.114 -16.706 1.816 1.00 44.31 H new ATOM 1411 N THR B 236 10.629 -12.496 0.595 1.00 23.20 N ATOM 1412 CA THR B 236 9.645 -11.455 0.914 1.00 72.14 C ATOM 1413 C THR B 236 9.524 -10.432 -0.221 1.00 51.42 C ATOM 1414 O THR B 236 10.285 -9.467 -0.288 1.00 2.34 O ATOM 1415 CB THR B 236 10.002 -10.719 2.230 1.00 31.52 C ATOM 1416 OG1 THR B 236 10.130 -11.667 3.302 1.00 30.03 O ATOM 1417 CG2 THR B 236 8.940 -9.687 2.597 1.00 1.11 C ATOM 0 H THR B 236 11.598 -12.226 0.764 1.00 23.20 H new ATOM 0 HA THR B 236 8.687 -11.960 1.041 1.00 72.14 H new ATOM 0 HB THR B 236 10.948 -10.201 2.075 1.00 31.52 H new ATOM 0 HG1 THR B 236 9.733 -11.295 4.117 1.00 30.03 H new ATOM 0 HG21 THR B 236 9.222 -9.189 3.525 1.00 1.11 H new ATOM 0 HG22 THR B 236 8.859 -8.949 1.799 1.00 1.11 H new ATOM 0 HG23 THR B 236 7.979 -10.185 2.729 1.00 1.11 H new ATOM 1425 N SER B 237 8.574 -10.659 -1.124 1.00 62.04 N ATOM 1426 CA SER B 237 8.320 -9.729 -2.229 1.00 65.24 C ATOM 1427 C SER B 237 7.637 -8.452 -1.720 1.00 52.32 C ATOM 1428 O SER B 237 6.804 -8.503 -0.815 1.00 33.33 O ATOM 1429 CB SER B 237 7.442 -10.393 -3.303 1.00 61.43 C ATOM 1430 OG SER B 237 8.019 -11.605 -3.774 1.00 42.03 O ATOM 0 H SER B 237 7.966 -11.478 -1.115 1.00 62.04 H new ATOM 0 HA SER B 237 9.280 -9.462 -2.670 1.00 65.24 H new ATOM 0 HB2 SER B 237 6.453 -10.596 -2.891 1.00 61.43 H new ATOM 0 HB3 SER B 237 7.305 -9.706 -4.138 1.00 61.43 H new ATOM 0 HG SER B 237 7.436 -12.002 -4.454 1.00 42.03 H new ATOM 1436 N MET B 238 7.982 -7.312 -2.318 1.00 24.02 N ATOM 1437 CA MET B 238 7.444 -6.007 -1.895 1.00 42.44 C ATOM 1438 C MET B 238 5.906 -6.018 -1.789 1.00 43.24 C ATOM 1439 O MET B 238 5.344 -5.673 -0.749 1.00 21.12 O ATOM 1440 CB MET B 238 7.902 -4.912 -2.868 1.00 43.14 C ATOM 1441 CG MET B 238 9.413 -4.723 -2.902 1.00 55.33 C ATOM 1442 SD MET B 238 9.942 -3.505 -4.125 1.00 2.23 S ATOM 1443 CE MET B 238 11.708 -3.467 -3.823 1.00 51.00 C ATOM 0 H MET B 238 8.634 -7.260 -3.101 1.00 24.02 H new ATOM 0 HA MET B 238 7.834 -5.798 -0.899 1.00 42.44 H new ATOM 0 HB2 MET B 238 7.552 -5.158 -3.870 1.00 43.14 H new ATOM 0 HB3 MET B 238 7.432 -3.969 -2.589 1.00 43.14 H new ATOM 0 HG2 MET B 238 9.757 -4.413 -1.915 1.00 55.33 H new ATOM 0 HG3 MET B 238 9.889 -5.679 -3.120 1.00 55.33 H new ATOM 0 HE1 MET B 238 12.131 -2.560 -4.254 1.00 51.00 H new ATOM 0 HE2 MET B 238 11.894 -3.479 -2.749 1.00 51.00 H new ATOM 0 HE3 MET B 238 12.174 -4.339 -4.282 1.00 51.00 H new ATOM 1453 N SER B 239 5.235 -6.433 -2.865 1.00 14.12 N ATOM 1454 CA SER B 239 3.765 -6.516 -2.889 1.00 12.43 C ATOM 1455 C SER B 239 3.222 -7.462 -1.803 1.00 72.44 C ATOM 1456 O SER B 239 2.114 -7.276 -1.301 1.00 0.42 O ATOM 1457 CB SER B 239 3.285 -6.988 -4.267 1.00 23.25 C ATOM 1458 OG SER B 239 3.798 -6.159 -5.298 1.00 11.13 O ATOM 0 H SER B 239 5.683 -6.719 -3.736 1.00 14.12 H new ATOM 0 HA SER B 239 3.381 -5.516 -2.685 1.00 12.43 H new ATOM 0 HB2 SER B 239 3.602 -8.018 -4.433 1.00 23.25 H new ATOM 0 HB3 SER B 239 2.195 -6.980 -4.298 1.00 23.25 H new ATOM 0 HG SER B 239 3.062 -5.667 -5.719 1.00 11.13 H new ATOM 1464 N ALA B 240 4.006 -8.479 -1.446 1.00 42.33 N ATOM 1465 CA ALA B 240 3.612 -9.426 -0.399 1.00 65.15 C ATOM 1466 C ALA B 240 3.723 -8.789 0.996 1.00 14.24 C ATOM 1467 O ALA B 240 2.822 -8.921 1.828 1.00 1.34 O ATOM 1468 CB ALA B 240 4.467 -10.686 -0.480 1.00 3.21 C ATOM 0 H ALA B 240 4.916 -8.669 -1.865 1.00 42.33 H new ATOM 0 HA ALA B 240 2.569 -9.697 -0.561 1.00 65.15 H new ATOM 0 HB1 ALA B 240 4.165 -11.382 0.303 1.00 3.21 H new ATOM 0 HB2 ALA B 240 4.332 -11.155 -1.454 1.00 3.21 H new ATOM 0 HB3 ALA B 240 5.516 -10.423 -0.346 1.00 3.21 H new ATOM 1474 N TYR B 241 4.834 -8.092 1.236 1.00 33.21 N ATOM 1475 CA TYR B 241 5.066 -7.406 2.511 1.00 53.23 C ATOM 1476 C TYR B 241 4.025 -6.294 2.734 1.00 42.11 C ATOM 1477 O TYR B 241 3.515 -6.118 3.839 1.00 53.24 O ATOM 1478 CB TYR B 241 6.489 -6.821 2.541 1.00 53.44 C ATOM 1479 CG TYR B 241 6.919 -6.294 3.905 1.00 64.23 C ATOM 1480 CD1 TYR B 241 7.507 -7.138 4.845 1.00 15.41 C ATOM 1481 CD2 TYR B 241 6.739 -4.958 4.252 1.00 34.20 C ATOM 1482 CE1 TYR B 241 7.902 -6.664 6.085 1.00 34.41 C ATOM 1483 CE2 TYR B 241 7.133 -4.481 5.489 1.00 62.22 C ATOM 1484 CZ TYR B 241 7.711 -5.336 6.401 1.00 14.52 C ATOM 1485 OH TYR B 241 8.103 -4.858 7.635 1.00 3.43 O ATOM 0 H TYR B 241 5.592 -7.986 0.562 1.00 33.21 H new ATOM 0 HA TYR B 241 4.963 -8.132 3.318 1.00 53.23 H new ATOM 0 HB2 TYR B 241 7.193 -7.590 2.223 1.00 53.44 H new ATOM 0 HB3 TYR B 241 6.552 -6.011 1.815 1.00 53.44 H new ATOM 0 HD1 TYR B 241 7.657 -8.180 4.602 1.00 15.41 H new ATOM 0 HD2 TYR B 241 6.284 -4.282 3.543 1.00 34.20 H new ATOM 0 HE1 TYR B 241 8.358 -7.332 6.801 1.00 34.41 H new ATOM 0 HE2 TYR B 241 6.988 -3.440 5.739 1.00 62.22 H new ATOM 0 HH TYR B 241 7.898 -3.902 7.696 1.00 3.43 H new ATOM 1495 N ILE B 242 3.706 -5.552 1.676 1.00 13.54 N ATOM 1496 CA ILE B 242 2.675 -4.510 1.756 1.00 20.43 C ATOM 1497 C ILE B 242 1.282 -5.119 1.993 1.00 33.35 C ATOM 1498 O ILE B 242 0.458 -4.544 2.709 1.00 53.14 O ATOM 1499 CB ILE B 242 2.648 -3.628 0.477 1.00 32.44 C ATOM 1500 CG1 ILE B 242 4.007 -2.938 0.272 1.00 0.13 C ATOM 1501 CG2 ILE B 242 1.525 -2.589 0.551 1.00 4.05 C ATOM 1502 CD1 ILE B 242 4.406 -2.007 1.404 1.00 53.02 C ATOM 0 H ILE B 242 4.140 -5.648 0.758 1.00 13.54 H new ATOM 0 HA ILE B 242 2.934 -3.878 2.606 1.00 20.43 H new ATOM 0 HB ILE B 242 2.454 -4.276 -0.378 1.00 32.44 H new ATOM 0 HG12 ILE B 242 4.776 -3.701 0.155 1.00 0.13 H new ATOM 0 HG13 ILE B 242 3.978 -2.370 -0.658 1.00 0.13 H new ATOM 0 HG21 ILE B 242 1.528 -1.985 -0.356 1.00 4.05 H new ATOM 0 HG22 ILE B 242 0.565 -3.097 0.646 1.00 4.05 H new ATOM 0 HG23 ILE B 242 1.682 -1.945 1.416 1.00 4.05 H new ATOM 0 HD11 ILE B 242 5.375 -1.560 1.183 1.00 53.02 H new ATOM 0 HD12 ILE B 242 3.659 -1.220 1.508 1.00 53.02 H new ATOM 0 HD13 ILE B 242 4.470 -2.572 2.334 1.00 53.02 H new ATOM 1514 N ARG B 243 1.028 -6.291 1.404 1.00 74.40 N ATOM 1515 CA ARG B 243 -0.270 -6.962 1.557 1.00 32.22 C ATOM 1516 C ARG B 243 -0.586 -7.273 3.030 1.00 23.40 C ATOM 1517 O ARG B 243 -1.710 -7.061 3.480 1.00 33.33 O ATOM 1518 CB ARG B 243 -0.333 -8.251 0.720 1.00 1.11 C ATOM 1519 CG ARG B 243 -1.690 -8.957 0.791 1.00 0.33 C ATOM 1520 CD ARG B 243 -1.744 -10.211 -0.079 1.00 73.12 C ATOM 1521 NE ARG B 243 -0.728 -11.194 0.306 1.00 30.31 N ATOM 1522 CZ ARG B 243 -0.961 -12.472 0.465 1.00 63.52 C ATOM 1523 NH1 ARG B 243 -2.154 -12.955 0.329 1.00 12.30 N ATOM 1524 NH2 ARG B 243 0.008 -13.268 0.774 1.00 61.30 N ATOM 0 H ARG B 243 1.697 -6.793 0.821 1.00 74.40 H new ATOM 0 HA ARG B 243 -1.027 -6.269 1.190 1.00 32.22 H new ATOM 0 HB2 ARG B 243 -0.111 -8.011 -0.320 1.00 1.11 H new ATOM 0 HB3 ARG B 243 0.443 -8.936 1.062 1.00 1.11 H new ATOM 0 HG2 ARG B 243 -1.901 -9.227 1.826 1.00 0.33 H new ATOM 0 HG3 ARG B 243 -2.472 -8.266 0.476 1.00 0.33 H new ATOM 0 HD2 ARG B 243 -2.733 -10.663 -0.001 1.00 73.12 H new ATOM 0 HD3 ARG B 243 -1.602 -9.933 -1.123 1.00 73.12 H new ATOM 0 HE ARG B 243 0.223 -10.860 0.460 1.00 30.31 H new ATOM 0 HH11 ARG B 243 -2.931 -12.337 0.094 1.00 12.30 H new ATOM 0 HH12 ARG B 243 -2.317 -13.954 0.457 1.00 12.30 H new ATOM 0 HH21 ARG B 243 0.952 -12.900 0.893 1.00 61.30 H new ATOM 0 HH22 ARG B 243 -0.171 -14.264 0.899 1.00 61.30 H new ATOM 1538 N ARG B 244 0.399 -7.771 3.786 1.00 41.44 N ATOM 1539 CA ARG B 244 0.177 -8.058 5.214 1.00 45.34 C ATOM 1540 C ARG B 244 -0.055 -6.761 6.012 1.00 15.00 C ATOM 1541 O ARG B 244 -0.851 -6.735 6.950 1.00 31.30 O ATOM 1542 CB ARG B 244 1.343 -8.861 5.822 1.00 60.34 C ATOM 1543 CG ARG B 244 2.697 -8.154 5.779 1.00 22.41 C ATOM 1544 CD ARG B 244 3.751 -8.881 6.613 1.00 73.40 C ATOM 1545 NE ARG B 244 3.432 -8.855 8.040 1.00 72.41 N ATOM 1546 CZ ARG B 244 4.253 -9.214 8.990 1.00 4.12 C ATOM 1547 NH1 ARG B 244 5.429 -9.681 8.717 1.00 73.21 N ATOM 1548 NH2 ARG B 244 3.884 -9.122 10.222 1.00 5.11 N ATOM 0 H ARG B 244 1.338 -7.981 3.447 1.00 41.44 H new ATOM 0 HA ARG B 244 -0.722 -8.671 5.281 1.00 45.34 H new ATOM 0 HB2 ARG B 244 1.103 -9.094 6.859 1.00 60.34 H new ATOM 0 HB3 ARG B 244 1.427 -9.810 5.293 1.00 60.34 H new ATOM 0 HG2 ARG B 244 3.037 -8.085 4.746 1.00 22.41 H new ATOM 0 HG3 ARG B 244 2.585 -7.134 6.146 1.00 22.41 H new ATOM 0 HD2 ARG B 244 3.829 -9.915 6.277 1.00 73.40 H new ATOM 0 HD3 ARG B 244 4.725 -8.419 6.450 1.00 73.40 H new ATOM 0 HE ARG B 244 2.503 -8.534 8.312 1.00 72.41 H new ATOM 0 HH11 ARG B 244 5.728 -9.774 7.746 1.00 73.21 H new ATOM 0 HH12 ARG B 244 6.056 -9.956 9.473 1.00 73.21 H new ATOM 0 HH21 ARG B 244 2.954 -8.770 10.451 1.00 5.11 H new ATOM 0 HH22 ARG B 244 4.522 -9.401 10.968 1.00 5.11 H new ATOM 1562 N ILE B 245 0.632 -5.686 5.619 1.00 0.14 N ATOM 1563 CA ILE B 245 0.455 -4.373 6.257 1.00 25.11 C ATOM 1564 C ILE B 245 -1.000 -3.881 6.131 1.00 43.32 C ATOM 1565 O ILE B 245 -1.670 -3.615 7.133 1.00 0.43 O ATOM 1566 CB ILE B 245 1.398 -3.311 5.633 1.00 74.05 C ATOM 1567 CG1 ILE B 245 2.870 -3.712 5.825 1.00 22.04 C ATOM 1568 CG2 ILE B 245 1.131 -1.928 6.231 1.00 40.04 C ATOM 1569 CD1 ILE B 245 3.855 -2.758 5.177 1.00 62.44 C ATOM 0 H ILE B 245 1.316 -5.696 4.863 1.00 0.14 H new ATOM 0 HA ILE B 245 0.703 -4.500 7.311 1.00 25.11 H new ATOM 0 HB ILE B 245 1.194 -3.263 4.563 1.00 74.05 H new ATOM 0 HG12 ILE B 245 3.084 -3.771 6.892 1.00 22.04 H new ATOM 0 HG13 ILE B 245 3.021 -4.710 5.414 1.00 22.04 H new ATOM 0 HG21 ILE B 245 1.804 -1.200 5.778 1.00 40.04 H new ATOM 0 HG22 ILE B 245 0.099 -1.640 6.034 1.00 40.04 H new ATOM 0 HG23 ILE B 245 1.300 -1.958 7.307 1.00 40.04 H new ATOM 0 HD11 ILE B 245 4.872 -3.108 5.356 1.00 62.44 H new ATOM 0 HD12 ILE B 245 3.669 -2.717 4.104 1.00 62.44 H new ATOM 0 HD13 ILE B 245 3.733 -1.763 5.605 1.00 62.44 H new ATOM 1581 N ILE B 246 -1.481 -3.763 4.893 1.00 22.22 N ATOM 1582 CA ILE B 246 -2.855 -3.313 4.641 1.00 42.51 C ATOM 1583 C ILE B 246 -3.887 -4.305 5.200 1.00 41.42 C ATOM 1584 O ILE B 246 -4.931 -3.898 5.708 1.00 53.40 O ATOM 1585 CB ILE B 246 -3.119 -3.067 3.129 1.00 70.45 C ATOM 1586 CG1 ILE B 246 -2.899 -4.353 2.313 1.00 51.33 C ATOM 1587 CG2 ILE B 246 -2.223 -1.941 2.608 1.00 42.10 C ATOM 1588 CD1 ILE B 246 -3.153 -4.190 0.825 1.00 35.23 C ATOM 0 H ILE B 246 -0.944 -3.971 4.051 1.00 22.22 H new ATOM 0 HA ILE B 246 -2.968 -2.363 5.164 1.00 42.51 H new ATOM 0 HB ILE B 246 -4.160 -2.768 3.011 1.00 70.45 H new ATOM 0 HG12 ILE B 246 -1.875 -4.695 2.461 1.00 51.33 H new ATOM 0 HG13 ILE B 246 -3.554 -5.133 2.700 1.00 51.33 H new ATOM 0 HG21 ILE B 246 -2.420 -1.781 1.548 1.00 42.10 H new ATOM 0 HG22 ILE B 246 -2.433 -1.024 3.159 1.00 42.10 H new ATOM 0 HG23 ILE B 246 -1.177 -2.215 2.746 1.00 42.10 H new ATOM 0 HD11 ILE B 246 -2.977 -5.140 0.320 1.00 35.23 H new ATOM 0 HD12 ILE B 246 -4.185 -3.879 0.664 1.00 35.23 H new ATOM 0 HD13 ILE B 246 -2.480 -3.434 0.422 1.00 35.23 H new ATOM 1600 N LEU B 247 -3.582 -5.601 5.128 1.00 73.45 N ATOM 1601 CA LEU B 247 -4.458 -6.640 5.688 1.00 44.40 C ATOM 1602 C LEU B 247 -4.718 -6.399 7.184 1.00 61.12 C ATOM 1603 O LEU B 247 -5.866 -6.281 7.617 1.00 10.11 O ATOM 1604 CB LEU B 247 -3.833 -8.028 5.482 1.00 44.24 C ATOM 1605 CG LEU B 247 -4.645 -9.211 6.039 1.00 40.32 C ATOM 1606 CD1 LEU B 247 -6.012 -9.294 5.367 1.00 62.14 C ATOM 1607 CD2 LEU B 247 -3.877 -10.519 5.866 1.00 10.44 C ATOM 0 H LEU B 247 -2.735 -5.960 4.688 1.00 73.45 H new ATOM 0 HA LEU B 247 -5.413 -6.594 5.164 1.00 44.40 H new ATOM 0 HB2 LEU B 247 -3.683 -8.184 4.414 1.00 44.24 H new ATOM 0 HB3 LEU B 247 -2.847 -8.036 5.947 1.00 44.24 H new ATOM 0 HG LEU B 247 -4.802 -9.045 7.105 1.00 40.32 H new ATOM 0 HD11 LEU B 247 -6.568 -10.137 5.776 1.00 62.14 H new ATOM 0 HD12 LEU B 247 -6.564 -8.372 5.550 1.00 62.14 H new ATOM 0 HD13 LEU B 247 -5.882 -9.432 4.294 1.00 62.14 H new ATOM 0 HD21 LEU B 247 -4.468 -11.343 6.266 1.00 10.44 H new ATOM 0 HD22 LEU B 247 -3.685 -10.691 4.807 1.00 10.44 H new ATOM 0 HD23 LEU B 247 -2.930 -10.458 6.402 1.00 10.44 H new ATOM 1619 N ASN B 248 -3.641 -6.307 7.965 1.00 75.21 N ATOM 1620 CA ASN B 248 -3.750 -6.074 9.411 1.00 2.53 C ATOM 1621 C ASN B 248 -4.490 -4.764 9.719 1.00 62.04 C ATOM 1622 O ASN B 248 -5.257 -4.677 10.681 1.00 4.44 O ATOM 1623 CB ASN B 248 -2.357 -6.049 10.051 1.00 45.02 C ATOM 1624 CG ASN B 248 -1.616 -7.366 9.890 1.00 1.03 C ATOM 1625 OD1 ASN B 248 -0.395 -7.393 9.782 1.00 31.13 O ATOM 1626 ND2 ASN B 248 -2.337 -8.470 9.885 1.00 23.00 N ATOM 0 H ASN B 248 -2.683 -6.390 7.624 1.00 75.21 H new ATOM 0 HA ASN B 248 -4.329 -6.895 9.834 1.00 2.53 H new ATOM 0 HB2 ASN B 248 -1.769 -5.248 9.602 1.00 45.02 H new ATOM 0 HB3 ASN B 248 -2.453 -5.818 11.112 1.00 45.02 H new ATOM 0 HD21 ASN B 248 -1.880 -9.377 9.790 1.00 23.00 H new ATOM 0 HD22 ASN B 248 -3.351 -8.417 9.977 1.00 23.00 H new ATOM 1633 N HIS B 249 -4.266 -3.749 8.889 1.00 61.40 N ATOM 1634 CA HIS B 249 -4.894 -2.441 9.081 1.00 62.23 C ATOM 1635 C HIS B 249 -6.396 -2.480 8.735 1.00 25.42 C ATOM 1636 O HIS B 249 -7.210 -1.862 9.418 1.00 54.04 O ATOM 1637 CB HIS B 249 -4.174 -1.384 8.228 1.00 12.14 C ATOM 1638 CG HIS B 249 -4.532 0.032 8.573 1.00 70.53 C ATOM 1639 ND1 HIS B 249 -3.728 0.843 9.348 1.00 51.12 N ATOM 1640 CD2 HIS B 249 -5.600 0.792 8.227 1.00 60.41 C ATOM 1641 CE1 HIS B 249 -4.285 2.030 9.466 1.00 55.51 C ATOM 1642 NE2 HIS B 249 -5.418 2.027 8.793 1.00 44.40 N ATOM 0 H HIS B 249 -3.654 -3.805 8.075 1.00 61.40 H new ATOM 0 HA HIS B 249 -4.805 -2.173 10.134 1.00 62.23 H new ATOM 0 HB2 HIS B 249 -3.098 -1.513 8.342 1.00 12.14 H new ATOM 0 HB3 HIS B 249 -4.407 -1.560 7.178 1.00 12.14 H new ATOM 0 HD2 HIS B 249 -6.437 0.482 7.619 1.00 60.41 H new ATOM 0 HE1 HIS B 249 -3.882 2.865 10.020 1.00 55.51 H new ATOM 0 HE2 HIS B 249 -6.057 2.817 8.707 1.00 44.40 H new ATOM 1651 N LEU B 250 -6.755 -3.208 7.679 1.00 24.22 N ATOM 1652 CA LEU B 250 -8.159 -3.311 7.246 1.00 41.50 C ATOM 1653 C LEU B 250 -8.992 -4.198 8.185 1.00 12.31 C ATOM 1654 O LEU B 250 -10.139 -3.869 8.490 1.00 74.44 O ATOM 1655 CB LEU B 250 -8.248 -3.834 5.797 1.00 14.45 C ATOM 1656 CG LEU B 250 -8.266 -2.749 4.695 1.00 40.41 C ATOM 1657 CD1 LEU B 250 -9.534 -1.898 4.797 1.00 13.40 C ATOM 1658 CD2 LEU B 250 -7.020 -1.867 4.769 1.00 64.35 C ATOM 0 H LEU B 250 -6.099 -3.737 7.104 1.00 24.22 H new ATOM 0 HA LEU B 250 -8.579 -2.306 7.287 1.00 41.50 H new ATOM 0 HB2 LEU B 250 -7.401 -4.496 5.616 1.00 14.45 H new ATOM 0 HB3 LEU B 250 -9.151 -4.438 5.702 1.00 14.45 H new ATOM 0 HG LEU B 250 -8.264 -3.253 3.729 1.00 40.41 H new ATOM 0 HD11 LEU B 250 -9.528 -1.141 4.013 1.00 13.40 H new ATOM 0 HD12 LEU B 250 -10.410 -2.535 4.679 1.00 13.40 H new ATOM 0 HD13 LEU B 250 -9.568 -1.411 5.772 1.00 13.40 H new ATOM 0 HD21 LEU B 250 -7.060 -1.114 3.982 1.00 64.35 H new ATOM 0 HD22 LEU B 250 -6.980 -1.375 5.741 1.00 64.35 H new ATOM 0 HD23 LEU B 250 -6.130 -2.482 4.637 1.00 64.35 H new ATOM 1670 N GLU B 251 -8.430 -5.320 8.636 1.00 34.42 N ATOM 1671 CA GLU B 251 -9.149 -6.214 9.557 1.00 23.54 C ATOM 1672 C GLU B 251 -9.346 -5.556 10.935 1.00 21.14 C ATOM 1673 O GLU B 251 -10.347 -5.795 11.614 1.00 11.23 O ATOM 1674 CB GLU B 251 -8.416 -7.561 9.700 1.00 75.50 C ATOM 1675 CG GLU B 251 -7.053 -7.476 10.387 1.00 54.31 C ATOM 1676 CD GLU B 251 -6.328 -8.818 10.459 1.00 10.31 C ATOM 1677 OE1 GLU B 251 -6.968 -9.869 10.234 1.00 25.24 O ATOM 1678 OE2 GLU B 251 -5.111 -8.826 10.740 1.00 35.31 O ATOM 0 H GLU B 251 -7.492 -5.632 8.385 1.00 34.42 H new ATOM 0 HA GLU B 251 -10.134 -6.403 9.131 1.00 23.54 H new ATOM 0 HB2 GLU B 251 -9.050 -8.246 10.263 1.00 75.50 H new ATOM 0 HB3 GLU B 251 -8.282 -7.993 8.708 1.00 75.50 H new ATOM 0 HG2 GLU B 251 -6.428 -6.762 9.851 1.00 54.31 H new ATOM 0 HG3 GLU B 251 -7.186 -7.088 11.397 1.00 54.31 H new ATOM 1685 N ASP B 252 -8.392 -4.714 11.332 1.00 64.24 N ATOM 1686 CA ASP B 252 -8.484 -3.973 12.595 1.00 14.32 C ATOM 1687 C ASP B 252 -9.222 -2.631 12.418 1.00 44.10 C ATOM 1688 O ASP B 252 -10.423 -2.536 12.677 1.00 71.43 O ATOM 1689 CB ASP B 252 -7.080 -3.740 13.172 1.00 60.51 C ATOM 1690 CG ASP B 252 -7.099 -2.879 14.424 1.00 24.15 C ATOM 1691 OD1 ASP B 252 -7.752 -3.279 15.411 1.00 42.22 O ATOM 1692 OD2 ASP B 252 -6.463 -1.801 14.423 1.00 32.00 O ATOM 0 H ASP B 252 -7.544 -4.526 10.797 1.00 64.24 H new ATOM 0 HA ASP B 252 -9.064 -4.575 13.294 1.00 14.32 H new ATOM 0 HB2 ASP B 252 -6.622 -4.702 13.404 1.00 60.51 H new ATOM 0 HB3 ASP B 252 -6.455 -3.263 12.417 1.00 60.51 H new ATOM 1697 N GLU B 253 -8.489 -1.611 11.968 1.00 31.33 N ATOM 1698 CA GLU B 253 -9.021 -0.245 11.793 1.00 0.12 C ATOM 1699 C GLU B 253 -8.058 0.611 10.949 1.00 1.22 C ATOM 1700 O GLU B 253 -8.393 0.924 9.786 1.00 38.70 O ATOM 1701 CB GLU B 253 -9.271 0.441 13.159 1.00 34.14 C ATOM 1702 CG GLU B 253 -10.672 0.235 13.735 1.00 62.54 C ATOM 1703 CD GLU B 253 -11.754 0.947 12.935 1.00 0.40 C ATOM 1704 OE1 GLU B 253 -12.308 0.346 11.990 1.00 62.01 O ATOM 1705 OE2 GLU B 253 -12.060 2.117 13.249 1.00 33.21 O ATOM 1706 OXT GLU B 253 -6.963 0.961 11.453 1.00 38.70 O ATOM 0 H GLU B 253 -7.506 -1.702 11.712 1.00 31.33 H new ATOM 0 HA GLU B 253 -9.974 -0.330 11.270 1.00 0.12 H new ATOM 0 HB2 GLU B 253 -8.540 0.067 13.876 1.00 34.14 H new ATOM 0 HB3 GLU B 253 -9.092 1.511 13.050 1.00 34.14 H new ATOM 0 HG2 GLU B 253 -10.893 -0.832 13.766 1.00 62.54 H new ATOM 0 HG3 GLU B 253 -10.692 0.594 14.764 1.00 62.54 H new