USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 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 USER MOD Set 1.2: A 39 SER OG : rot 180:sc=-0.00448 USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= -0.0118 (180deg=-0.215) USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.288 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 40:sc= 0.156 USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 0.227 (180deg=-1.24) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -118:sc= -0.231 (180deg=-1.84!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 49 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.035) USER MOD Single : B 213 THR OG1 : rot -70:sc= -2.63! 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 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 236 THR OG1 : rot -160:sc= -0.111 USER MOD Single : B 237 SER OG : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 239 SER OG : rot -96:sc= 0.34 USER MOD Single : B 241 TYR OH : rot 50:sc= -0.552 USER MOD Single : B 248 ASN : amide:sc=-0.00118 K(o=-0.0012,f=-1.5) USER MOD Single : B 249 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 11 4.741 13.000 -10.662 1.00 15.44 N ATOM 146 CA LYS A 11 5.847 12.038 -10.804 1.00 12.03 C ATOM 147 C LYS A 11 6.632 11.875 -9.488 1.00 31.42 C ATOM 148 O LYS A 11 7.802 11.481 -9.489 1.00 54.22 O ATOM 149 CB LYS A 11 6.785 12.493 -11.934 1.00 22.33 C ATOM 150 CG LYS A 11 7.431 13.856 -11.703 1.00 21.04 C ATOM 151 CD LYS A 11 8.349 14.251 -12.861 1.00 61.15 C ATOM 152 CE LYS A 11 9.086 15.557 -12.578 1.00 45.31 C ATOM 153 NZ LYS A 11 10.014 15.438 -11.420 1.00 55.13 N ATOM 0 HA LYS A 11 5.422 11.065 -11.052 1.00 12.03 H new ATOM 0 HB2 LYS A 11 7.571 11.748 -12.060 1.00 22.33 H new ATOM 0 HB3 LYS A 11 6.222 12.524 -12.867 1.00 22.33 H new ATOM 0 HG2 LYS A 11 6.654 14.611 -11.581 1.00 21.04 H new ATOM 0 HG3 LYS A 11 8.004 13.835 -10.776 1.00 21.04 H new ATOM 0 HD2 LYS A 11 9.073 13.456 -13.039 1.00 61.15 H new ATOM 0 HD3 LYS A 11 7.760 14.356 -13.772 1.00 61.15 H new ATOM 0 HE2 LYS A 11 9.648 15.854 -13.463 1.00 45.31 H new ATOM 0 HE3 LYS A 11 8.361 16.346 -12.381 1.00 45.31 H new ATOM 0 HZ1 LYS A 11 10.659 16.253 -11.407 1.00 55.13 H new ATOM 0 HZ2 LYS A 11 9.466 15.416 -10.537 1.00 55.13 H new ATOM 0 HZ3 LYS A 11 10.566 14.561 -11.506 1.00 55.13 H new ATOM 167 N ASP A 12 5.970 12.153 -8.368 1.00 35.10 N ATOM 168 CA ASP A 12 6.597 12.102 -7.041 1.00 24.41 C ATOM 169 C ASP A 12 6.759 10.656 -6.533 1.00 35.12 C ATOM 170 O ASP A 12 7.850 10.233 -6.146 1.00 24.20 O ATOM 171 CB ASP A 12 5.752 12.917 -6.048 1.00 40.24 C ATOM 172 CG ASP A 12 4.329 12.381 -5.892 1.00 62.02 C ATOM 173 OD1 ASP A 12 3.736 11.939 -6.901 1.00 13.12 O ATOM 174 OD2 ASP A 12 3.796 12.397 -4.765 1.00 4.30 O ATOM 0 H ASP A 12 4.986 12.420 -8.350 1.00 35.10 H new ATOM 0 HA ASP A 12 7.596 12.530 -7.123 1.00 24.41 H new ATOM 0 HB2 ASP A 12 6.243 12.915 -5.075 1.00 40.24 H new ATOM 0 HB3 ASP A 12 5.709 13.954 -6.382 1.00 40.24 H new ATOM 179 N THR A 13 5.660 9.913 -6.538 1.00 51.42 N ATOM 180 CA THR A 13 5.629 8.548 -6.008 1.00 53.24 C ATOM 181 C THR A 13 5.623 7.504 -7.130 1.00 64.23 C ATOM 182 O THR A 13 5.200 7.782 -8.257 1.00 52.12 O ATOM 183 CB THR A 13 4.388 8.332 -5.108 1.00 43.25 C ATOM 184 OG1 THR A 13 3.197 8.711 -5.807 1.00 41.31 O ATOM 185 CG2 THR A 13 4.492 9.136 -3.815 1.00 62.24 C ATOM 0 H THR A 13 4.765 10.234 -6.907 1.00 51.42 H new ATOM 0 HA THR A 13 6.535 8.419 -5.416 1.00 53.24 H new ATOM 0 HB THR A 13 4.345 7.273 -4.855 1.00 43.25 H new ATOM 0 HG1 THR A 13 2.528 9.030 -5.165 1.00 41.31 H new ATOM 0 HG21 THR A 13 3.605 8.962 -3.206 1.00 62.24 H new ATOM 0 HG22 THR A 13 5.378 8.824 -3.263 1.00 62.24 H new ATOM 0 HG23 THR A 13 4.567 10.197 -4.052 1.00 62.24 H new ATOM 193 N LYS A 14 6.099 6.300 -6.819 1.00 42.54 N ATOM 194 CA LYS A 14 6.183 5.223 -7.811 1.00 42.00 C ATOM 195 C LYS A 14 4.929 4.333 -7.768 1.00 45.12 C ATOM 196 O LYS A 14 4.507 3.901 -6.693 1.00 30.13 O ATOM 197 CB LYS A 14 7.434 4.362 -7.563 1.00 73.03 C ATOM 198 CG LYS A 14 8.711 5.164 -7.312 1.00 31.13 C ATOM 199 CD LYS A 14 9.029 6.147 -8.438 1.00 44.55 C ATOM 200 CE LYS A 14 9.228 5.450 -9.782 1.00 12.40 C ATOM 201 NZ LYS A 14 9.703 6.393 -10.829 1.00 22.04 N ATOM 0 H LYS A 14 6.433 6.043 -5.890 1.00 42.54 H new ATOM 0 HA LYS A 14 6.251 5.683 -8.797 1.00 42.00 H new ATOM 0 HB2 LYS A 14 7.251 3.715 -6.705 1.00 73.03 H new ATOM 0 HB3 LYS A 14 7.590 3.713 -8.424 1.00 73.03 H new ATOM 0 HG2 LYS A 14 8.611 5.713 -6.376 1.00 31.13 H new ATOM 0 HG3 LYS A 14 9.548 4.476 -7.190 1.00 31.13 H new ATOM 0 HD2 LYS A 14 8.219 6.871 -8.524 1.00 44.55 H new ATOM 0 HD3 LYS A 14 9.930 6.706 -8.185 1.00 44.55 H new ATOM 0 HE2 LYS A 14 9.949 4.640 -9.668 1.00 12.40 H new ATOM 0 HE3 LYS A 14 8.288 4.998 -10.099 1.00 12.40 H new ATOM 0 HZ1 LYS A 14 9.826 5.882 -11.726 1.00 22.04 H new ATOM 0 HZ2 LYS A 14 9.003 7.152 -10.956 1.00 22.04 H new ATOM 0 HZ3 LYS A 14 10.612 6.805 -10.538 1.00 22.04 H new ATOM 215 N PRO A 15 4.309 4.054 -8.934 1.00 12.11 N ATOM 216 CA PRO A 15 3.123 3.185 -9.020 1.00 20.43 C ATOM 217 C PRO A 15 3.462 1.692 -8.841 1.00 34.02 C ATOM 218 O PRO A 15 3.985 1.045 -9.751 1.00 11.14 O ATOM 219 CB PRO A 15 2.569 3.453 -10.438 1.00 24.34 C ATOM 220 CG PRO A 15 3.361 4.608 -10.972 1.00 20.23 C ATOM 221 CD PRO A 15 4.683 4.571 -10.257 1.00 14.01 C ATOM 0 HA PRO A 15 2.410 3.404 -8.225 1.00 20.43 H new ATOM 0 HB2 PRO A 15 2.680 2.575 -11.074 1.00 24.34 H new ATOM 0 HB3 PRO A 15 1.506 3.690 -10.404 1.00 24.34 H new ATOM 0 HG2 PRO A 15 3.498 4.522 -12.050 1.00 20.23 H new ATOM 0 HG3 PRO A 15 2.846 5.551 -10.791 1.00 20.23 H new ATOM 0 HD2 PRO A 15 5.399 3.921 -10.760 1.00 14.01 H new ATOM 0 HD3 PRO A 15 5.139 5.559 -10.194 1.00 14.01 H new ATOM 229 N VAL A 16 3.181 1.158 -7.656 1.00 54.44 N ATOM 230 CA VAL A 16 3.397 -0.262 -7.361 1.00 40.41 C ATOM 231 C VAL A 16 2.059 -1.017 -7.249 1.00 15.20 C ATOM 232 O VAL A 16 1.195 -0.665 -6.445 1.00 71.23 O ATOM 233 CB VAL A 16 4.226 -0.447 -6.059 1.00 63.14 C ATOM 234 CG1 VAL A 16 3.572 0.271 -4.878 1.00 23.25 C ATOM 235 CG2 VAL A 16 4.436 -1.931 -5.750 1.00 30.45 C ATOM 0 H VAL A 16 2.799 1.691 -6.875 1.00 54.44 H new ATOM 0 HA VAL A 16 3.963 -0.683 -8.192 1.00 40.41 H new ATOM 0 HB VAL A 16 5.204 0.006 -6.221 1.00 63.14 H new ATOM 0 HG11 VAL A 16 4.176 0.123 -3.983 1.00 23.25 H new ATOM 0 HG12 VAL A 16 3.500 1.337 -5.095 1.00 23.25 H new ATOM 0 HG13 VAL A 16 2.573 -0.134 -4.714 1.00 23.25 H new ATOM 0 HG21 VAL A 16 5.019 -2.033 -4.834 1.00 30.45 H new ATOM 0 HG22 VAL A 16 3.469 -2.416 -5.620 1.00 30.45 H new ATOM 0 HG23 VAL A 16 4.971 -2.402 -6.575 1.00 30.45 H new ATOM 245 N VAL A 17 1.882 -2.041 -8.077 1.00 62.13 N ATOM 246 CA VAL A 17 0.665 -2.858 -8.039 1.00 43.44 C ATOM 247 C VAL A 17 0.676 -3.842 -6.854 1.00 70.04 C ATOM 248 O VAL A 17 1.601 -4.646 -6.696 1.00 43.23 O ATOM 249 CB VAL A 17 0.455 -3.630 -9.371 1.00 12.14 C ATOM 250 CG1 VAL A 17 1.651 -4.529 -9.689 1.00 11.14 C ATOM 251 CG2 VAL A 17 -0.846 -4.436 -9.331 1.00 24.41 C ATOM 0 H VAL A 17 2.561 -2.328 -8.782 1.00 62.13 H new ATOM 0 HA VAL A 17 -0.170 -2.170 -7.904 1.00 43.44 H new ATOM 0 HB VAL A 17 0.375 -2.897 -10.173 1.00 12.14 H new ATOM 0 HG11 VAL A 17 1.472 -5.055 -10.627 1.00 11.14 H new ATOM 0 HG12 VAL A 17 2.550 -3.920 -9.781 1.00 11.14 H new ATOM 0 HG13 VAL A 17 1.785 -5.254 -8.886 1.00 11.14 H new ATOM 0 HG21 VAL A 17 -0.973 -4.969 -10.273 1.00 24.41 H new ATOM 0 HG22 VAL A 17 -0.804 -5.153 -8.511 1.00 24.41 H new ATOM 0 HG23 VAL A 17 -1.688 -3.761 -9.180 1.00 24.41 H new ATOM 261 N VAL A 18 -0.352 -3.757 -6.013 1.00 30.21 N ATOM 262 CA VAL A 18 -0.479 -4.626 -4.835 1.00 4.35 C ATOM 263 C VAL A 18 -1.848 -5.325 -4.804 1.00 52.42 C ATOM 264 O VAL A 18 -2.878 -4.702 -5.047 1.00 35.30 O ATOM 265 CB VAL A 18 -0.296 -3.819 -3.523 1.00 64.54 C ATOM 266 CG1 VAL A 18 -0.389 -4.730 -2.299 1.00 62.24 C ATOM 267 CG2 VAL A 18 1.029 -3.059 -3.537 1.00 34.11 C ATOM 0 H VAL A 18 -1.117 -3.091 -6.123 1.00 30.21 H new ATOM 0 HA VAL A 18 0.306 -5.378 -4.909 1.00 4.35 H new ATOM 0 HB VAL A 18 -1.105 -3.092 -3.459 1.00 64.54 H new ATOM 0 HG11 VAL A 18 -0.257 -4.138 -1.394 1.00 62.24 H new ATOM 0 HG12 VAL A 18 -1.366 -5.212 -2.278 1.00 62.24 H new ATOM 0 HG13 VAL A 18 0.390 -5.491 -2.352 1.00 62.24 H new ATOM 0 HG21 VAL A 18 1.137 -2.500 -2.608 1.00 34.11 H new ATOM 0 HG22 VAL A 18 1.853 -3.766 -3.633 1.00 34.11 H new ATOM 0 HG23 VAL A 18 1.043 -2.368 -4.380 1.00 34.11 H new ATOM 277 N ARG A 19 -1.849 -6.621 -4.506 1.00 33.33 N ATOM 278 CA ARG A 19 -3.089 -7.404 -4.436 1.00 51.14 C ATOM 279 C ARG A 19 -3.716 -7.392 -3.027 1.00 53.34 C ATOM 280 O ARG A 19 -3.053 -7.698 -2.036 1.00 65.11 O ATOM 281 CB ARG A 19 -2.818 -8.853 -4.876 1.00 14.31 C ATOM 282 CG ARG A 19 -2.966 -9.094 -6.379 1.00 24.32 C ATOM 283 CD ARG A 19 -2.745 -10.564 -6.729 1.00 11.11 C ATOM 284 NE ARG A 19 -3.120 -10.879 -8.108 1.00 30.22 N ATOM 285 CZ ARG A 19 -2.837 -12.008 -8.704 1.00 50.34 C ATOM 286 NH1 ARG A 19 -2.154 -12.922 -8.095 1.00 53.35 N ATOM 287 NH2 ARG A 19 -3.239 -12.215 -9.912 1.00 70.51 N ATOM 0 H ARG A 19 -1.004 -7.157 -4.308 1.00 33.33 H new ATOM 0 HA ARG A 19 -3.805 -6.937 -5.112 1.00 51.14 H new ATOM 0 HB2 ARG A 19 -1.808 -9.129 -4.574 1.00 14.31 H new ATOM 0 HB3 ARG A 19 -3.502 -9.515 -4.345 1.00 14.31 H new ATOM 0 HG2 ARG A 19 -3.960 -8.786 -6.703 1.00 24.32 H new ATOM 0 HG3 ARG A 19 -2.249 -8.477 -6.921 1.00 24.32 H new ATOM 0 HD2 ARG A 19 -1.696 -10.816 -6.576 1.00 11.11 H new ATOM 0 HD3 ARG A 19 -3.325 -11.187 -6.048 1.00 11.11 H new ATOM 0 HE ARG A 19 -3.634 -10.174 -8.637 1.00 30.22 H new ATOM 0 HH11 ARG A 19 -1.830 -12.766 -7.140 1.00 53.35 H new ATOM 0 HH12 ARG A 19 -1.939 -13.799 -8.569 1.00 53.35 H new ATOM 0 HH21 ARG A 19 -3.776 -11.499 -10.400 1.00 70.51 H new ATOM 0 HH22 ARG A 19 -3.019 -13.095 -10.379 1.00 70.51 H new ATOM 301 N LEU A 20 -5.004 -7.048 -2.956 1.00 70.41 N ATOM 302 CA LEU A 20 -5.766 -7.088 -1.695 1.00 51.52 C ATOM 303 C LEU A 20 -7.123 -7.785 -1.902 1.00 43.03 C ATOM 304 O LEU A 20 -7.721 -7.675 -2.970 1.00 11.41 O ATOM 305 CB LEU A 20 -5.983 -5.667 -1.150 1.00 61.44 C ATOM 306 CG LEU A 20 -6.768 -5.578 0.177 1.00 23.33 C ATOM 307 CD1 LEU A 20 -6.051 -6.343 1.290 1.00 50.32 C ATOM 308 CD2 LEU A 20 -6.988 -4.120 0.577 1.00 1.41 C ATOM 0 H LEU A 20 -5.549 -6.736 -3.760 1.00 70.41 H new ATOM 0 HA LEU A 20 -5.188 -7.658 -0.968 1.00 51.52 H new ATOM 0 HB2 LEU A 20 -5.009 -5.198 -1.008 1.00 61.44 H new ATOM 0 HB3 LEU A 20 -6.511 -5.084 -1.904 1.00 61.44 H new ATOM 0 HG LEU A 20 -7.743 -6.042 0.024 1.00 23.33 H new ATOM 0 HD11 LEU A 20 -6.625 -6.264 2.213 1.00 50.32 H new ATOM 0 HD12 LEU A 20 -5.958 -7.392 1.009 1.00 50.32 H new ATOM 0 HD13 LEU A 20 -5.059 -5.919 1.442 1.00 50.32 H new ATOM 0 HD21 LEU A 20 -7.543 -4.080 1.514 1.00 1.41 H new ATOM 0 HD22 LEU A 20 -6.024 -3.628 0.705 1.00 1.41 H new ATOM 0 HD23 LEU A 20 -7.555 -3.610 -0.202 1.00 1.41 H new ATOM 320 N TYR A 21 -7.599 -8.509 -0.887 1.00 64.30 N ATOM 321 CA TYR A 21 -8.864 -9.259 -0.993 1.00 53.45 C ATOM 322 C TYR A 21 -10.055 -8.345 -1.342 1.00 44.11 C ATOM 323 O TYR A 21 -10.201 -7.256 -0.781 1.00 72.45 O ATOM 324 CB TYR A 21 -9.149 -10.023 0.310 1.00 74.41 C ATOM 325 CG TYR A 21 -8.227 -11.206 0.536 1.00 73.20 C ATOM 326 CD1 TYR A 21 -8.549 -12.465 0.037 1.00 72.14 C ATOM 327 CD2 TYR A 21 -7.033 -11.067 1.236 1.00 65.25 C ATOM 328 CE1 TYR A 21 -7.714 -13.547 0.231 1.00 3.02 C ATOM 329 CE2 TYR A 21 -6.189 -12.144 1.431 1.00 23.34 C ATOM 330 CZ TYR A 21 -6.534 -13.383 0.926 1.00 0.54 C ATOM 331 OH TYR A 21 -5.692 -14.461 1.107 1.00 52.13 O ATOM 0 H TYR A 21 -7.134 -8.595 0.017 1.00 64.30 H new ATOM 0 HA TYR A 21 -8.746 -9.971 -1.810 1.00 53.45 H new ATOM 0 HB2 TYR A 21 -9.057 -9.336 1.151 1.00 74.41 H new ATOM 0 HB3 TYR A 21 -10.181 -10.375 0.297 1.00 74.41 H new ATOM 0 HD1 TYR A 21 -9.469 -12.598 -0.512 1.00 72.14 H new ATOM 0 HD2 TYR A 21 -6.761 -10.101 1.634 1.00 65.25 H new ATOM 0 HE1 TYR A 21 -7.983 -14.517 -0.160 1.00 3.02 H new ATOM 0 HE2 TYR A 21 -5.265 -12.018 1.975 1.00 23.34 H new ATOM 0 HH TYR A 21 -5.664 -14.996 0.286 1.00 52.13 H new ATOM 341 N PRO A 22 -10.937 -8.793 -2.266 1.00 70.21 N ATOM 342 CA PRO A 22 -12.100 -8.000 -2.718 1.00 22.52 C ATOM 343 C PRO A 22 -13.061 -7.645 -1.572 1.00 72.44 C ATOM 344 O PRO A 22 -13.802 -6.662 -1.652 1.00 25.10 O ATOM 345 CB PRO A 22 -12.790 -8.920 -3.745 1.00 63.50 C ATOM 346 CG PRO A 22 -12.289 -10.291 -3.432 1.00 35.21 C ATOM 347 CD PRO A 22 -10.882 -10.108 -2.934 1.00 64.34 C ATOM 0 HA PRO A 22 -11.795 -7.038 -3.129 1.00 22.52 H new ATOM 0 HB2 PRO A 22 -13.875 -8.866 -3.657 1.00 63.50 H new ATOM 0 HB3 PRO A 22 -12.539 -8.631 -4.766 1.00 63.50 H new ATOM 0 HG2 PRO A 22 -12.911 -10.772 -2.678 1.00 35.21 H new ATOM 0 HG3 PRO A 22 -12.311 -10.927 -4.317 1.00 35.21 H new ATOM 0 HD2 PRO A 22 -10.592 -10.900 -2.244 1.00 64.34 H new ATOM 0 HD3 PRO A 22 -10.160 -10.116 -3.751 1.00 64.34 H new ATOM 355 N ASP A 23 -13.047 -8.460 -0.513 1.00 35.10 N ATOM 356 CA ASP A 23 -13.849 -8.200 0.687 1.00 33.03 C ATOM 357 C ASP A 23 -13.411 -6.886 1.357 1.00 35.32 C ATOM 358 O ASP A 23 -14.196 -5.941 1.479 1.00 54.14 O ATOM 359 CB ASP A 23 -13.706 -9.362 1.675 1.00 5.53 C ATOM 360 CG ASP A 23 -13.888 -10.711 1.012 1.00 2.23 C ATOM 361 OD1 ASP A 23 -12.886 -11.265 0.510 1.00 72.00 O ATOM 362 OD2 ASP A 23 -15.027 -11.220 0.981 1.00 74.51 O ATOM 0 H ASP A 23 -12.486 -9.310 -0.462 1.00 35.10 H new ATOM 0 HA ASP A 23 -14.894 -8.108 0.391 1.00 33.03 H new ATOM 0 HB2 ASP A 23 -12.722 -9.320 2.141 1.00 5.53 H new ATOM 0 HB3 ASP A 23 -14.441 -9.250 2.472 1.00 5.53 H new ATOM 367 N GLU A 24 -12.145 -6.835 1.781 1.00 63.43 N ATOM 368 CA GLU A 24 -11.568 -5.620 2.370 1.00 54.11 C ATOM 369 C GLU A 24 -11.721 -4.416 1.429 1.00 74.01 C ATOM 370 O GLU A 24 -12.088 -3.327 1.863 1.00 41.34 O ATOM 371 CB GLU A 24 -10.080 -5.827 2.715 1.00 11.15 C ATOM 372 CG GLU A 24 -9.822 -6.698 3.947 1.00 14.40 C ATOM 373 CD GLU A 24 -10.216 -8.156 3.757 1.00 12.45 C ATOM 374 OE1 GLU A 24 -9.370 -8.953 3.309 1.00 42.11 O ATOM 375 OE2 GLU A 24 -11.373 -8.515 4.060 1.00 65.22 O ATOM 0 H GLU A 24 -11.498 -7.622 1.728 1.00 63.43 H new ATOM 0 HA GLU A 24 -12.118 -5.413 3.288 1.00 54.11 H new ATOM 0 HB2 GLU A 24 -9.582 -6.279 1.857 1.00 11.15 H new ATOM 0 HB3 GLU A 24 -9.619 -4.852 2.874 1.00 11.15 H new ATOM 0 HG2 GLU A 24 -8.764 -6.647 4.202 1.00 14.40 H new ATOM 0 HG3 GLU A 24 -10.374 -6.289 4.793 1.00 14.40 H new ATOM 382 N ILE A 25 -11.443 -4.620 0.139 1.00 72.23 N ATOM 383 CA ILE A 25 -11.582 -3.556 -0.863 1.00 61.51 C ATOM 384 C ILE A 25 -13.032 -3.045 -0.954 1.00 35.52 C ATOM 385 O ILE A 25 -13.267 -1.844 -1.109 1.00 61.43 O ATOM 386 CB ILE A 25 -11.111 -4.031 -2.263 1.00 41.13 C ATOM 387 CG1 ILE A 25 -9.620 -4.406 -2.224 1.00 13.03 C ATOM 388 CG2 ILE A 25 -11.371 -2.955 -3.322 1.00 22.51 C ATOM 389 CD1 ILE A 25 -9.066 -4.866 -3.556 1.00 50.20 C ATOM 0 H ILE A 25 -11.120 -5.511 -0.238 1.00 72.23 H new ATOM 0 HA ILE A 25 -10.944 -2.735 -0.536 1.00 61.51 H new ATOM 0 HB ILE A 25 -11.685 -4.916 -2.537 1.00 41.13 H new ATOM 0 HG12 ILE A 25 -9.048 -3.544 -1.882 1.00 13.03 H new ATOM 0 HG13 ILE A 25 -9.474 -5.197 -1.489 1.00 13.03 H new ATOM 0 HG21 ILE A 25 -11.032 -3.312 -4.294 1.00 22.51 H new ATOM 0 HG22 ILE A 25 -12.438 -2.739 -3.367 1.00 22.51 H new ATOM 0 HG23 ILE A 25 -10.828 -2.047 -3.059 1.00 22.51 H new ATOM 0 HD11 ILE A 25 -8.010 -5.112 -3.445 1.00 50.20 H new ATOM 0 HD12 ILE A 25 -9.611 -5.748 -3.891 1.00 50.20 H new ATOM 0 HD13 ILE A 25 -9.178 -4.069 -4.291 1.00 50.20 H new ATOM 401 N GLU A 26 -13.998 -3.958 -0.845 1.00 51.12 N ATOM 402 CA GLU A 26 -15.420 -3.596 -0.895 1.00 61.31 C ATOM 403 C GLU A 26 -15.793 -2.663 0.268 1.00 73.42 C ATOM 404 O GLU A 26 -16.331 -1.572 0.057 1.00 30.03 O ATOM 405 CB GLU A 26 -16.290 -4.864 -0.868 1.00 41.53 C ATOM 406 CG GLU A 26 -17.788 -4.607 -1.028 1.00 33.02 C ATOM 407 CD GLU A 26 -18.128 -3.880 -2.322 1.00 42.21 C ATOM 408 OE1 GLU A 26 -17.731 -4.356 -3.409 1.00 1.31 O ATOM 409 OE2 GLU A 26 -18.799 -2.826 -2.264 1.00 11.14 O ATOM 0 H GLU A 26 -13.824 -4.955 -0.721 1.00 51.12 H new ATOM 0 HA GLU A 26 -15.605 -3.061 -1.827 1.00 61.31 H new ATOM 0 HB2 GLU A 26 -15.962 -5.532 -1.664 1.00 41.53 H new ATOM 0 HB3 GLU A 26 -16.122 -5.385 0.075 1.00 41.53 H new ATOM 0 HG2 GLU A 26 -18.320 -5.558 -1.001 1.00 33.02 H new ATOM 0 HG3 GLU A 26 -18.143 -4.019 -0.182 1.00 33.02 H new ATOM 416 N ALA A 27 -15.483 -3.093 1.489 1.00 41.52 N ATOM 417 CA ALA A 27 -15.722 -2.274 2.682 1.00 70.34 C ATOM 418 C ALA A 27 -14.871 -0.993 2.654 1.00 0.11 C ATOM 419 O ALA A 27 -15.294 0.062 3.130 1.00 52.25 O ATOM 420 CB ALA A 27 -15.422 -3.084 3.941 1.00 15.25 C ATOM 0 H ALA A 27 -15.066 -4.004 1.682 1.00 41.52 H new ATOM 0 HA ALA A 27 -16.771 -1.980 2.690 1.00 70.34 H new ATOM 0 HB1 ALA A 27 -15.602 -2.468 4.822 1.00 15.25 H new ATOM 0 HB2 ALA A 27 -16.069 -3.960 3.973 1.00 15.25 H new ATOM 0 HB3 ALA A 27 -14.380 -3.403 3.929 1.00 15.25 H new ATOM 426 N LEU A 28 -13.672 -1.099 2.081 1.00 72.51 N ATOM 427 CA LEU A 28 -12.748 0.031 1.961 1.00 23.15 C ATOM 428 C LEU A 28 -13.364 1.183 1.153 1.00 11.20 C ATOM 429 O LEU A 28 -13.637 2.256 1.692 1.00 23.23 O ATOM 430 CB LEU A 28 -11.449 -0.432 1.288 1.00 53.11 C ATOM 431 CG LEU A 28 -10.357 0.638 1.135 1.00 55.21 C ATOM 432 CD1 LEU A 28 -9.822 1.062 2.497 1.00 61.41 C ATOM 433 CD2 LEU A 28 -9.231 0.126 0.240 1.00 13.50 C ATOM 0 H LEU A 28 -13.313 -1.969 1.687 1.00 72.51 H new ATOM 0 HA LEU A 28 -12.537 0.399 2.965 1.00 23.15 H new ATOM 0 HB2 LEU A 28 -11.040 -1.262 1.864 1.00 53.11 H new ATOM 0 HB3 LEU A 28 -11.693 -0.820 0.299 1.00 53.11 H new ATOM 0 HG LEU A 28 -10.797 1.515 0.661 1.00 55.21 H new ATOM 0 HD11 LEU A 28 -9.050 1.820 2.365 1.00 61.41 H new ATOM 0 HD12 LEU A 28 -10.635 1.473 3.096 1.00 61.41 H new ATOM 0 HD13 LEU A 28 -9.398 0.197 3.007 1.00 61.41 H new ATOM 0 HD21 LEU A 28 -8.466 0.896 0.142 1.00 13.50 H new ATOM 0 HD22 LEU A 28 -8.792 -0.768 0.683 1.00 13.50 H new ATOM 0 HD23 LEU A 28 -9.631 -0.116 -0.745 1.00 13.50 H new ATOM 445 N LYS A 29 -13.600 0.942 -0.137 1.00 74.04 N ATOM 446 CA LYS A 29 -14.123 1.978 -1.043 1.00 23.14 C ATOM 447 C LYS A 29 -15.496 2.505 -0.592 1.00 43.00 C ATOM 448 O LYS A 29 -15.924 3.583 -1.005 1.00 20.51 O ATOM 449 CB LYS A 29 -14.207 1.439 -2.478 1.00 13.03 C ATOM 450 CG LYS A 29 -15.100 0.210 -2.632 1.00 3.41 C ATOM 451 CD LYS A 29 -15.070 -0.334 -4.057 1.00 44.50 C ATOM 452 CE LYS A 29 -15.912 -1.597 -4.198 1.00 22.54 C ATOM 453 NZ LYS A 29 -17.350 -1.348 -3.917 1.00 52.53 N ATOM 0 H LYS A 29 -13.439 0.039 -0.583 1.00 74.04 H new ATOM 0 HA LYS A 29 -13.426 2.816 -1.012 1.00 23.14 H new ATOM 0 HB2 LYS A 29 -14.579 2.229 -3.130 1.00 13.03 H new ATOM 0 HB3 LYS A 29 -13.203 1.190 -2.820 1.00 13.03 H new ATOM 0 HG2 LYS A 29 -14.774 -0.566 -1.939 1.00 3.41 H new ATOM 0 HG3 LYS A 29 -16.124 0.468 -2.362 1.00 3.41 H new ATOM 0 HD2 LYS A 29 -15.438 0.427 -4.745 1.00 44.50 H new ATOM 0 HD3 LYS A 29 -14.040 -0.550 -4.342 1.00 44.50 H new ATOM 0 HE2 LYS A 29 -15.804 -1.992 -5.208 1.00 22.54 H new ATOM 0 HE3 LYS A 29 -15.537 -2.360 -3.515 1.00 22.54 H new ATOM 0 HZ1 LYS A 29 -17.933 -1.868 -4.604 1.00 52.53 H new ATOM 0 HZ2 LYS A 29 -17.577 -1.672 -2.955 1.00 52.53 H new ATOM 0 HZ3 LYS A 29 -17.548 -0.330 -3.995 1.00 52.53 H new ATOM 467 N SER A 30 -16.187 1.741 0.249 1.00 45.03 N ATOM 468 CA SER A 30 -17.467 2.186 0.815 1.00 72.31 C ATOM 469 C SER A 30 -17.270 3.330 1.826 1.00 14.32 C ATOM 470 O SER A 30 -18.071 4.266 1.884 1.00 25.42 O ATOM 471 CB SER A 30 -18.190 1.015 1.497 1.00 12.13 C ATOM 472 OG SER A 30 -19.438 1.419 2.046 1.00 24.12 O ATOM 0 H SER A 30 -15.889 0.815 0.555 1.00 45.03 H new ATOM 0 HA SER A 30 -18.076 2.557 -0.009 1.00 72.31 H new ATOM 0 HB2 SER A 30 -18.352 0.216 0.774 1.00 12.13 H new ATOM 0 HB3 SER A 30 -17.559 0.607 2.287 1.00 12.13 H new ATOM 0 HG SER A 30 -19.873 0.650 2.471 1.00 24.12 H new ATOM 478 N ARG A 31 -16.184 3.267 2.604 1.00 74.43 N ATOM 479 CA ARG A 31 -15.958 4.224 3.702 1.00 23.31 C ATOM 480 C ARG A 31 -14.845 5.247 3.390 1.00 45.01 C ATOM 481 O ARG A 31 -14.356 5.930 4.291 1.00 31.52 O ATOM 482 CB ARG A 31 -15.621 3.459 4.992 1.00 60.52 C ATOM 483 CG ARG A 31 -14.273 2.742 4.960 1.00 25.43 C ATOM 484 CD ARG A 31 -13.995 2.005 6.266 1.00 64.45 C ATOM 485 NE ARG A 31 -12.635 1.474 6.322 1.00 1.12 N ATOM 486 CZ ARG A 31 -12.184 0.718 7.285 1.00 4.32 C ATOM 487 NH1 ARG A 31 -12.946 0.375 8.277 1.00 3.13 N ATOM 488 NH2 ARG A 31 -10.956 0.325 7.264 1.00 21.30 N ATOM 0 H ARG A 31 -15.449 2.568 2.498 1.00 74.43 H new ATOM 0 HA ARG A 31 -16.880 4.791 3.828 1.00 23.31 H new ATOM 0 HB2 ARG A 31 -15.628 4.158 5.828 1.00 60.52 H new ATOM 0 HB3 ARG A 31 -16.405 2.726 5.182 1.00 60.52 H new ATOM 0 HG2 ARG A 31 -14.257 2.033 4.132 1.00 25.43 H new ATOM 0 HG3 ARG A 31 -13.480 3.466 4.775 1.00 25.43 H new ATOM 0 HD2 ARG A 31 -14.153 2.683 7.105 1.00 64.45 H new ATOM 0 HD3 ARG A 31 -14.707 1.188 6.379 1.00 64.45 H new ATOM 0 HE ARG A 31 -11.998 1.709 5.561 1.00 1.12 H new ATOM 0 HH11 ARG A 31 -13.913 0.697 8.312 1.00 3.13 H new ATOM 0 HH12 ARG A 31 -12.578 -0.217 9.022 1.00 3.13 H new ATOM 0 HH21 ARG A 31 -10.344 0.605 6.498 1.00 21.30 H new ATOM 0 HH22 ARG A 31 -10.597 -0.266 8.014 1.00 21.30 H new ATOM 502 N VAL A 32 -14.438 5.356 2.126 1.00 43.31 N ATOM 503 CA VAL A 32 -13.439 6.360 1.733 1.00 22.13 C ATOM 504 C VAL A 32 -14.096 7.718 1.417 1.00 32.13 C ATOM 505 O VAL A 32 -15.157 7.770 0.792 1.00 53.01 O ATOM 506 CB VAL A 32 -12.604 5.902 0.505 1.00 24.14 C ATOM 507 CG1 VAL A 32 -11.810 4.637 0.828 1.00 64.12 C ATOM 508 CG2 VAL A 32 -13.496 5.693 -0.722 1.00 42.31 C ATOM 0 H VAL A 32 -14.777 4.771 1.362 1.00 43.31 H new ATOM 0 HA VAL A 32 -12.772 6.474 2.587 1.00 22.13 H new ATOM 0 HB VAL A 32 -11.894 6.694 0.268 1.00 24.14 H new ATOM 0 HG11 VAL A 32 -11.234 4.336 -0.047 1.00 64.12 H new ATOM 0 HG12 VAL A 32 -11.132 4.835 1.659 1.00 64.12 H new ATOM 0 HG13 VAL A 32 -12.497 3.837 1.103 1.00 64.12 H new ATOM 0 HG21 VAL A 32 -12.885 5.373 -1.566 1.00 42.31 H new ATOM 0 HG22 VAL A 32 -14.242 4.929 -0.504 1.00 42.31 H new ATOM 0 HG23 VAL A 32 -13.997 6.628 -0.971 1.00 42.31 H new ATOM 518 N PRO A 33 -13.491 8.835 1.867 1.00 25.50 N ATOM 519 CA PRO A 33 -13.969 10.186 1.519 1.00 21.43 C ATOM 520 C PRO A 33 -13.898 10.451 0.007 1.00 11.41 C ATOM 521 O PRO A 33 -12.861 10.238 -0.615 1.00 3.11 O ATOM 522 CB PRO A 33 -13.006 11.118 2.276 1.00 71.24 C ATOM 523 CG PRO A 33 -12.398 10.266 3.342 1.00 23.31 C ATOM 524 CD PRO A 33 -12.320 8.881 2.762 1.00 5.31 C ATOM 0 HA PRO A 33 -15.015 10.331 1.788 1.00 21.43 H new ATOM 0 HB2 PRO A 33 -12.243 11.521 1.610 1.00 71.24 H new ATOM 0 HB3 PRO A 33 -13.536 11.968 2.705 1.00 71.24 H new ATOM 0 HG2 PRO A 33 -11.409 10.631 3.618 1.00 23.31 H new ATOM 0 HG3 PRO A 33 -13.006 10.278 4.247 1.00 23.31 H new ATOM 0 HD2 PRO A 33 -11.389 8.722 2.218 1.00 5.31 H new ATOM 0 HD3 PRO A 33 -12.372 8.115 3.536 1.00 5.31 H new ATOM 532 N ALA A 34 -14.994 10.939 -0.574 1.00 33.12 N ATOM 533 CA ALA A 34 -15.088 11.148 -2.029 1.00 35.41 C ATOM 534 C ALA A 34 -13.906 11.960 -2.598 1.00 22.21 C ATOM 535 O ALA A 34 -13.473 11.730 -3.729 1.00 42.12 O ATOM 536 CB ALA A 34 -16.411 11.821 -2.373 1.00 53.21 C ATOM 0 H ALA A 34 -15.836 11.200 -0.061 1.00 33.12 H new ATOM 0 HA ALA A 34 -15.042 10.165 -2.497 1.00 35.41 H new ATOM 0 HB1 ALA A 34 -16.473 11.972 -3.451 1.00 53.21 H new ATOM 0 HB2 ALA A 34 -17.237 11.188 -2.047 1.00 53.21 H new ATOM 0 HB3 ALA A 34 -16.471 12.785 -1.867 1.00 53.21 H new ATOM 542 N ASN A 35 -13.388 12.906 -1.815 1.00 52.44 N ATOM 543 CA ASN A 35 -12.234 13.713 -2.239 1.00 12.42 C ATOM 544 C ASN A 35 -10.949 12.869 -2.348 1.00 3.15 C ATOM 545 O ASN A 35 -10.097 13.127 -3.202 1.00 73.34 O ATOM 546 CB ASN A 35 -12.013 14.878 -1.268 1.00 12.41 C ATOM 547 CG ASN A 35 -13.186 15.840 -1.243 1.00 41.11 C ATOM 548 OD1 ASN A 35 -13.897 16.002 -2.230 1.00 63.42 O ATOM 549 ND2 ASN A 35 -13.401 16.484 -0.114 1.00 72.13 N ATOM 0 H ASN A 35 -13.744 13.135 -0.887 1.00 52.44 H new ATOM 0 HA ASN A 35 -12.459 14.105 -3.231 1.00 12.42 H new ATOM 0 HB2 ASN A 35 -11.847 14.485 -0.265 1.00 12.41 H new ATOM 0 HB3 ASN A 35 -11.110 15.418 -1.552 1.00 12.41 H new ATOM 0 HD21 ASN A 35 -14.178 17.141 -0.042 1.00 72.13 H new ATOM 0 HD22 ASN A 35 -12.790 16.326 0.688 1.00 72.13 H new ATOM 556 N THR A 36 -10.821 11.860 -1.492 1.00 12.31 N ATOM 557 CA THR A 36 -9.624 11.002 -1.464 1.00 32.01 C ATOM 558 C THR A 36 -9.937 9.590 -1.982 1.00 13.35 C ATOM 559 O THR A 36 -10.529 8.773 -1.274 1.00 72.02 O ATOM 560 CB THR A 36 -9.037 10.901 -0.032 1.00 22.31 C ATOM 561 OG1 THR A 36 -8.755 12.213 0.476 1.00 44.43 O ATOM 562 CG2 THR A 36 -7.757 10.068 -0.008 1.00 34.53 C ATOM 0 H THR A 36 -11.530 11.610 -0.803 1.00 12.31 H new ATOM 0 HA THR A 36 -8.887 11.466 -2.119 1.00 32.01 H new ATOM 0 HB THR A 36 -9.780 10.409 0.595 1.00 22.31 H new ATOM 0 HG1 THR A 36 -8.386 12.141 1.381 1.00 44.43 H new ATOM 0 HG21 THR A 36 -7.374 10.019 1.011 1.00 34.53 H new ATOM 0 HG22 THR A 36 -7.972 9.060 -0.364 1.00 34.53 H new ATOM 0 HG23 THR A 36 -7.010 10.529 -0.654 1.00 34.53 H new ATOM 570 N SER A 37 -9.538 9.307 -3.221 1.00 64.42 N ATOM 571 CA SER A 37 -9.816 8.007 -3.852 1.00 14.32 C ATOM 572 C SER A 37 -8.827 6.923 -3.387 1.00 65.43 C ATOM 573 O SER A 37 -7.958 7.178 -2.551 1.00 3.00 O ATOM 574 CB SER A 37 -9.774 8.136 -5.381 1.00 62.04 C ATOM 575 OG SER A 37 -8.491 8.533 -5.836 1.00 42.03 O ATOM 0 H SER A 37 -9.021 9.957 -3.812 1.00 64.42 H new ATOM 0 HA SER A 37 -10.815 7.701 -3.543 1.00 14.32 H new ATOM 0 HB2 SER A 37 -10.043 7.182 -5.835 1.00 62.04 H new ATOM 0 HB3 SER A 37 -10.517 8.864 -5.706 1.00 62.04 H new ATOM 0 HG SER A 37 -8.498 8.604 -6.813 1.00 42.03 H new ATOM 581 N MET A 38 -8.957 5.714 -3.945 1.00 21.24 N ATOM 582 CA MET A 38 -8.156 4.555 -3.508 1.00 24.12 C ATOM 583 C MET A 38 -6.642 4.846 -3.476 1.00 3.03 C ATOM 584 O MET A 38 -5.961 4.507 -2.510 1.00 71.54 O ATOM 585 CB MET A 38 -8.425 3.353 -4.424 1.00 61.22 C ATOM 586 CG MET A 38 -9.878 2.899 -4.439 1.00 2.33 C ATOM 587 SD MET A 38 -10.145 1.486 -5.527 1.00 63.44 S ATOM 588 CE MET A 38 -11.922 1.295 -5.414 1.00 14.55 C ATOM 0 H MET A 38 -9.609 5.508 -4.702 1.00 21.24 H new ATOM 0 HA MET A 38 -8.465 4.331 -2.487 1.00 24.12 H new ATOM 0 HB2 MET A 38 -8.125 3.609 -5.440 1.00 61.22 H new ATOM 0 HB3 MET A 38 -7.798 2.520 -4.107 1.00 61.22 H new ATOM 0 HG2 MET A 38 -10.185 2.637 -3.426 1.00 2.33 H new ATOM 0 HG3 MET A 38 -10.511 3.726 -4.760 1.00 2.33 H new ATOM 0 HE1 MET A 38 -12.157 0.319 -4.989 1.00 14.55 H new ATOM 0 HE2 MET A 38 -12.332 2.077 -4.775 1.00 14.55 H new ATOM 0 HE3 MET A 38 -12.360 1.373 -6.409 1.00 14.55 H new ATOM 598 N SER A 39 -6.125 5.476 -4.531 1.00 24.21 N ATOM 599 CA SER A 39 -4.676 5.716 -4.668 1.00 74.42 C ATOM 600 C SER A 39 -4.087 6.482 -3.467 1.00 10.11 C ATOM 601 O SER A 39 -3.226 5.961 -2.750 1.00 62.41 O ATOM 602 CB SER A 39 -4.382 6.474 -5.971 1.00 33.02 C ATOM 603 OG SER A 39 -5.141 7.672 -6.056 1.00 13.12 O ATOM 0 H SER A 39 -6.683 5.832 -5.307 1.00 24.21 H new ATOM 0 HA SER A 39 -4.194 4.739 -4.696 1.00 74.42 H new ATOM 0 HB2 SER A 39 -3.319 6.710 -6.025 1.00 33.02 H new ATOM 0 HB3 SER A 39 -4.610 5.836 -6.825 1.00 33.02 H new ATOM 0 HG SER A 39 -4.931 8.133 -6.895 1.00 13.12 H new ATOM 609 N ALA A 40 -4.551 7.711 -3.244 1.00 14.42 N ATOM 610 CA ALA A 40 -4.053 8.530 -2.129 1.00 14.33 C ATOM 611 C ALA A 40 -4.455 7.946 -0.764 1.00 33.44 C ATOM 612 O ALA A 40 -3.697 8.032 0.206 1.00 51.12 O ATOM 613 CB ALA A 40 -4.548 9.967 -2.259 1.00 74.14 C ATOM 0 H ALA A 40 -5.266 8.163 -3.814 1.00 14.42 H new ATOM 0 HA ALA A 40 -2.964 8.524 -2.181 1.00 14.33 H new ATOM 0 HB1 ALA A 40 -4.170 10.559 -1.425 1.00 74.14 H new ATOM 0 HB2 ALA A 40 -4.190 10.392 -3.197 1.00 74.14 H new ATOM 0 HB3 ALA A 40 -5.638 9.979 -2.247 1.00 74.14 H new ATOM 619 N TYR A 41 -5.643 7.342 -0.695 1.00 11.42 N ATOM 620 CA TYR A 41 -6.141 6.757 0.555 1.00 41.04 C ATOM 621 C TYR A 41 -5.221 5.622 1.041 1.00 25.42 C ATOM 622 O TYR A 41 -4.830 5.583 2.208 1.00 2.53 O ATOM 623 CB TYR A 41 -7.575 6.243 0.364 1.00 4.34 C ATOM 624 CG TYR A 41 -8.268 5.869 1.660 1.00 2.14 C ATOM 625 CD1 TYR A 41 -8.886 6.839 2.445 1.00 52.51 C ATOM 626 CD2 TYR A 41 -8.307 4.550 2.099 1.00 35.54 C ATOM 627 CE1 TYR A 41 -9.517 6.507 3.628 1.00 4.32 C ATOM 628 CE2 TYR A 41 -8.936 4.213 3.279 1.00 3.44 C ATOM 629 CZ TYR A 41 -9.541 5.191 4.040 1.00 14.21 C ATOM 630 OH TYR A 41 -10.166 4.849 5.217 1.00 73.35 O ATOM 0 H TYR A 41 -6.278 7.244 -1.487 1.00 11.42 H new ATOM 0 HA TYR A 41 -6.144 7.535 1.318 1.00 41.04 H new ATOM 0 HB2 TYR A 41 -8.161 7.009 -0.143 1.00 4.34 H new ATOM 0 HB3 TYR A 41 -7.555 5.372 -0.291 1.00 4.34 H new ATOM 0 HD1 TYR A 41 -8.872 7.870 2.123 1.00 52.51 H new ATOM 0 HD2 TYR A 41 -7.838 3.778 1.507 1.00 35.54 H new ATOM 0 HE1 TYR A 41 -9.988 7.273 4.226 1.00 4.32 H new ATOM 0 HE2 TYR A 41 -8.955 3.184 3.607 1.00 3.44 H new ATOM 0 HH TYR A 41 -10.091 3.882 5.358 1.00 73.35 H new ATOM 640 N ILE A 42 -4.868 4.709 0.138 1.00 61.22 N ATOM 641 CA ILE A 42 -3.945 3.619 0.470 1.00 11.42 C ATOM 642 C ILE A 42 -2.533 4.156 0.761 1.00 52.44 C ATOM 643 O ILE A 42 -1.831 3.645 1.636 1.00 30.32 O ATOM 644 CB ILE A 42 -3.876 2.562 -0.664 1.00 61.30 C ATOM 645 CG1 ILE A 42 -5.253 1.900 -0.864 1.00 62.40 C ATOM 646 CG2 ILE A 42 -2.812 1.504 -0.361 1.00 14.52 C ATOM 647 CD1 ILE A 42 -5.766 1.161 0.358 1.00 75.24 C ATOM 0 H ILE A 42 -5.204 4.700 -0.825 1.00 61.22 H new ATOM 0 HA ILE A 42 -4.334 3.138 1.368 1.00 11.42 H new ATOM 0 HB ILE A 42 -3.595 3.070 -1.587 1.00 61.30 H new ATOM 0 HG12 ILE A 42 -5.976 2.667 -1.142 1.00 62.40 H new ATOM 0 HG13 ILE A 42 -5.191 1.202 -1.699 1.00 62.40 H new ATOM 0 HG21 ILE A 42 -2.783 0.775 -1.171 1.00 14.52 H new ATOM 0 HG22 ILE A 42 -1.837 1.984 -0.270 1.00 14.52 H new ATOM 0 HG23 ILE A 42 -3.057 0.999 0.574 1.00 14.52 H new ATOM 0 HD11 ILE A 42 -6.739 0.723 0.137 1.00 75.24 H new ATOM 0 HD12 ILE A 42 -5.065 0.370 0.626 1.00 75.24 H new ATOM 0 HD13 ILE A 42 -5.862 1.858 1.191 1.00 75.24 H new ATOM 659 N ARG A 43 -2.128 5.199 0.034 1.00 34.24 N ATOM 660 CA ARG A 43 -0.805 5.806 0.226 1.00 51.32 C ATOM 661 C ARG A 43 -0.621 6.300 1.669 1.00 55.13 C ATOM 662 O ARG A 43 0.357 5.960 2.329 1.00 53.23 O ATOM 663 CB ARG A 43 -0.586 6.974 -0.745 1.00 24.04 C ATOM 664 CG ARG A 43 0.839 7.524 -0.718 1.00 1.23 C ATOM 665 CD ARG A 43 1.024 8.703 -1.667 1.00 23.44 C ATOM 666 NE ARG A 43 0.374 9.912 -1.172 1.00 31.32 N ATOM 667 CZ ARG A 43 0.652 11.116 -1.590 1.00 74.14 C ATOM 668 NH1 ARG A 43 1.493 11.306 -2.558 1.00 13.50 N ATOM 669 NH2 ARG A 43 0.080 12.132 -1.040 1.00 51.23 N ATOM 0 H ARG A 43 -2.693 5.641 -0.691 1.00 34.24 H new ATOM 0 HA ARG A 43 -0.066 5.031 0.023 1.00 51.32 H new ATOM 0 HB2 ARG A 43 -0.822 6.645 -1.757 1.00 24.04 H new ATOM 0 HB3 ARG A 43 -1.282 7.776 -0.500 1.00 24.04 H new ATOM 0 HG2 ARG A 43 1.086 7.835 0.297 1.00 1.23 H new ATOM 0 HG3 ARG A 43 1.537 6.731 -0.987 1.00 1.23 H new ATOM 0 HD2 ARG A 43 2.088 8.894 -1.804 1.00 23.44 H new ATOM 0 HD3 ARG A 43 0.617 8.448 -2.646 1.00 23.44 H new ATOM 0 HE ARG A 43 -0.343 9.809 -0.454 1.00 31.32 H new ATOM 0 HH11 ARG A 43 1.947 10.508 -3.003 1.00 13.50 H new ATOM 0 HH12 ARG A 43 1.701 12.253 -2.875 1.00 13.50 H new ATOM 0 HH21 ARG A 43 -0.587 11.993 -0.281 1.00 51.23 H new ATOM 0 HH22 ARG A 43 0.295 13.075 -1.364 1.00 51.23 H new ATOM 683 N ARG A 44 -1.568 7.103 2.155 1.00 61.41 N ATOM 684 CA ARG A 44 -1.504 7.622 3.527 1.00 20.42 C ATOM 685 C ARG A 44 -1.586 6.483 4.565 1.00 51.50 C ATOM 686 O ARG A 44 -1.016 6.581 5.653 1.00 10.23 O ATOM 687 CB ARG A 44 -2.615 8.662 3.758 1.00 34.24 C ATOM 688 CG ARG A 44 -4.032 8.106 3.633 1.00 24.24 C ATOM 689 CD ARG A 44 -5.075 9.215 3.520 1.00 42.11 C ATOM 690 NE ARG A 44 -5.030 10.143 4.649 1.00 1.25 N ATOM 691 CZ ARG A 44 -5.603 11.318 4.654 1.00 22.05 C ATOM 692 NH1 ARG A 44 -6.269 11.734 3.626 1.00 14.32 N ATOM 693 NH2 ARG A 44 -5.511 12.078 5.694 1.00 10.22 N ATOM 0 H ARG A 44 -2.385 7.408 1.625 1.00 61.41 H new ATOM 0 HA ARG A 44 -0.539 8.112 3.659 1.00 20.42 H new ATOM 0 HB2 ARG A 44 -2.493 9.093 4.752 1.00 34.24 H new ATOM 0 HB3 ARG A 44 -2.491 9.474 3.041 1.00 34.24 H new ATOM 0 HG2 ARG A 44 -4.092 7.461 2.756 1.00 24.24 H new ATOM 0 HG3 ARG A 44 -4.256 7.485 4.501 1.00 24.24 H new ATOM 0 HD2 ARG A 44 -4.915 9.767 2.594 1.00 42.11 H new ATOM 0 HD3 ARG A 44 -6.068 8.770 3.459 1.00 42.11 H new ATOM 0 HE ARG A 44 -4.520 9.856 5.484 1.00 1.25 H new ATOM 0 HH11 ARG A 44 -6.352 11.143 2.799 1.00 14.32 H new ATOM 0 HH12 ARG A 44 -6.711 12.653 3.643 1.00 14.32 H new ATOM 0 HH21 ARG A 44 -4.991 11.762 6.512 1.00 10.22 H new ATOM 0 HH22 ARG A 44 -5.958 12.995 5.697 1.00 10.22 H new ATOM 707 N ILE A 45 -2.288 5.401 4.216 1.00 34.40 N ATOM 708 CA ILE A 45 -2.359 4.204 5.071 1.00 11.24 C ATOM 709 C ILE A 45 -0.972 3.561 5.252 1.00 13.32 C ATOM 710 O ILE A 45 -0.476 3.428 6.375 1.00 21.12 O ATOM 711 CB ILE A 45 -3.344 3.148 4.492 1.00 60.24 C ATOM 712 CG1 ILE A 45 -4.801 3.625 4.638 1.00 43.54 C ATOM 713 CG2 ILE A 45 -3.150 1.782 5.158 1.00 63.54 C ATOM 714 CD1 ILE A 45 -5.826 2.638 4.111 1.00 65.35 C ATOM 0 H ILE A 45 -2.817 5.326 3.347 1.00 34.40 H new ATOM 0 HA ILE A 45 -2.727 4.534 6.043 1.00 11.24 H new ATOM 0 HB ILE A 45 -3.125 3.034 3.430 1.00 60.24 H new ATOM 0 HG12 ILE A 45 -5.006 3.819 5.691 1.00 43.54 H new ATOM 0 HG13 ILE A 45 -4.918 4.572 4.111 1.00 43.54 H new ATOM 0 HG21 ILE A 45 -3.853 1.066 4.732 1.00 63.54 H new ATOM 0 HG22 ILE A 45 -2.131 1.435 4.987 1.00 63.54 H new ATOM 0 HG23 ILE A 45 -3.328 1.871 6.230 1.00 63.54 H new ATOM 0 HD11 ILE A 45 -6.828 3.045 4.249 1.00 65.35 H new ATOM 0 HD12 ILE A 45 -5.649 2.461 3.050 1.00 65.35 H new ATOM 0 HD13 ILE A 45 -5.739 1.697 4.655 1.00 65.35 H new ATOM 726 N ILE A 46 -0.352 3.158 4.143 1.00 74.51 N ATOM 727 CA ILE A 46 0.971 2.524 4.190 1.00 65.01 C ATOM 728 C ILE A 46 2.050 3.495 4.696 1.00 34.43 C ATOM 729 O ILE A 46 2.962 3.097 5.420 1.00 71.04 O ATOM 730 CB ILE A 46 1.393 1.961 2.808 1.00 14.53 C ATOM 731 CG1 ILE A 46 1.444 3.080 1.752 1.00 42.21 C ATOM 732 CG2 ILE A 46 0.437 0.850 2.371 1.00 43.31 C ATOM 733 CD1 ILE A 46 1.828 2.607 0.366 1.00 50.55 C ATOM 0 H ILE A 46 -0.740 3.257 3.205 1.00 74.51 H new ATOM 0 HA ILE A 46 0.885 1.695 4.893 1.00 65.01 H new ATOM 0 HB ILE A 46 2.394 1.540 2.901 1.00 14.53 H new ATOM 0 HG12 ILE A 46 0.468 3.562 1.702 1.00 42.21 H new ATOM 0 HG13 ILE A 46 2.157 3.838 2.076 1.00 42.21 H new ATOM 0 HG21 ILE A 46 0.746 0.465 1.399 1.00 43.31 H new ATOM 0 HG22 ILE A 46 0.457 0.043 3.104 1.00 43.31 H new ATOM 0 HG23 ILE A 46 -0.575 1.249 2.298 1.00 43.31 H new ATOM 0 HD11 ILE A 46 1.841 3.456 -0.318 1.00 50.55 H new ATOM 0 HD12 ILE A 46 2.818 2.152 0.398 1.00 50.55 H new ATOM 0 HD13 ILE A 46 1.102 1.872 0.018 1.00 50.55 H new ATOM 745 N LEU A 47 1.929 4.769 4.325 1.00 4.21 N ATOM 746 CA LEU A 47 2.889 5.797 4.744 1.00 21.41 C ATOM 747 C LEU A 47 2.925 5.933 6.272 1.00 62.12 C ATOM 748 O LEU A 47 3.991 5.856 6.886 1.00 32.41 O ATOM 749 CB LEU A 47 2.539 7.147 4.103 1.00 25.35 C ATOM 750 CG LEU A 47 3.558 8.270 4.346 1.00 3.11 C ATOM 751 CD1 LEU A 47 4.927 7.879 3.797 1.00 43.44 C ATOM 752 CD2 LEU A 47 3.079 9.577 3.719 1.00 55.44 C ATOM 0 H LEU A 47 1.175 5.117 3.734 1.00 4.21 H new ATOM 0 HA LEU A 47 3.879 5.488 4.407 1.00 21.41 H new ATOM 0 HB2 LEU A 47 2.430 7.003 3.028 1.00 25.35 H new ATOM 0 HB3 LEU A 47 1.569 7.470 4.481 1.00 25.35 H new ATOM 0 HG LEU A 47 3.651 8.422 5.421 1.00 3.11 H new ATOM 0 HD11 LEU A 47 5.636 8.687 3.978 1.00 43.44 H new ATOM 0 HD12 LEU A 47 5.274 6.973 4.295 1.00 43.44 H new ATOM 0 HD13 LEU A 47 4.851 7.697 2.725 1.00 43.44 H new ATOM 0 HD21 LEU A 47 3.815 10.360 3.902 1.00 55.44 H new ATOM 0 HD22 LEU A 47 2.954 9.441 2.645 1.00 55.44 H new ATOM 0 HD23 LEU A 47 2.125 9.865 4.162 1.00 55.44 H new ATOM 764 N ASN A 48 1.756 6.120 6.886 1.00 72.03 N ATOM 765 CA ASN A 48 1.658 6.197 8.349 1.00 1.21 C ATOM 766 C ASN A 48 2.225 4.939 9.021 1.00 33.43 C ATOM 767 O ASN A 48 2.815 5.013 10.100 1.00 33.30 O ATOM 768 CB ASN A 48 0.205 6.423 8.785 1.00 53.54 C ATOM 769 CG ASN A 48 -0.260 7.851 8.557 1.00 74.23 C ATOM 770 OD1 ASN A 48 0.172 8.526 7.626 1.00 53.21 O ATOM 771 ND2 ASN A 48 -1.135 8.330 9.417 1.00 71.42 N ATOM 0 H ASN A 48 0.866 6.221 6.398 1.00 72.03 H new ATOM 0 HA ASN A 48 2.258 7.048 8.671 1.00 1.21 H new ATOM 0 HB2 ASN A 48 -0.445 5.742 8.236 1.00 53.54 H new ATOM 0 HB3 ASN A 48 0.105 6.177 9.842 1.00 53.54 H new ATOM 0 HD21 ASN A 48 -1.473 9.287 9.321 1.00 71.42 H new ATOM 0 HD22 ASN A 48 -1.474 7.744 10.179 1.00 71.42 H new ATOM 778 N HIS A 49 2.062 3.788 8.371 1.00 72.21 N ATOM 779 CA HIS A 49 2.605 2.530 8.888 1.00 44.02 C ATOM 780 C HIS A 49 4.124 2.433 8.634 1.00 13.23 C ATOM 781 O HIS A 49 4.841 1.741 9.356 1.00 50.12 O ATOM 782 CB HIS A 49 1.880 1.336 8.256 1.00 42.23 C ATOM 783 CG HIS A 49 2.203 0.025 8.907 1.00 74.25 C ATOM 784 ND1 HIS A 49 1.584 -0.415 10.057 1.00 73.20 N ATOM 785 CD2 HIS A 49 3.081 -0.948 8.566 1.00 70.33 C ATOM 786 CE1 HIS A 49 2.067 -1.591 10.396 1.00 34.33 C ATOM 787 NE2 HIS A 49 2.975 -1.939 9.508 1.00 44.20 N ATOM 0 H HIS A 49 1.560 3.699 7.488 1.00 72.21 H new ATOM 0 HA HIS A 49 2.442 2.510 9.966 1.00 44.02 H new ATOM 0 HB2 HIS A 49 0.804 1.504 8.311 1.00 42.23 H new ATOM 0 HB3 HIS A 49 2.141 1.281 7.199 1.00 42.23 H new ATOM 0 HD2 HIS A 49 3.742 -0.944 7.712 1.00 70.33 H new ATOM 0 HE1 HIS A 49 1.769 -2.172 11.256 1.00 34.33 H new ATOM 0 HE2 HIS A 49 3.513 -2.806 9.519 1.00 44.20 H new ATOM 796 N LEU A 50 4.604 3.123 7.594 1.00 34.00 N ATOM 797 CA LEU A 50 6.044 3.206 7.305 1.00 35.33 C ATOM 798 C LEU A 50 6.774 4.014 8.390 1.00 4.14 C ATOM 799 O LEU A 50 7.797 3.582 8.922 1.00 34.12 O ATOM 800 CB LEU A 50 6.285 3.841 5.917 1.00 11.12 C ATOM 801 CG LEU A 50 6.780 2.880 4.821 1.00 60.13 C ATOM 802 CD1 LEU A 50 8.155 2.321 5.179 1.00 4.31 C ATOM 803 CD2 LEU A 50 5.777 1.750 4.593 1.00 23.32 C ATOM 0 H LEU A 50 4.016 3.634 6.935 1.00 34.00 H new ATOM 0 HA LEU A 50 6.445 2.192 7.300 1.00 35.33 H new ATOM 0 HB2 LEU A 50 5.355 4.298 5.580 1.00 11.12 H new ATOM 0 HB3 LEU A 50 7.014 4.644 6.027 1.00 11.12 H new ATOM 0 HG LEU A 50 6.870 3.441 3.891 1.00 60.13 H new ATOM 0 HD11 LEU A 50 8.488 1.644 4.393 1.00 4.31 H new ATOM 0 HD12 LEU A 50 8.867 3.141 5.278 1.00 4.31 H new ATOM 0 HD13 LEU A 50 8.093 1.779 6.123 1.00 4.31 H new ATOM 0 HD21 LEU A 50 6.149 1.085 3.814 1.00 23.32 H new ATOM 0 HD22 LEU A 50 5.645 1.188 5.518 1.00 23.32 H new ATOM 0 HD23 LEU A 50 4.820 2.170 4.284 1.00 23.32 H new ATOM 815 N GLU A 51 6.240 5.192 8.710 1.00 62.31 N ATOM 816 CA GLU A 51 6.780 6.012 9.799 1.00 31.23 C ATOM 817 C GLU A 51 6.470 5.389 11.174 1.00 72.44 C ATOM 818 O GLU A 51 7.129 5.695 12.170 1.00 64.45 O ATOM 819 CB GLU A 51 6.248 7.453 9.705 1.00 73.14 C ATOM 820 CG GLU A 51 4.733 7.557 9.549 1.00 65.35 C ATOM 821 CD GLU A 51 4.244 8.990 9.397 1.00 2.25 C ATOM 822 OE1 GLU A 51 4.377 9.563 8.292 1.00 53.11 O ATOM 823 OE2 GLU A 51 3.735 9.555 10.388 1.00 4.33 O ATOM 0 H GLU A 51 5.436 5.601 8.234 1.00 62.31 H new ATOM 0 HA GLU A 51 7.864 6.044 9.694 1.00 31.23 H new ATOM 0 HB2 GLU A 51 6.547 7.997 10.601 1.00 73.14 H new ATOM 0 HB3 GLU A 51 6.723 7.948 8.858 1.00 73.14 H new ATOM 0 HG2 GLU A 51 4.423 6.980 8.678 1.00 65.35 H new ATOM 0 HG3 GLU A 51 4.253 7.106 10.417 1.00 65.35 H new ATOM 830 N ASP A 52 5.460 4.516 11.220 1.00 61.15 N ATOM 831 CA ASP A 52 5.203 3.685 12.402 1.00 41.04 C ATOM 832 C ASP A 52 6.387 2.731 12.647 1.00 62.24 C ATOM 833 O ASP A 52 7.111 2.862 13.637 1.00 21.22 O ATOM 834 CB ASP A 52 3.896 2.902 12.220 1.00 54.12 C ATOM 835 CG ASP A 52 3.628 1.935 13.358 1.00 41.43 C ATOM 836 OD1 ASP A 52 3.191 2.388 14.434 1.00 22.33 O ATOM 837 OD2 ASP A 52 3.852 0.722 13.178 1.00 11.13 O ATOM 0 H ASP A 52 4.806 4.365 10.452 1.00 61.15 H new ATOM 0 HA ASP A 52 5.098 4.328 13.276 1.00 41.04 H new ATOM 0 HB2 ASP A 52 3.065 3.603 12.142 1.00 54.12 H new ATOM 0 HB3 ASP A 52 3.936 2.349 11.281 1.00 54.12 H new ATOM 1022 N ASP B 212 -7.339 -14.775 -5.537 1.00 10.02 N ATOM 1023 CA ASP B 212 -8.044 -14.460 -4.289 1.00 35.42 C ATOM 1024 C ASP B 212 -8.088 -12.945 -4.031 1.00 50.13 C ATOM 1025 O ASP B 212 -9.007 -12.432 -3.398 1.00 64.41 O ATOM 1026 CB ASP B 212 -7.366 -15.177 -3.110 1.00 13.24 C ATOM 1027 CG ASP B 212 -5.912 -14.770 -2.889 1.00 63.20 C ATOM 1028 OD1 ASP B 212 -5.283 -14.205 -3.812 1.00 21.31 O ATOM 1029 OD2 ASP B 212 -5.390 -15.028 -1.785 1.00 51.35 O ATOM 0 HA ASP B 212 -9.072 -14.810 -4.386 1.00 35.42 H new ATOM 0 HB2 ASP B 212 -7.932 -14.974 -2.201 1.00 13.24 H new ATOM 0 HB3 ASP B 212 -7.410 -16.253 -3.279 1.00 13.24 H new ATOM 1034 N THR B 213 -7.088 -12.241 -4.545 1.00 71.24 N ATOM 1035 CA THR B 213 -6.919 -10.810 -4.285 1.00 63.41 C ATOM 1036 C THR B 213 -6.942 -9.975 -5.574 1.00 72.13 C ATOM 1037 O THR B 213 -6.480 -10.415 -6.626 1.00 2.42 O ATOM 1038 CB THR B 213 -5.590 -10.560 -3.538 1.00 52.41 C ATOM 1039 OG1 THR B 213 -4.527 -11.286 -4.173 1.00 54.34 O ATOM 1040 CG2 THR B 213 -5.684 -10.989 -2.080 1.00 21.44 C ATOM 0 H THR B 213 -6.372 -12.640 -5.152 1.00 71.24 H new ATOM 0 HA THR B 213 -7.762 -10.496 -3.669 1.00 63.41 H new ATOM 0 HB THR B 213 -5.386 -9.490 -3.574 1.00 52.41 H new ATOM 0 HG1 THR B 213 -4.647 -12.246 -4.015 1.00 54.34 H new ATOM 0 HG21 THR B 213 -4.733 -10.800 -1.583 1.00 21.44 H new ATOM 0 HG22 THR B 213 -6.472 -10.422 -1.584 1.00 21.44 H new ATOM 0 HG23 THR B 213 -5.915 -12.053 -2.028 1.00 21.44 H new ATOM 1048 N LYS B 214 -7.489 -8.761 -5.476 1.00 14.15 N ATOM 1049 CA LYS B 214 -7.600 -7.852 -6.624 1.00 31.33 C ATOM 1050 C LYS B 214 -6.362 -6.946 -6.743 1.00 4.14 C ATOM 1051 O LYS B 214 -5.844 -6.458 -5.735 1.00 0.32 O ATOM 1052 CB LYS B 214 -8.853 -6.976 -6.476 1.00 55.04 C ATOM 1053 CG LYS B 214 -10.135 -7.752 -6.179 1.00 73.23 C ATOM 1054 CD LYS B 214 -10.501 -8.718 -7.302 1.00 12.20 C ATOM 1055 CE LYS B 214 -10.777 -7.991 -8.615 1.00 24.14 C ATOM 1056 NZ LYS B 214 -11.191 -8.933 -9.685 1.00 53.13 N ATOM 0 H LYS B 214 -7.865 -8.381 -4.607 1.00 14.15 H new ATOM 0 HA LYS B 214 -7.673 -8.460 -7.526 1.00 31.33 H new ATOM 0 HB2 LYS B 214 -8.685 -6.256 -5.675 1.00 55.04 H new ATOM 0 HB3 LYS B 214 -8.993 -6.405 -7.394 1.00 55.04 H new ATOM 0 HG2 LYS B 214 -10.013 -8.308 -5.250 1.00 73.23 H new ATOM 0 HG3 LYS B 214 -10.955 -7.050 -6.025 1.00 73.23 H new ATOM 0 HD2 LYS B 214 -9.689 -9.431 -7.446 1.00 12.20 H new ATOM 0 HD3 LYS B 214 -11.381 -9.292 -7.014 1.00 12.20 H new ATOM 0 HE2 LYS B 214 -11.559 -7.247 -8.462 1.00 24.14 H new ATOM 0 HE3 LYS B 214 -9.882 -7.453 -8.929 1.00 24.14 H new ATOM 0 HZ1 LYS B 214 -11.370 -8.404 -10.563 1.00 53.13 H new ATOM 0 HZ2 LYS B 214 -10.434 -9.628 -9.848 1.00 53.13 H new ATOM 0 HZ3 LYS B 214 -12.059 -9.428 -9.395 1.00 53.13 H new ATOM 1070 N PRO B 215 -5.874 -6.699 -7.975 1.00 11.30 N ATOM 1071 CA PRO B 215 -4.712 -5.823 -8.203 1.00 10.25 C ATOM 1072 C PRO B 215 -5.052 -4.322 -8.093 1.00 31.13 C ATOM 1073 O PRO B 215 -5.797 -3.776 -8.912 1.00 45.22 O ATOM 1074 CB PRO B 215 -4.290 -6.183 -9.633 1.00 62.13 C ATOM 1075 CG PRO B 215 -5.558 -6.593 -10.303 1.00 54.32 C ATOM 1076 CD PRO B 215 -6.400 -7.259 -9.240 1.00 44.43 C ATOM 0 HA PRO B 215 -3.934 -5.975 -7.455 1.00 10.25 H new ATOM 0 HB2 PRO B 215 -3.831 -5.333 -10.138 1.00 62.13 H new ATOM 0 HB3 PRO B 215 -3.558 -6.991 -9.640 1.00 62.13 H new ATOM 0 HG2 PRO B 215 -6.073 -5.729 -10.723 1.00 54.32 H new ATOM 0 HG3 PRO B 215 -5.359 -7.278 -11.128 1.00 54.32 H new ATOM 0 HD2 PRO B 215 -7.459 -7.034 -9.368 1.00 44.43 H new ATOM 0 HD3 PRO B 215 -6.299 -8.344 -9.270 1.00 44.43 H new ATOM 1084 N VAL B 216 -4.515 -3.665 -7.067 1.00 2.22 N ATOM 1085 CA VAL B 216 -4.705 -2.221 -6.872 1.00 61.32 C ATOM 1086 C VAL B 216 -3.412 -1.444 -7.186 1.00 75.33 C ATOM 1087 O VAL B 216 -2.328 -1.828 -6.744 1.00 54.23 O ATOM 1088 CB VAL B 216 -5.140 -1.907 -5.416 1.00 22.23 C ATOM 1089 CG1 VAL B 216 -5.388 -0.408 -5.226 1.00 35.02 C ATOM 1090 CG2 VAL B 216 -6.381 -2.718 -5.038 1.00 2.01 C ATOM 0 H VAL B 216 -3.940 -4.109 -6.351 1.00 2.22 H new ATOM 0 HA VAL B 216 -5.490 -1.906 -7.559 1.00 61.32 H new ATOM 0 HB VAL B 216 -4.327 -2.196 -4.750 1.00 22.23 H new ATOM 0 HG11 VAL B 216 -5.691 -0.217 -4.197 1.00 35.02 H new ATOM 0 HG12 VAL B 216 -4.473 0.143 -5.443 1.00 35.02 H new ATOM 0 HG13 VAL B 216 -6.177 -0.081 -5.903 1.00 35.02 H new ATOM 0 HG21 VAL B 216 -6.670 -2.484 -4.014 1.00 2.01 H new ATOM 0 HG22 VAL B 216 -7.199 -2.467 -5.713 1.00 2.01 H new ATOM 0 HG23 VAL B 216 -6.159 -3.782 -5.118 1.00 2.01 H new ATOM 1100 N VAL B 217 -3.526 -0.358 -7.948 1.00 15.32 N ATOM 1101 CA VAL B 217 -2.361 0.472 -8.276 1.00 21.33 C ATOM 1102 C VAL B 217 -2.030 1.454 -7.131 1.00 42.13 C ATOM 1103 O VAL B 217 -2.628 2.526 -7.004 1.00 43.51 O ATOM 1104 CB VAL B 217 -2.557 1.239 -9.615 1.00 32.32 C ATOM 1105 CG1 VAL B 217 -3.831 2.086 -9.605 1.00 71.52 C ATOM 1106 CG2 VAL B 217 -1.329 2.094 -9.939 1.00 4.52 C ATOM 0 H VAL B 217 -4.405 -0.031 -8.349 1.00 15.32 H new ATOM 0 HA VAL B 217 -1.515 -0.204 -8.401 1.00 21.33 H new ATOM 0 HB VAL B 217 -2.672 0.495 -10.403 1.00 32.32 H new ATOM 0 HG11 VAL B 217 -3.930 2.605 -10.558 1.00 71.52 H new ATOM 0 HG12 VAL B 217 -4.696 1.441 -9.452 1.00 71.52 H new ATOM 0 HG13 VAL B 217 -3.776 2.817 -8.798 1.00 71.52 H new ATOM 0 HG21 VAL B 217 -1.490 2.621 -10.880 1.00 4.52 H new ATOM 0 HG22 VAL B 217 -1.169 2.818 -9.140 1.00 4.52 H new ATOM 0 HG23 VAL B 217 -0.452 1.453 -10.028 1.00 4.52 H new ATOM 1116 N VAL B 218 -1.087 1.061 -6.283 1.00 24.24 N ATOM 1117 CA VAL B 218 -0.668 1.882 -5.144 1.00 54.25 C ATOM 1118 C VAL B 218 0.516 2.789 -5.524 1.00 15.42 C ATOM 1119 O VAL B 218 1.231 2.521 -6.486 1.00 52.11 O ATOM 1120 CB VAL B 218 -0.274 0.982 -3.940 1.00 72.24 C ATOM 1121 CG1 VAL B 218 0.060 1.815 -2.703 1.00 15.03 C ATOM 1122 CG2 VAL B 218 -1.389 -0.018 -3.633 1.00 2.55 C ATOM 0 H VAL B 218 -0.592 0.172 -6.361 1.00 24.24 H new ATOM 0 HA VAL B 218 -1.511 2.511 -4.859 1.00 54.25 H new ATOM 0 HB VAL B 218 0.624 0.430 -4.217 1.00 72.24 H new ATOM 0 HG11 VAL B 218 0.331 1.153 -1.881 1.00 15.03 H new ATOM 0 HG12 VAL B 218 0.896 2.478 -2.926 1.00 15.03 H new ATOM 0 HG13 VAL B 218 -0.809 2.409 -2.419 1.00 15.03 H new ATOM 0 HG21 VAL B 218 -1.097 -0.640 -2.787 1.00 2.55 H new ATOM 0 HG22 VAL B 218 -2.304 0.521 -3.388 1.00 2.55 H new ATOM 0 HG23 VAL B 218 -1.562 -0.649 -4.505 1.00 2.55 H new ATOM 1132 N ARG B 219 0.705 3.874 -4.777 1.00 5.14 N ATOM 1133 CA ARG B 219 1.820 4.801 -5.009 1.00 52.05 C ATOM 1134 C ARG B 219 2.514 5.174 -3.691 1.00 4.22 C ATOM 1135 O ARG B 219 1.857 5.556 -2.727 1.00 55.10 O ATOM 1136 CB ARG B 219 1.322 6.071 -5.713 1.00 23.52 C ATOM 1137 CG ARG B 219 0.887 5.852 -7.161 1.00 60.45 C ATOM 1138 CD ARG B 219 0.359 7.135 -7.797 1.00 44.15 C ATOM 1139 NE ARG B 219 1.301 8.246 -7.664 1.00 12.01 N ATOM 1140 CZ ARG B 219 1.687 9.015 -8.646 1.00 22.00 C ATOM 1141 NH1 ARG B 219 1.226 8.840 -9.842 1.00 41.44 N ATOM 1142 NH2 ARG B 219 2.515 9.980 -8.423 1.00 73.25 N ATOM 0 H ARG B 219 0.099 4.138 -4.000 1.00 5.14 H new ATOM 0 HA ARG B 219 2.545 4.297 -5.649 1.00 52.05 H new ATOM 0 HB2 ARG B 219 0.482 6.480 -5.151 1.00 23.52 H new ATOM 0 HB3 ARG B 219 2.114 6.819 -5.692 1.00 23.52 H new ATOM 0 HG2 ARG B 219 1.731 5.480 -7.741 1.00 60.45 H new ATOM 0 HG3 ARG B 219 0.114 5.085 -7.196 1.00 60.45 H new ATOM 0 HD2 ARG B 219 0.156 6.958 -8.853 1.00 44.15 H new ATOM 0 HD3 ARG B 219 -0.588 7.406 -7.331 1.00 44.15 H new ATOM 0 HE ARG B 219 1.684 8.433 -6.737 1.00 12.01 H new ATOM 0 HH11 ARG B 219 0.554 8.095 -10.026 1.00 41.44 H new ATOM 0 HH12 ARG B 219 1.535 9.447 -10.601 1.00 41.44 H new ATOM 0 HH21 ARG B 219 2.868 10.142 -7.480 1.00 73.25 H new ATOM 0 HH22 ARG B 219 2.817 10.581 -9.190 1.00 73.25 H new ATOM 1156 N LEU B 220 3.841 5.060 -3.653 1.00 24.45 N ATOM 1157 CA LEU B 220 4.613 5.424 -2.454 1.00 33.15 C ATOM 1158 C LEU B 220 5.967 6.056 -2.829 1.00 70.33 C ATOM 1159 O LEU B 220 6.472 5.858 -3.937 1.00 31.03 O ATOM 1160 CB LEU B 220 4.825 4.189 -1.558 1.00 53.33 C ATOM 1161 CG LEU B 220 5.441 4.468 -0.172 1.00 54.10 C ATOM 1162 CD1 LEU B 220 4.558 5.417 0.639 1.00 73.21 C ATOM 1163 CD2 LEU B 220 5.671 3.162 0.594 1.00 2.15 C ATOM 0 H LEU B 220 4.406 4.721 -4.431 1.00 24.45 H new ATOM 0 HA LEU B 220 4.040 6.167 -1.899 1.00 33.15 H new ATOM 0 HB2 LEU B 220 3.863 3.697 -1.416 1.00 53.33 H new ATOM 0 HB3 LEU B 220 5.468 3.485 -2.086 1.00 53.33 H new ATOM 0 HG LEU B 220 6.406 4.950 -0.326 1.00 54.10 H new ATOM 0 HD11 LEU B 220 5.015 5.597 1.612 1.00 73.21 H new ATOM 0 HD12 LEU B 220 4.454 6.362 0.106 1.00 73.21 H new ATOM 0 HD13 LEU B 220 3.574 4.969 0.778 1.00 73.21 H new ATOM 0 HD21 LEU B 220 6.106 3.384 1.569 1.00 2.15 H new ATOM 0 HD22 LEU B 220 4.720 2.647 0.730 1.00 2.15 H new ATOM 0 HD23 LEU B 220 6.351 2.524 0.030 1.00 2.15 H new ATOM 1175 N TYR B 221 6.540 6.825 -1.901 1.00 41.14 N ATOM 1176 CA TYR B 221 7.803 7.539 -2.131 1.00 63.23 C ATOM 1177 C TYR B 221 8.987 6.560 -2.241 1.00 1.52 C ATOM 1178 O TYR B 221 9.236 5.779 -1.324 1.00 12.14 O ATOM 1179 CB TYR B 221 8.033 8.544 -0.993 1.00 31.43 C ATOM 1180 CG TYR B 221 6.857 9.490 -0.785 1.00 62.24 C ATOM 1181 CD1 TYR B 221 5.796 9.142 0.051 1.00 2.55 C ATOM 1182 CD2 TYR B 221 6.800 10.722 -1.430 1.00 42.33 C ATOM 1183 CE1 TYR B 221 4.720 9.990 0.233 1.00 34.35 C ATOM 1184 CE2 TYR B 221 5.728 11.577 -1.249 1.00 73.13 C ATOM 1185 CZ TYR B 221 4.691 11.206 -0.417 1.00 72.11 C ATOM 1186 OH TYR B 221 3.617 12.051 -0.241 1.00 12.14 O ATOM 0 H TYR B 221 6.146 6.972 -0.972 1.00 41.14 H new ATOM 0 HA TYR B 221 7.736 8.074 -3.078 1.00 63.23 H new ATOM 0 HB2 TYR B 221 8.222 7.999 -0.068 1.00 31.43 H new ATOM 0 HB3 TYR B 221 8.928 9.128 -1.207 1.00 31.43 H new ATOM 0 HD1 TYR B 221 5.816 8.193 0.565 1.00 2.55 H new ATOM 0 HD2 TYR B 221 7.608 11.016 -2.084 1.00 42.33 H new ATOM 0 HE1 TYR B 221 3.906 9.702 0.881 1.00 34.35 H new ATOM 0 HE2 TYR B 221 5.702 12.530 -1.756 1.00 73.13 H new ATOM 0 HH TYR B 221 3.752 12.866 -0.768 1.00 12.14 H new ATOM 1196 N PRO B 222 9.743 6.597 -3.363 1.00 22.33 N ATOM 1197 CA PRO B 222 10.815 5.614 -3.655 1.00 61.25 C ATOM 1198 C PRO B 222 11.865 5.488 -2.533 1.00 52.32 C ATOM 1199 O PRO B 222 12.274 4.383 -2.170 1.00 32.04 O ATOM 1200 CB PRO B 222 11.460 6.152 -4.949 1.00 22.23 C ATOM 1201 CG PRO B 222 10.999 7.571 -5.055 1.00 50.30 C ATOM 1202 CD PRO B 222 9.633 7.604 -4.431 1.00 64.22 C ATOM 0 HA PRO B 222 10.407 4.607 -3.748 1.00 61.25 H new ATOM 0 HB2 PRO B 222 12.547 6.094 -4.901 1.00 22.23 H new ATOM 0 HB3 PRO B 222 11.148 5.570 -5.816 1.00 22.23 H new ATOM 0 HG2 PRO B 222 11.682 8.244 -4.537 1.00 50.30 H new ATOM 0 HG3 PRO B 222 10.962 7.894 -6.096 1.00 50.30 H new ATOM 0 HD2 PRO B 222 9.392 8.590 -4.035 1.00 64.22 H new ATOM 0 HD3 PRO B 222 8.853 7.350 -5.149 1.00 64.22 H new ATOM 1210 N ASP B 223 12.290 6.622 -1.995 1.00 41.55 N ATOM 1211 CA ASP B 223 13.276 6.654 -0.907 1.00 73.54 C ATOM 1212 C ASP B 223 12.726 6.011 0.380 1.00 33.04 C ATOM 1213 O ASP B 223 13.407 5.212 1.026 1.00 50.04 O ATOM 1214 CB ASP B 223 13.721 8.101 -0.649 1.00 44.15 C ATOM 1215 CG ASP B 223 12.637 9.106 -0.999 1.00 44.22 C ATOM 1216 OD1 ASP B 223 11.499 8.947 -0.518 1.00 34.34 O ATOM 1217 OD2 ASP B 223 12.916 10.030 -1.788 1.00 72.32 O ATOM 0 H ASP B 223 11.968 7.543 -2.292 1.00 41.55 H new ATOM 0 HA ASP B 223 14.140 6.065 -1.214 1.00 73.54 H new ATOM 0 HB2 ASP B 223 13.994 8.214 0.400 1.00 44.15 H new ATOM 0 HB3 ASP B 223 14.615 8.314 -1.235 1.00 44.15 H new ATOM 1222 N GLU B 224 11.497 6.356 0.754 1.00 34.43 N ATOM 1223 CA GLU B 224 10.856 5.735 1.917 1.00 51.14 C ATOM 1224 C GLU B 224 10.552 4.246 1.653 1.00 63.12 C ATOM 1225 O GLU B 224 10.513 3.437 2.585 1.00 74.24 O ATOM 1226 CB GLU B 224 9.589 6.507 2.319 1.00 3.14 C ATOM 1227 CG GLU B 224 9.873 7.963 2.692 1.00 0.34 C ATOM 1228 CD GLU B 224 8.704 8.657 3.380 1.00 43.32 C ATOM 1229 OE1 GLU B 224 7.711 8.980 2.699 1.00 41.13 O ATOM 1230 OE2 GLU B 224 8.786 8.898 4.610 1.00 71.34 O ATOM 0 H GLU B 224 10.927 7.054 0.277 1.00 34.43 H new ATOM 0 HA GLU B 224 11.552 5.782 2.755 1.00 51.14 H new ATOM 0 HB2 GLU B 224 8.877 6.481 1.494 1.00 3.14 H new ATOM 0 HB3 GLU B 224 9.117 6.006 3.164 1.00 3.14 H new ATOM 0 HG2 GLU B 224 10.742 7.998 3.348 1.00 0.34 H new ATOM 0 HG3 GLU B 224 10.133 8.516 1.789 1.00 0.34 H new ATOM 1237 N ILE B 225 10.356 3.882 0.381 1.00 41.11 N ATOM 1238 CA ILE B 225 10.273 2.466 -0.013 1.00 11.23 C ATOM 1239 C ILE B 225 11.623 1.770 0.221 1.00 54.32 C ATOM 1240 O ILE B 225 11.678 0.615 0.648 1.00 54.15 O ATOM 1241 CB ILE B 225 9.866 2.295 -1.505 1.00 41.51 C ATOM 1242 CG1 ILE B 225 8.450 2.842 -1.750 1.00 11.22 C ATOM 1243 CG2 ILE B 225 9.957 0.827 -1.934 1.00 3.35 C ATOM 1244 CD1 ILE B 225 8.007 2.777 -3.197 1.00 72.13 C ATOM 0 H ILE B 225 10.252 4.541 -0.391 1.00 41.11 H new ATOM 0 HA ILE B 225 9.501 2.008 0.605 1.00 11.23 H new ATOM 0 HB ILE B 225 10.566 2.870 -2.111 1.00 41.51 H new ATOM 0 HG12 ILE B 225 7.744 2.280 -1.139 1.00 11.22 H new ATOM 0 HG13 ILE B 225 8.409 3.878 -1.414 1.00 11.22 H new ATOM 0 HG21 ILE B 225 9.667 0.735 -2.981 1.00 3.35 H new ATOM 0 HG22 ILE B 225 10.981 0.474 -1.808 1.00 3.35 H new ATOM 0 HG23 ILE B 225 9.288 0.226 -1.318 1.00 3.35 H new ATOM 0 HD11 ILE B 225 6.999 3.181 -3.287 1.00 72.13 H new ATOM 0 HD12 ILE B 225 8.689 3.363 -3.813 1.00 72.13 H new ATOM 0 HD13 ILE B 225 8.014 1.740 -3.533 1.00 72.13 H new ATOM 1256 N GLU B 226 12.714 2.487 -0.059 1.00 72.13 N ATOM 1257 CA GLU B 226 14.062 1.985 0.215 1.00 64.05 C ATOM 1258 C GLU B 226 14.255 1.729 1.717 1.00 15.23 C ATOM 1259 O GLU B 226 14.873 0.739 2.120 1.00 1.24 O ATOM 1260 CB GLU B 226 15.118 2.971 -0.298 1.00 22.23 C ATOM 1261 CG GLU B 226 16.551 2.525 -0.035 1.00 33.24 C ATOM 1262 CD GLU B 226 17.580 3.468 -0.634 1.00 10.41 C ATOM 1263 OE1 GLU B 226 17.901 4.489 0.001 1.00 50.51 O ATOM 1264 OE2 GLU B 226 18.084 3.180 -1.744 1.00 41.33 O ATOM 0 H GLU B 226 12.690 3.418 -0.476 1.00 72.13 H new ATOM 0 HA GLU B 226 14.185 1.039 -0.312 1.00 64.05 H new ATOM 0 HB2 GLU B 226 14.981 3.111 -1.370 1.00 22.23 H new ATOM 0 HB3 GLU B 226 14.956 3.941 0.173 1.00 22.23 H new ATOM 0 HG2 GLU B 226 16.713 2.454 1.041 1.00 33.24 H new ATOM 0 HG3 GLU B 226 16.697 1.526 -0.446 1.00 33.24 H new ATOM 1271 N ALA B 227 13.718 2.622 2.543 1.00 21.41 N ATOM 1272 CA ALA B 227 13.718 2.427 3.996 1.00 2.54 C ATOM 1273 C ALA B 227 12.944 1.155 4.384 1.00 75.35 C ATOM 1274 O ALA B 227 13.317 0.443 5.318 1.00 63.52 O ATOM 1275 CB ALA B 227 13.126 3.650 4.691 1.00 74.33 C ATOM 0 H ALA B 227 13.277 3.488 2.235 1.00 21.41 H new ATOM 0 HA ALA B 227 14.750 2.302 4.324 1.00 2.54 H new ATOM 0 HB1 ALA B 227 13.131 3.494 5.770 1.00 74.33 H new ATOM 0 HB2 ALA B 227 13.722 4.530 4.449 1.00 74.33 H new ATOM 0 HB3 ALA B 227 12.101 3.801 4.351 1.00 74.33 H new ATOM 1281 N LEU B 228 11.874 0.868 3.642 1.00 35.53 N ATOM 1282 CA LEU B 228 11.058 -0.329 3.877 1.00 20.31 C ATOM 1283 C LEU B 228 11.801 -1.613 3.464 1.00 71.24 C ATOM 1284 O LEU B 228 11.878 -2.572 4.233 1.00 14.04 O ATOM 1285 CB LEU B 228 9.731 -0.220 3.111 1.00 1.02 C ATOM 1286 CG LEU B 228 8.746 -1.385 3.325 1.00 72.22 C ATOM 1287 CD1 LEU B 228 8.364 -1.512 4.800 1.00 72.45 C ATOM 1288 CD2 LEU B 228 7.502 -1.203 2.455 1.00 31.41 C ATOM 0 H LEU B 228 11.549 1.449 2.869 1.00 35.53 H new ATOM 0 HA LEU B 228 10.857 -0.390 4.946 1.00 20.31 H new ATOM 0 HB2 LEU B 228 9.238 0.708 3.402 1.00 1.02 H new ATOM 0 HB3 LEU B 228 9.951 -0.144 2.046 1.00 1.02 H new ATOM 0 HG LEU B 228 9.241 -2.309 3.026 1.00 72.22 H new ATOM 0 HD11 LEU B 228 7.668 -2.341 4.925 1.00 72.45 H new ATOM 0 HD12 LEU B 228 9.260 -1.697 5.393 1.00 72.45 H new ATOM 0 HD13 LEU B 228 7.892 -0.588 5.134 1.00 72.45 H new ATOM 0 HD21 LEU B 228 6.818 -2.035 2.620 1.00 31.41 H new ATOM 0 HD22 LEU B 228 7.007 -0.269 2.719 1.00 31.41 H new ATOM 0 HD23 LEU B 228 7.793 -1.175 1.405 1.00 31.41 H new ATOM 1300 N LYS B 229 12.366 -1.620 2.254 1.00 71.42 N ATOM 1301 CA LYS B 229 13.078 -2.802 1.743 1.00 61.24 C ATOM 1302 C LYS B 229 14.444 -2.989 2.428 1.00 72.34 C ATOM 1303 O LYS B 229 15.229 -3.861 2.053 1.00 35.15 O ATOM 1304 CB LYS B 229 13.241 -2.729 0.215 1.00 40.11 C ATOM 1305 CG LYS B 229 14.162 -1.616 -0.274 1.00 20.22 C ATOM 1306 CD LYS B 229 14.213 -1.561 -1.802 1.00 1.11 C ATOM 1307 CE LYS B 229 15.164 -0.481 -2.308 1.00 25.04 C ATOM 1308 NZ LYS B 229 15.149 -0.377 -3.791 1.00 3.21 N ATOM 0 H LYS B 229 12.347 -0.828 1.611 1.00 71.42 H new ATOM 0 HA LYS B 229 12.469 -3.674 1.983 1.00 61.24 H new ATOM 0 HB2 LYS B 229 13.626 -3.684 -0.142 1.00 40.11 H new ATOM 0 HB3 LYS B 229 12.258 -2.593 -0.236 1.00 40.11 H new ATOM 0 HG2 LYS B 229 13.815 -0.658 0.114 1.00 20.22 H new ATOM 0 HG3 LYS B 229 15.166 -1.774 0.119 1.00 20.22 H new ATOM 0 HD2 LYS B 229 14.528 -2.530 -2.188 1.00 1.11 H new ATOM 0 HD3 LYS B 229 13.212 -1.373 -2.191 1.00 1.11 H new ATOM 0 HE2 LYS B 229 14.886 0.479 -1.874 1.00 25.04 H new ATOM 0 HE3 LYS B 229 16.176 -0.702 -1.970 1.00 25.04 H new ATOM 0 HZ1 LYS B 229 15.809 0.368 -4.093 1.00 3.21 H new ATOM 0 HZ2 LYS B 229 15.439 -1.286 -4.206 1.00 3.21 H new ATOM 0 HZ3 LYS B 229 14.189 -0.141 -4.113 1.00 3.21 H new ATOM 1322 N SER B 230 14.725 -2.165 3.434 1.00 22.24 N ATOM 1323 CA SER B 230 15.918 -2.342 4.273 1.00 14.23 C ATOM 1324 C SER B 230 15.781 -3.568 5.188 1.00 63.21 C ATOM 1325 O SER B 230 16.773 -4.093 5.697 1.00 13.12 O ATOM 1326 CB SER B 230 16.159 -1.090 5.131 1.00 43.22 C ATOM 1327 OG SER B 230 17.272 -1.261 5.998 1.00 31.32 O ATOM 0 H SER B 230 14.146 -1.366 3.692 1.00 22.24 H new ATOM 0 HA SER B 230 16.767 -2.498 3.608 1.00 14.23 H new ATOM 0 HB2 SER B 230 16.330 -0.230 4.483 1.00 43.22 H new ATOM 0 HB3 SER B 230 15.267 -0.873 5.720 1.00 43.22 H new ATOM 0 HG SER B 230 17.401 -0.448 6.529 1.00 31.32 H new ATOM 1333 N ARG B 231 14.541 -4.027 5.392 1.00 31.33 N ATOM 1334 CA ARG B 231 14.270 -5.154 6.296 1.00 71.32 C ATOM 1335 C ARG B 231 13.611 -6.346 5.571 1.00 21.25 C ATOM 1336 O ARG B 231 12.976 -7.190 6.208 1.00 21.13 O ATOM 1337 CB ARG B 231 13.371 -4.689 7.453 1.00 52.20 C ATOM 1338 CG ARG B 231 11.968 -4.266 7.019 1.00 52.31 C ATOM 1339 CD ARG B 231 11.086 -3.908 8.210 1.00 53.32 C ATOM 1340 NE ARG B 231 9.700 -3.686 7.806 1.00 12.34 N ATOM 1341 CZ ARG B 231 8.702 -3.559 8.638 1.00 3.24 C ATOM 1342 NH1 ARG B 231 8.891 -3.615 9.915 1.00 50.11 N ATOM 1343 NH2 ARG B 231 7.505 -3.405 8.180 1.00 25.51 N ATOM 0 H ARG B 231 13.711 -3.638 4.946 1.00 31.33 H new ATOM 0 HA ARG B 231 15.230 -5.498 6.681 1.00 71.32 H new ATOM 0 HB2 ARG B 231 13.287 -5.496 8.181 1.00 52.20 H new ATOM 0 HB3 ARG B 231 13.852 -3.852 7.959 1.00 52.20 H new ATOM 0 HG2 ARG B 231 12.039 -3.409 6.349 1.00 52.31 H new ATOM 0 HG3 ARG B 231 11.504 -5.074 6.454 1.00 52.31 H new ATOM 0 HD2 ARG B 231 11.127 -4.710 8.947 1.00 53.32 H new ATOM 0 HD3 ARG B 231 11.473 -3.011 8.693 1.00 53.32 H new ATOM 0 HE ARG B 231 9.499 -3.626 6.808 1.00 12.34 H new ATOM 0 HH11 ARG B 231 9.830 -3.760 10.286 1.00 50.11 H new ATOM 0 HH12 ARG B 231 8.101 -3.514 10.552 1.00 50.11 H new ATOM 0 HH21 ARG B 231 7.343 -3.383 7.173 1.00 25.51 H new ATOM 0 HH22 ARG B 231 6.721 -3.305 8.825 1.00 25.51 H new ATOM 1357 N VAL B 232 13.770 -6.431 4.249 1.00 23.35 N ATOM 1358 CA VAL B 232 13.178 -7.539 3.482 1.00 24.34 C ATOM 1359 C VAL B 232 14.221 -8.615 3.114 1.00 34.41 C ATOM 1360 O VAL B 232 15.199 -8.344 2.412 1.00 51.15 O ATOM 1361 CB VAL B 232 12.461 -7.042 2.191 1.00 24.32 C ATOM 1362 CG1 VAL B 232 11.323 -6.085 2.541 1.00 41.11 C ATOM 1363 CG2 VAL B 232 13.442 -6.385 1.217 1.00 21.55 C ATOM 0 H VAL B 232 14.295 -5.759 3.690 1.00 23.35 H new ATOM 0 HA VAL B 232 12.434 -7.990 4.139 1.00 24.34 H new ATOM 0 HB VAL B 232 12.039 -7.915 1.692 1.00 24.32 H new ATOM 0 HG11 VAL B 232 10.835 -5.749 1.626 1.00 41.11 H new ATOM 0 HG12 VAL B 232 10.597 -6.598 3.172 1.00 41.11 H new ATOM 0 HG13 VAL B 232 11.723 -5.224 3.075 1.00 41.11 H new ATOM 0 HG21 VAL B 232 12.905 -6.051 0.329 1.00 21.55 H new ATOM 0 HG22 VAL B 232 13.914 -5.529 1.698 1.00 21.55 H new ATOM 0 HG23 VAL B 232 14.207 -7.106 0.929 1.00 21.55 H new ATOM 1373 N PRO B 233 14.039 -9.857 3.607 1.00 23.43 N ATOM 1374 CA PRO B 233 14.913 -10.985 3.252 1.00 52.13 C ATOM 1375 C PRO B 233 14.565 -11.588 1.877 1.00 23.50 C ATOM 1376 O PRO B 233 13.544 -11.248 1.277 1.00 30.43 O ATOM 1377 CB PRO B 233 14.637 -11.991 4.377 1.00 1.42 C ATOM 1378 CG PRO B 233 13.219 -11.733 4.769 1.00 55.24 C ATOM 1379 CD PRO B 233 12.982 -10.255 4.561 1.00 42.44 C ATOM 0 HA PRO B 233 15.959 -10.692 3.166 1.00 52.13 H new ATOM 0 HB2 PRO B 233 14.774 -13.017 4.035 1.00 1.42 H new ATOM 0 HB3 PRO B 233 15.315 -11.842 5.218 1.00 1.42 H new ATOM 0 HG2 PRO B 233 12.534 -12.325 4.162 1.00 55.24 H new ATOM 0 HG3 PRO B 233 13.046 -12.012 5.809 1.00 55.24 H new ATOM 0 HD2 PRO B 233 11.987 -10.062 4.159 1.00 42.44 H new ATOM 0 HD3 PRO B 233 13.060 -9.702 5.497 1.00 42.44 H new ATOM 1387 N ALA B 234 15.407 -12.503 1.392 1.00 75.23 N ATOM 1388 CA ALA B 234 15.214 -13.121 0.069 1.00 52.20 C ATOM 1389 C ALA B 234 13.958 -14.015 -0.003 1.00 43.31 C ATOM 1390 O ALA B 234 13.638 -14.563 -1.060 1.00 72.12 O ATOM 1391 CB ALA B 234 16.451 -13.924 -0.316 1.00 71.25 C ATOM 0 H ALA B 234 16.231 -12.836 1.893 1.00 75.23 H new ATOM 0 HA ALA B 234 15.061 -12.308 -0.641 1.00 52.20 H new ATOM 0 HB1 ALA B 234 16.300 -14.378 -1.296 1.00 71.25 H new ATOM 0 HB2 ALA B 234 17.317 -13.263 -0.352 1.00 71.25 H new ATOM 0 HB3 ALA B 234 16.622 -14.706 0.424 1.00 71.25 H new ATOM 1397 N ASN B 235 13.258 -14.170 1.119 1.00 54.11 N ATOM 1398 CA ASN B 235 12.005 -14.944 1.156 1.00 50.53 C ATOM 1399 C ASN B 235 10.770 -14.029 1.077 1.00 34.22 C ATOM 1400 O ASN B 235 9.634 -14.502 1.106 1.00 14.32 O ATOM 1401 CB ASN B 235 11.945 -15.787 2.438 1.00 34.05 C ATOM 1402 CG ASN B 235 13.043 -16.832 2.497 1.00 55.34 C ATOM 1403 OD1 ASN B 235 13.456 -17.372 1.477 1.00 5.20 O ATOM 1404 ND2 ASN B 235 13.533 -17.120 3.686 1.00 44.31 N ATOM 0 H ASN B 235 13.532 -13.773 2.018 1.00 54.11 H new ATOM 0 HA ASN B 235 11.995 -15.599 0.285 1.00 50.53 H new ATOM 0 HB2 ASN B 235 12.025 -15.131 3.305 1.00 34.05 H new ATOM 0 HB3 ASN B 235 10.975 -16.280 2.500 1.00 34.05 H new ATOM 0 HD21 ASN B 235 14.278 -17.810 3.777 1.00 44.31 H new ATOM 0 HD22 ASN B 235 13.167 -16.652 4.515 1.00 44.31 H new ATOM 1411 N THR B 236 10.997 -12.720 0.966 1.00 23.20 N ATOM 1412 CA THR B 236 9.902 -11.737 0.968 1.00 72.14 C ATOM 1413 C THR B 236 9.789 -10.991 -0.372 1.00 51.42 C ATOM 1414 O THR B 236 10.667 -10.209 -0.733 1.00 2.34 O ATOM 1415 CB THR B 236 10.078 -10.702 2.109 1.00 31.52 C ATOM 1416 OG1 THR B 236 10.041 -11.358 3.389 1.00 30.03 O ATOM 1417 CG2 THR B 236 8.997 -9.626 2.060 1.00 1.11 C ATOM 0 H THR B 236 11.927 -12.311 0.873 1.00 23.20 H new ATOM 0 HA THR B 236 8.985 -12.304 1.128 1.00 72.14 H new ATOM 0 HB THR B 236 11.047 -10.224 1.970 1.00 31.52 H new ATOM 0 HG1 THR B 236 9.835 -10.702 4.087 1.00 30.03 H new ATOM 0 HG21 THR B 236 9.151 -8.918 2.874 1.00 1.11 H new ATOM 0 HG22 THR B 236 9.050 -9.100 1.107 1.00 1.11 H new ATOM 0 HG23 THR B 236 8.016 -10.090 2.164 1.00 1.11 H new ATOM 1425 N SER B 237 8.701 -11.238 -1.104 1.00 62.04 N ATOM 1426 CA SER B 237 8.420 -10.513 -2.358 1.00 65.24 C ATOM 1427 C SER B 237 7.663 -9.205 -2.075 1.00 52.32 C ATOM 1428 O SER B 237 6.808 -9.157 -1.195 1.00 33.33 O ATOM 1429 CB SER B 237 7.603 -11.390 -3.324 1.00 61.43 C ATOM 1430 OG SER B 237 8.329 -12.550 -3.709 1.00 42.03 O ATOM 0 H SER B 237 7.997 -11.933 -0.856 1.00 62.04 H new ATOM 0 HA SER B 237 9.375 -10.272 -2.824 1.00 65.24 H new ATOM 0 HB2 SER B 237 6.668 -11.685 -2.848 1.00 61.43 H new ATOM 0 HB3 SER B 237 7.341 -10.812 -4.210 1.00 61.43 H new ATOM 0 HG SER B 237 7.785 -13.088 -4.321 1.00 42.03 H new ATOM 1436 N MET B 238 7.958 -8.158 -2.850 1.00 24.02 N ATOM 1437 CA MET B 238 7.439 -6.803 -2.577 1.00 42.44 C ATOM 1438 C MET B 238 5.899 -6.733 -2.563 1.00 43.24 C ATOM 1439 O MET B 238 5.299 -6.398 -1.540 1.00 21.12 O ATOM 1440 CB MET B 238 7.996 -5.799 -3.598 1.00 43.14 C ATOM 1441 CG MET B 238 9.505 -5.593 -3.498 1.00 55.33 C ATOM 1442 SD MET B 238 10.122 -4.378 -4.682 1.00 2.23 S ATOM 1443 CE MET B 238 11.862 -4.319 -4.243 1.00 51.00 C ATOM 0 H MET B 238 8.555 -8.217 -3.675 1.00 24.02 H new ATOM 0 HA MET B 238 7.779 -6.542 -1.575 1.00 42.44 H new ATOM 0 HB2 MET B 238 7.751 -6.143 -4.603 1.00 43.14 H new ATOM 0 HB3 MET B 238 7.498 -4.840 -3.459 1.00 43.14 H new ATOM 0 HG2 MET B 238 9.757 -5.271 -2.488 1.00 55.33 H new ATOM 0 HG3 MET B 238 10.009 -6.545 -3.664 1.00 55.33 H new ATOM 0 HE1 MET B 238 12.377 -3.609 -4.890 1.00 51.00 H new ATOM 0 HE2 MET B 238 11.965 -4.004 -3.205 1.00 51.00 H new ATOM 0 HE3 MET B 238 12.302 -5.308 -4.367 1.00 51.00 H new ATOM 1453 N SER B 239 5.263 -7.041 -3.695 1.00 14.12 N ATOM 1454 CA SER B 239 3.792 -6.961 -3.812 1.00 12.43 C ATOM 1455 C SER B 239 3.087 -7.791 -2.724 1.00 72.44 C ATOM 1456 O SER B 239 2.114 -7.343 -2.116 1.00 0.42 O ATOM 1457 CB SER B 239 3.335 -7.425 -5.205 1.00 23.25 C ATOM 1458 OG SER B 239 3.887 -6.606 -6.232 1.00 11.13 O ATOM 0 H SER B 239 5.735 -7.348 -4.545 1.00 14.12 H new ATOM 0 HA SER B 239 3.512 -5.917 -3.672 1.00 12.43 H new ATOM 0 HB2 SER B 239 3.636 -8.461 -5.362 1.00 23.25 H new ATOM 0 HB3 SER B 239 2.247 -7.397 -5.261 1.00 23.25 H new ATOM 0 HG SER B 239 3.239 -5.916 -6.484 1.00 11.13 H new ATOM 1464 N ALA B 240 3.594 -8.999 -2.479 1.00 42.33 N ATOM 1465 CA ALA B 240 3.059 -9.871 -1.423 1.00 65.15 C ATOM 1466 C ALA B 240 3.324 -9.290 -0.021 1.00 14.24 C ATOM 1467 O ALA B 240 2.526 -9.465 0.903 1.00 1.34 O ATOM 1468 CB ALA B 240 3.661 -11.269 -1.542 1.00 3.21 C ATOM 0 H ALA B 240 4.376 -9.400 -2.996 1.00 42.33 H new ATOM 0 HA ALA B 240 1.979 -9.934 -1.555 1.00 65.15 H new ATOM 0 HB1 ALA B 240 3.258 -11.907 -0.755 1.00 3.21 H new ATOM 0 HB2 ALA B 240 3.411 -11.691 -2.515 1.00 3.21 H new ATOM 0 HB3 ALA B 240 4.745 -11.208 -1.441 1.00 3.21 H new ATOM 1474 N TYR B 241 4.451 -8.598 0.129 1.00 33.21 N ATOM 1475 CA TYR B 241 4.821 -7.964 1.398 1.00 53.23 C ATOM 1476 C TYR B 241 3.857 -6.821 1.751 1.00 42.11 C ATOM 1477 O TYR B 241 3.335 -6.760 2.863 1.00 53.24 O ATOM 1478 CB TYR B 241 6.263 -7.443 1.316 1.00 53.44 C ATOM 1479 CG TYR B 241 6.777 -6.796 2.592 1.00 64.23 C ATOM 1480 CD1 TYR B 241 6.582 -7.394 3.834 1.00 15.41 C ATOM 1481 CD2 TYR B 241 7.468 -5.588 2.548 1.00 34.20 C ATOM 1482 CE1 TYR B 241 7.056 -6.805 4.991 1.00 34.41 C ATOM 1483 CE2 TYR B 241 7.945 -4.997 3.701 1.00 62.22 C ATOM 1484 CZ TYR B 241 7.740 -5.609 4.918 1.00 14.52 C ATOM 1485 OH TYR B 241 8.208 -5.013 6.066 1.00 3.43 O ATOM 0 H TYR B 241 5.131 -8.460 -0.618 1.00 33.21 H new ATOM 0 HA TYR B 241 4.753 -8.711 2.189 1.00 53.23 H new ATOM 0 HB2 TYR B 241 6.920 -8.272 1.055 1.00 53.44 H new ATOM 0 HB3 TYR B 241 6.327 -6.717 0.505 1.00 53.44 H new ATOM 0 HD1 TYR B 241 6.052 -8.333 3.894 1.00 15.41 H new ATOM 0 HD2 TYR B 241 7.634 -5.105 1.596 1.00 34.20 H new ATOM 0 HE1 TYR B 241 6.892 -7.279 5.948 1.00 34.41 H new ATOM 0 HE2 TYR B 241 8.477 -4.058 3.649 1.00 62.22 H new ATOM 0 HH TYR B 241 8.705 -5.670 6.596 1.00 3.43 H new ATOM 1495 N ILE B 242 3.618 -5.922 0.798 1.00 13.54 N ATOM 1496 CA ILE B 242 2.670 -4.817 1.006 1.00 20.43 C ATOM 1497 C ILE B 242 1.250 -5.356 1.248 1.00 33.35 C ATOM 1498 O ILE B 242 0.488 -4.799 2.040 1.00 53.14 O ATOM 1499 CB ILE B 242 2.651 -3.845 -0.202 1.00 32.44 C ATOM 1500 CG1 ILE B 242 4.076 -3.376 -0.541 1.00 0.13 C ATOM 1501 CG2 ILE B 242 1.744 -2.643 0.086 1.00 4.05 C ATOM 1502 CD1 ILE B 242 4.765 -2.631 0.586 1.00 53.02 C ATOM 0 H ILE B 242 4.061 -5.932 -0.121 1.00 13.54 H new ATOM 0 HA ILE B 242 3.006 -4.269 1.886 1.00 20.43 H new ATOM 0 HB ILE B 242 2.250 -4.379 -1.064 1.00 32.44 H new ATOM 0 HG12 ILE B 242 4.678 -4.243 -0.811 1.00 0.13 H new ATOM 0 HG13 ILE B 242 4.036 -2.730 -1.418 1.00 0.13 H new ATOM 0 HG21 ILE B 242 1.744 -1.973 -0.774 1.00 4.05 H new ATOM 0 HG22 ILE B 242 0.728 -2.991 0.275 1.00 4.05 H new ATOM 0 HG23 ILE B 242 2.114 -2.110 0.962 1.00 4.05 H new ATOM 0 HD11 ILE B 242 5.765 -2.334 0.268 1.00 53.02 H new ATOM 0 HD12 ILE B 242 4.187 -1.743 0.842 1.00 53.02 H new ATOM 0 HD13 ILE B 242 4.839 -3.280 1.459 1.00 53.02 H new ATOM 1514 N ARG B 243 0.919 -6.454 0.566 1.00 74.40 N ATOM 1515 CA ARG B 243 -0.371 -7.140 0.731 1.00 32.22 C ATOM 1516 C ARG B 243 -0.696 -7.426 2.212 1.00 23.40 C ATOM 1517 O ARG B 243 -1.791 -7.124 2.686 1.00 33.33 O ATOM 1518 CB ARG B 243 -0.358 -8.447 -0.077 1.00 1.11 C ATOM 1519 CG ARG B 243 -1.530 -9.380 0.209 1.00 0.33 C ATOM 1520 CD ARG B 243 -1.472 -10.639 -0.651 1.00 73.12 C ATOM 1521 NE ARG B 243 -2.412 -11.656 -0.191 1.00 30.31 N ATOM 1522 CZ ARG B 243 -2.902 -12.603 -0.942 1.00 63.52 C ATOM 1523 NH1 ARG B 243 -2.631 -12.660 -2.205 1.00 12.30 N ATOM 1524 NH2 ARG B 243 -3.689 -13.483 -0.430 1.00 61.30 N ATOM 0 H ARG B 243 1.535 -6.895 -0.117 1.00 74.40 H new ATOM 0 HA ARG B 243 -1.154 -6.480 0.358 1.00 32.22 H new ATOM 0 HB2 ARG B 243 -0.356 -8.202 -1.139 1.00 1.11 H new ATOM 0 HB3 ARG B 243 0.571 -8.978 0.130 1.00 1.11 H new ATOM 0 HG2 ARG B 243 -1.525 -9.659 1.263 1.00 0.33 H new ATOM 0 HG3 ARG B 243 -2.467 -8.855 0.023 1.00 0.33 H new ATOM 0 HD2 ARG B 243 -1.694 -10.382 -1.687 1.00 73.12 H new ATOM 0 HD3 ARG B 243 -0.461 -11.045 -0.633 1.00 73.12 H new ATOM 0 HE ARG B 243 -2.706 -11.624 0.785 1.00 30.31 H new ATOM 0 HH11 ARG B 243 -2.025 -11.957 -2.629 1.00 12.30 H new ATOM 0 HH12 ARG B 243 -3.023 -13.408 -2.777 1.00 12.30 H new ATOM 0 HH21 ARG B 243 -3.928 -13.439 0.561 1.00 61.30 H new ATOM 0 HH22 ARG B 243 -4.074 -14.225 -1.015 1.00 61.30 H new ATOM 1538 N ARG B 244 0.253 -8.016 2.940 1.00 41.44 N ATOM 1539 CA ARG B 244 0.047 -8.294 4.369 1.00 45.34 C ATOM 1540 C ARG B 244 0.116 -7.006 5.215 1.00 15.00 C ATOM 1541 O ARG B 244 -0.594 -6.876 6.212 1.00 31.30 O ATOM 1542 CB ARG B 244 1.064 -9.324 4.890 1.00 60.34 C ATOM 1543 CG ARG B 244 2.522 -8.945 4.648 1.00 22.41 C ATOM 1544 CD ARG B 244 3.480 -9.813 5.455 1.00 73.40 C ATOM 1545 NE ARG B 244 3.301 -9.617 6.895 1.00 72.41 N ATOM 1546 CZ ARG B 244 4.269 -9.355 7.731 1.00 4.12 C ATOM 1547 NH1 ARG B 244 5.496 -9.296 7.321 1.00 73.21 N ATOM 1548 NH2 ARG B 244 4.006 -9.158 8.979 1.00 5.11 N ATOM 0 H ARG B 244 1.159 -8.308 2.575 1.00 41.44 H new ATOM 0 HA ARG B 244 -0.954 -8.714 4.469 1.00 45.34 H new ATOM 0 HB2 ARG B 244 0.909 -9.461 5.960 1.00 60.34 H new ATOM 0 HB3 ARG B 244 0.867 -10.285 4.414 1.00 60.34 H new ATOM 0 HG2 ARG B 244 2.751 -9.043 3.587 1.00 22.41 H new ATOM 0 HG3 ARG B 244 2.673 -7.898 4.911 1.00 22.41 H new ATOM 0 HD2 ARG B 244 3.318 -10.862 5.207 1.00 73.40 H new ATOM 0 HD3 ARG B 244 4.507 -9.575 5.180 1.00 73.40 H new ATOM 0 HE ARG B 244 2.356 -9.690 7.271 1.00 72.41 H new ATOM 0 HH11 ARG B 244 5.713 -9.455 6.337 1.00 73.21 H new ATOM 0 HH12 ARG B 244 6.245 -9.091 7.982 1.00 73.21 H new ATOM 0 HH21 ARG B 244 3.043 -9.207 9.311 1.00 5.11 H new ATOM 0 HH22 ARG B 244 4.761 -8.953 9.633 1.00 5.11 H new ATOM 1562 N ILE B 245 0.965 -6.058 4.808 1.00 0.14 N ATOM 1563 CA ILE B 245 1.108 -4.781 5.529 1.00 25.11 C ATOM 1564 C ILE B 245 -0.229 -4.027 5.615 1.00 43.32 C ATOM 1565 O ILE B 245 -0.661 -3.623 6.699 1.00 0.43 O ATOM 1566 CB ILE B 245 2.172 -3.863 4.864 1.00 74.05 C ATOM 1567 CG1 ILE B 245 3.573 -4.484 4.992 1.00 22.04 C ATOM 1568 CG2 ILE B 245 2.145 -2.459 5.474 1.00 40.04 C ATOM 1569 CD1 ILE B 245 4.675 -3.648 4.376 1.00 62.44 C ATOM 0 H ILE B 245 1.563 -6.146 3.987 1.00 0.14 H new ATOM 0 HA ILE B 245 1.438 -5.032 6.537 1.00 25.11 H new ATOM 0 HB ILE B 245 1.929 -3.773 3.805 1.00 74.05 H new ATOM 0 HG12 ILE B 245 3.795 -4.639 6.048 1.00 22.04 H new ATOM 0 HG13 ILE B 245 3.569 -5.466 4.519 1.00 22.04 H new ATOM 0 HG21 ILE B 245 2.899 -1.838 4.991 1.00 40.04 H new ATOM 0 HG22 ILE B 245 1.160 -2.016 5.325 1.00 40.04 H new ATOM 0 HG23 ILE B 245 2.357 -2.522 6.541 1.00 40.04 H new ATOM 0 HD11 ILE B 245 5.632 -4.153 4.507 1.00 62.44 H new ATOM 0 HD12 ILE B 245 4.479 -3.514 3.312 1.00 62.44 H new ATOM 0 HD13 ILE B 245 4.709 -2.674 4.864 1.00 62.44 H new ATOM 1581 N ILE B 246 -0.879 -3.837 4.469 1.00 22.22 N ATOM 1582 CA ILE B 246 -2.168 -3.145 4.428 1.00 42.51 C ATOM 1583 C ILE B 246 -3.248 -3.928 5.189 1.00 41.42 C ATOM 1584 O ILE B 246 -4.084 -3.338 5.878 1.00 53.40 O ATOM 1585 CB ILE B 246 -2.635 -2.888 2.969 1.00 70.45 C ATOM 1586 CG1 ILE B 246 -2.743 -4.206 2.182 1.00 51.33 C ATOM 1587 CG2 ILE B 246 -1.679 -1.924 2.273 1.00 42.10 C ATOM 1588 CD1 ILE B 246 -3.111 -4.029 0.722 1.00 35.23 C ATOM 0 H ILE B 246 -0.538 -4.150 3.560 1.00 22.22 H new ATOM 0 HA ILE B 246 -2.023 -2.182 4.918 1.00 42.51 H new ATOM 0 HB ILE B 246 -3.627 -2.437 3.002 1.00 70.45 H new ATOM 0 HG12 ILE B 246 -1.790 -4.732 2.244 1.00 51.33 H new ATOM 0 HG13 ILE B 246 -3.490 -4.841 2.659 1.00 51.33 H new ATOM 0 HG21 ILE B 246 -2.016 -1.751 1.251 1.00 42.10 H new ATOM 0 HG22 ILE B 246 -1.659 -0.978 2.813 1.00 42.10 H new ATOM 0 HG23 ILE B 246 -0.677 -2.353 2.257 1.00 42.10 H new ATOM 0 HD11 ILE B 246 -3.166 -5.005 0.240 1.00 35.23 H new ATOM 0 HD12 ILE B 246 -4.079 -3.532 0.648 1.00 35.23 H new ATOM 0 HD13 ILE B 246 -2.353 -3.422 0.227 1.00 35.23 H new ATOM 1600 N LEU B 247 -3.209 -5.258 5.082 1.00 73.45 N ATOM 1601 CA LEU B 247 -4.169 -6.124 5.778 1.00 44.40 C ATOM 1602 C LEU B 247 -4.150 -5.877 7.297 1.00 61.12 C ATOM 1603 O LEU B 247 -5.200 -5.691 7.914 1.00 10.11 O ATOM 1604 CB LEU B 247 -3.873 -7.603 5.479 1.00 44.24 C ATOM 1605 CG LEU B 247 -4.865 -8.611 6.089 1.00 40.32 C ATOM 1606 CD1 LEU B 247 -6.279 -8.357 5.568 1.00 62.14 C ATOM 1607 CD2 LEU B 247 -4.425 -10.045 5.796 1.00 10.44 C ATOM 0 H LEU B 247 -2.523 -5.761 4.520 1.00 73.45 H new ATOM 0 HA LEU B 247 -5.165 -5.879 5.409 1.00 44.40 H new ATOM 0 HB2 LEU B 247 -3.859 -7.742 4.398 1.00 44.24 H new ATOM 0 HB3 LEU B 247 -2.873 -7.837 5.844 1.00 44.24 H new ATOM 0 HG LEU B 247 -4.873 -8.474 7.170 1.00 40.32 H new ATOM 0 HD11 LEU B 247 -6.965 -9.079 6.011 1.00 62.14 H new ATOM 0 HD12 LEU B 247 -6.591 -7.348 5.838 1.00 62.14 H new ATOM 0 HD13 LEU B 247 -6.291 -8.462 4.483 1.00 62.14 H new ATOM 0 HD21 LEU B 247 -5.139 -10.742 6.235 1.00 10.44 H new ATOM 0 HD22 LEU B 247 -4.384 -10.200 4.718 1.00 10.44 H new ATOM 0 HD23 LEU B 247 -3.438 -10.218 6.226 1.00 10.44 H new ATOM 1619 N ASN B 248 -2.948 -5.850 7.887 1.00 75.21 N ATOM 1620 CA ASN B 248 -2.784 -5.584 9.328 1.00 2.53 C ATOM 1621 C ASN B 248 -3.515 -4.303 9.768 1.00 62.04 C ATOM 1622 O ASN B 248 -3.991 -4.208 10.901 1.00 4.44 O ATOM 1623 CB ASN B 248 -1.294 -5.476 9.691 1.00 45.02 C ATOM 1624 CG ASN B 248 -0.574 -6.814 9.664 1.00 1.03 C ATOM 1625 OD1 ASN B 248 -0.938 -7.725 8.926 1.00 31.13 O ATOM 1626 ND2 ASN B 248 0.465 -6.947 10.467 1.00 23.00 N ATOM 0 H ASN B 248 -2.071 -6.009 7.390 1.00 75.21 H new ATOM 0 HA ASN B 248 -3.230 -6.425 9.858 1.00 2.53 H new ATOM 0 HB2 ASN B 248 -0.806 -4.794 8.995 1.00 45.02 H new ATOM 0 HB3 ASN B 248 -1.199 -5.040 10.685 1.00 45.02 H new ATOM 0 HD21 ASN B 248 0.987 -7.823 10.485 1.00 23.00 H new ATOM 0 HD22 ASN B 248 0.746 -6.174 11.070 1.00 23.00 H new ATOM 1633 N HIS B 249 -3.600 -3.319 8.872 1.00 61.40 N ATOM 1634 CA HIS B 249 -4.300 -2.066 9.173 1.00 62.23 C ATOM 1635 C HIS B 249 -5.810 -2.185 8.902 1.00 25.42 C ATOM 1636 O HIS B 249 -6.621 -1.694 9.679 1.00 54.04 O ATOM 1637 CB HIS B 249 -3.707 -0.909 8.358 1.00 12.14 C ATOM 1638 CG HIS B 249 -4.323 0.424 8.662 1.00 70.53 C ATOM 1639 ND1 HIS B 249 -4.185 1.064 9.876 1.00 51.12 N ATOM 1640 CD2 HIS B 249 -5.081 1.246 7.899 1.00 60.41 C ATOM 1641 CE1 HIS B 249 -4.823 2.216 9.841 1.00 55.51 C ATOM 1642 NE2 HIS B 249 -5.377 2.351 8.655 1.00 44.40 N ATOM 0 H HIS B 249 -3.196 -3.363 7.936 1.00 61.40 H new ATOM 0 HA HIS B 249 -4.163 -1.859 10.234 1.00 62.23 H new ATOM 0 HB2 HIS B 249 -2.635 -0.855 8.548 1.00 12.14 H new ATOM 0 HB3 HIS B 249 -3.832 -1.123 7.297 1.00 12.14 H new ATOM 0 HD2 HIS B 249 -5.395 1.065 6.882 1.00 60.41 H new ATOM 0 HE1 HIS B 249 -4.882 2.930 10.650 1.00 55.51 H new ATOM 0 HE2 HIS B 249 -5.935 3.148 8.348 1.00 44.40 H new ATOM 1651 N LEU B 250 -6.179 -2.840 7.800 1.00 24.22 N ATOM 1652 CA LEU B 250 -7.598 -3.008 7.437 1.00 41.50 C ATOM 1653 C LEU B 250 -8.362 -3.874 8.456 1.00 12.31 C ATOM 1654 O LEU B 250 -9.578 -3.742 8.605 1.00 74.44 O ATOM 1655 CB LEU B 250 -7.729 -3.606 6.022 1.00 14.45 C ATOM 1656 CG LEU B 250 -7.742 -2.587 4.865 1.00 40.41 C ATOM 1657 CD1 LEU B 250 -8.954 -1.665 4.968 1.00 13.40 C ATOM 1658 CD2 LEU B 250 -6.452 -1.773 4.825 1.00 64.35 C ATOM 0 H LEU B 250 -5.523 -3.263 7.143 1.00 24.22 H new ATOM 0 HA LEU B 250 -8.050 -2.016 7.449 1.00 41.50 H new ATOM 0 HB2 LEU B 250 -6.903 -4.299 5.862 1.00 14.45 H new ATOM 0 HB3 LEU B 250 -8.648 -4.190 5.978 1.00 14.45 H new ATOM 0 HG LEU B 250 -7.812 -3.148 3.933 1.00 40.41 H new ATOM 0 HD11 LEU B 250 -8.942 -0.955 4.141 1.00 13.40 H new ATOM 0 HD12 LEU B 250 -9.867 -2.258 4.923 1.00 13.40 H new ATOM 0 HD13 LEU B 250 -8.919 -1.123 5.913 1.00 13.40 H new ATOM 0 HD21 LEU B 250 -6.494 -1.064 3.998 1.00 64.35 H new ATOM 0 HD22 LEU B 250 -6.335 -1.230 5.763 1.00 64.35 H new ATOM 0 HD23 LEU B 250 -5.603 -2.443 4.686 1.00 64.35 H new ATOM 1670 N GLU B 251 -7.651 -4.768 9.143 1.00 34.42 N ATOM 1671 CA GLU B 251 -8.260 -5.589 10.201 1.00 23.54 C ATOM 1672 C GLU B 251 -8.279 -4.844 11.550 1.00 21.14 C ATOM 1673 O GLU B 251 -8.817 -5.345 12.539 1.00 11.23 O ATOM 1674 CB GLU B 251 -7.501 -6.918 10.359 1.00 75.50 C ATOM 1675 CG GLU B 251 -6.052 -6.751 10.813 1.00 54.31 C ATOM 1676 CD GLU B 251 -5.356 -8.075 11.082 1.00 10.31 C ATOM 1677 OE1 GLU B 251 -4.913 -8.733 10.118 1.00 25.24 O ATOM 1678 OE2 GLU B 251 -5.261 -8.473 12.265 1.00 35.31 O ATOM 0 H GLU B 251 -6.658 -4.945 8.991 1.00 34.42 H new ATOM 0 HA GLU B 251 -9.289 -5.793 9.904 1.00 23.54 H new ATOM 0 HB2 GLU B 251 -8.028 -7.543 11.080 1.00 75.50 H new ATOM 0 HB3 GLU B 251 -7.515 -7.449 9.407 1.00 75.50 H new ATOM 0 HG2 GLU B 251 -5.499 -6.205 10.049 1.00 54.31 H new ATOM 0 HG3 GLU B 251 -6.029 -6.144 11.718 1.00 54.31 H new ATOM 1685 N ASP B 252 -7.690 -3.650 11.581 1.00 64.24 N ATOM 1686 CA ASP B 252 -7.569 -2.866 12.817 1.00 14.32 C ATOM 1687 C ASP B 252 -8.368 -1.550 12.719 1.00 44.10 C ATOM 1688 O ASP B 252 -9.410 -1.397 13.358 1.00 71.43 O ATOM 1689 CB ASP B 252 -6.084 -2.585 13.090 1.00 60.51 C ATOM 1690 CG ASP B 252 -5.837 -1.979 14.459 1.00 24.15 C ATOM 1691 OD1 ASP B 252 -5.683 -2.743 15.435 1.00 42.22 O ATOM 1692 OD2 ASP B 252 -5.783 -0.735 14.567 1.00 32.00 O ATOM 0 H ASP B 252 -7.285 -3.199 10.761 1.00 64.24 H new ATOM 0 HA ASP B 252 -7.987 -3.438 13.646 1.00 14.32 H new ATOM 0 HB2 ASP B 252 -5.522 -3.515 13.004 1.00 60.51 H new ATOM 0 HB3 ASP B 252 -5.701 -1.909 12.325 1.00 60.51 H new ATOM 1697 N GLU B 253 -7.876 -0.613 11.908 1.00 31.33 N ATOM 1698 CA GLU B 253 -8.557 0.676 11.684 1.00 0.12 C ATOM 1699 C GLU B 253 -8.799 0.931 10.182 1.00 1.22 C ATOM 1700 O GLU B 253 -9.864 0.521 9.671 1.00 38.70 O ATOM 1701 CB GLU B 253 -7.741 1.831 12.295 1.00 34.14 C ATOM 1702 CG GLU B 253 -7.815 1.925 13.818 1.00 62.54 C ATOM 1703 CD GLU B 253 -9.217 2.249 14.327 1.00 0.40 C ATOM 1704 OE1 GLU B 253 -9.756 3.319 13.962 1.00 33.21 O ATOM 1705 OE2 GLU B 253 -9.788 1.441 15.092 1.00 62.01 O ATOM 1706 OXT GLU B 253 -7.934 1.546 9.520 1.00 38.70 O ATOM 0 H GLU B 253 -7.004 -0.718 11.390 1.00 31.33 H new ATOM 0 HA GLU B 253 -9.527 0.628 12.178 1.00 0.12 H new ATOM 0 HB2 GLU B 253 -6.698 1.716 12.001 1.00 34.14 H new ATOM 0 HB3 GLU B 253 -8.091 2.771 11.869 1.00 34.14 H new ATOM 0 HG2 GLU B 253 -7.486 0.980 14.251 1.00 62.54 H new ATOM 0 HG3 GLU B 253 -7.122 2.693 14.163 1.00 62.54 H new