USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 702 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: B 222 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 225 LYS NZ :NH3+ -142:sc= 1.09 (180deg=0.988) USER MOD Set 2.1: A 10 THR OG1 : rot 48:sc= 0.261 USER MOD Set 2.2: B 216 THR OG1 : rot 126:sc= -1.51! USER MOD Set 2.3: B 217 GLN : amide:sc= -0.744 X(o=-2,f=-1.7) USER MOD Set 3.1: A 16 THR OG1 : rot -99:sc= 0.936 USER MOD Set 3.2: A 17 GLN : amide:sc= 0.559 K(o=1.5,f=-0.98) USER MOD Single : A 13 SER OG : rot 36:sc= 0.0544 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= -3.23! (180deg=-3.31!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.672 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 44:sc= 0.467 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -34:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0751) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0.611 (180deg=0.492) USER MOD Single : B 210 THR OG1 : rot 26:sc= 0.124 USER MOD Single : B 213 SER OG : rot 40:sc= 0.0352 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 74:sc= 0.806 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 41:sc= 0.396 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -1:sc= 1.09 USER MOD Single : B 242 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.508) USER MOD Single : B 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -8.926 -11.708 -7.374 1.00 3.31 N ATOM 138 CA THR A 10 -7.600 -11.862 -6.872 1.00 72.01 C ATOM 139 C THR A 10 -6.858 -10.539 -6.889 1.00 53.21 C ATOM 140 O THR A 10 -6.593 -9.971 -7.967 1.00 23.24 O ATOM 141 CB THR A 10 -6.823 -12.925 -7.669 1.00 33.33 C ATOM 142 OG1 THR A 10 -6.869 -12.617 -9.070 1.00 62.13 O ATOM 143 CG2 THR A 10 -7.398 -14.312 -7.432 1.00 60.24 C ATOM 0 HA THR A 10 -7.675 -12.201 -5.839 1.00 72.01 H new ATOM 0 HB THR A 10 -5.788 -12.917 -7.327 1.00 33.33 H new ATOM 0 HG1 THR A 10 -6.653 -11.671 -9.204 1.00 62.13 H new ATOM 0 HG21 THR A 10 -6.831 -15.044 -8.007 1.00 60.24 H new ATOM 0 HG22 THR A 10 -7.335 -14.556 -6.371 1.00 60.24 H new ATOM 0 HG23 THR A 10 -8.441 -14.332 -7.748 1.00 60.24 H new ATOM 151 N CYS A 11 -6.528 -10.040 -5.724 1.00 51.31 N ATOM 152 CA CYS A 11 -5.814 -8.795 -5.638 1.00 64.21 C ATOM 153 C CYS A 11 -4.505 -9.053 -4.911 1.00 32.13 C ATOM 154 O CYS A 11 -4.459 -9.865 -3.979 1.00 20.14 O ATOM 155 CB CYS A 11 -6.604 -7.763 -4.822 1.00 22.04 C ATOM 156 SG CYS A 11 -8.404 -7.576 -5.206 1.00 3.04 S ATOM 0 H CYS A 11 -6.742 -10.476 -4.827 1.00 51.31 H new ATOM 0 HA CYS A 11 -5.655 -8.410 -6.645 1.00 64.21 H new ATOM 0 HB2 CYS A 11 -6.509 -8.023 -3.768 1.00 22.04 H new ATOM 0 HB3 CYS A 11 -6.128 -6.792 -4.955 1.00 22.04 H new ATOM 161 N VAL A 12 -3.459 -8.375 -5.316 1.00 71.35 N ATOM 162 CA VAL A 12 -2.154 -8.503 -4.693 1.00 32.33 C ATOM 163 C VAL A 12 -1.481 -7.131 -4.607 1.00 53.23 C ATOM 164 O VAL A 12 -1.798 -6.228 -5.385 1.00 43.53 O ATOM 165 CB VAL A 12 -1.222 -9.536 -5.425 1.00 25.25 C ATOM 166 CG1 VAL A 12 -1.763 -10.959 -5.319 1.00 53.04 C ATOM 167 CG2 VAL A 12 -0.998 -9.171 -6.893 1.00 23.13 C ATOM 0 H VAL A 12 -3.484 -7.713 -6.092 1.00 71.35 H new ATOM 0 HA VAL A 12 -2.314 -8.895 -3.689 1.00 32.33 H new ATOM 0 HB VAL A 12 -0.260 -9.492 -4.915 1.00 25.25 H new ATOM 0 HG11 VAL A 12 -1.091 -11.643 -5.837 1.00 53.04 H new ATOM 0 HG12 VAL A 12 -1.833 -11.244 -4.269 1.00 53.04 H new ATOM 0 HG13 VAL A 12 -2.752 -11.007 -5.775 1.00 53.04 H new ATOM 0 HG21 VAL A 12 -0.348 -9.913 -7.357 1.00 23.13 H new ATOM 0 HG22 VAL A 12 -1.956 -9.151 -7.413 1.00 23.13 H new ATOM 0 HG23 VAL A 12 -0.530 -8.189 -6.956 1.00 23.13 H new ATOM 177 N SER A 13 -0.591 -6.963 -3.667 1.00 72.12 N ATOM 178 CA SER A 13 0.080 -5.697 -3.477 1.00 33.14 C ATOM 179 C SER A 13 1.605 -5.890 -3.348 1.00 14.30 C ATOM 180 O SER A 13 2.070 -6.680 -2.518 1.00 14.05 O ATOM 181 CB SER A 13 -0.501 -5.000 -2.239 1.00 10.12 C ATOM 182 OG SER A 13 -0.459 -5.859 -1.105 1.00 73.33 O ATOM 0 H SER A 13 -0.309 -7.693 -3.012 1.00 72.12 H new ATOM 0 HA SER A 13 -0.088 -5.067 -4.351 1.00 33.14 H new ATOM 0 HB2 SER A 13 0.062 -4.090 -2.032 1.00 10.12 H new ATOM 0 HB3 SER A 13 -1.530 -4.700 -2.435 1.00 10.12 H new ATOM 0 HG SER A 13 0.352 -6.407 -1.140 1.00 73.33 H new ATOM 188 N LEU A 14 2.363 -5.181 -4.164 1.00 41.33 N ATOM 189 CA LEU A 14 3.816 -5.263 -4.173 1.00 42.41 C ATOM 190 C LEU A 14 4.452 -3.921 -3.889 1.00 43.32 C ATOM 191 O LEU A 14 4.219 -2.955 -4.601 1.00 60.44 O ATOM 192 CB LEU A 14 4.284 -5.786 -5.516 1.00 12.32 C ATOM 193 CG LEU A 14 4.069 -7.263 -5.753 1.00 4.11 C ATOM 194 CD1 LEU A 14 4.262 -7.592 -7.227 1.00 61.53 C ATOM 195 CD2 LEU A 14 5.069 -8.040 -4.893 1.00 20.31 C ATOM 0 H LEU A 14 1.985 -4.524 -4.847 1.00 41.33 H new ATOM 0 HA LEU A 14 4.123 -5.947 -3.382 1.00 42.41 H new ATOM 0 HB2 LEU A 14 3.769 -5.232 -6.301 1.00 12.32 H new ATOM 0 HB3 LEU A 14 5.348 -5.571 -5.619 1.00 12.32 H new ATOM 0 HG LEU A 14 3.052 -7.543 -5.478 1.00 4.11 H new ATOM 0 HD11 LEU A 14 4.105 -8.659 -7.385 1.00 61.53 H new ATOM 0 HD12 LEU A 14 3.545 -7.027 -7.823 1.00 61.53 H new ATOM 0 HD13 LEU A 14 5.275 -7.326 -7.530 1.00 61.53 H new ATOM 0 HD21 LEU A 14 4.930 -9.110 -5.050 1.00 20.31 H new ATOM 0 HD22 LEU A 14 6.085 -7.761 -5.174 1.00 20.31 H new ATOM 0 HD23 LEU A 14 4.906 -7.803 -3.842 1.00 20.31 H new ATOM 207 N THR A 15 5.257 -3.866 -2.866 1.00 62.53 N ATOM 208 CA THR A 15 5.917 -2.647 -2.492 1.00 31.32 C ATOM 209 C THR A 15 7.314 -2.592 -3.111 1.00 64.21 C ATOM 210 O THR A 15 8.071 -3.565 -3.047 1.00 20.35 O ATOM 211 CB THR A 15 6.022 -2.537 -0.960 1.00 45.51 C ATOM 212 OG1 THR A 15 4.711 -2.655 -0.386 1.00 20.55 O ATOM 213 CG2 THR A 15 6.611 -1.200 -0.563 1.00 34.35 C ATOM 0 H THR A 15 5.474 -4.664 -2.268 1.00 62.53 H new ATOM 0 HA THR A 15 5.327 -1.809 -2.864 1.00 31.32 H new ATOM 0 HB THR A 15 6.669 -3.335 -0.596 1.00 45.51 H new ATOM 0 HG1 THR A 15 4.774 -2.587 0.590 1.00 20.55 H new ATOM 0 HG21 THR A 15 6.678 -1.140 0.523 1.00 34.35 H new ATOM 0 HG22 THR A 15 7.607 -1.099 -0.994 1.00 34.35 H new ATOM 0 HG23 THR A 15 5.973 -0.397 -0.932 1.00 34.35 H new ATOM 221 N THR A 16 7.637 -1.481 -3.727 1.00 74.10 N ATOM 222 CA THR A 16 8.915 -1.311 -4.329 1.00 41.41 C ATOM 223 C THR A 16 9.316 0.172 -4.227 1.00 1.42 C ATOM 224 O THR A 16 8.444 1.049 -4.317 1.00 0.44 O ATOM 225 CB THR A 16 8.894 -1.808 -5.815 1.00 74.31 C ATOM 226 OG1 THR A 16 10.217 -1.810 -6.359 1.00 44.11 O ATOM 227 CG2 THR A 16 7.979 -0.945 -6.690 1.00 40.34 C ATOM 0 H THR A 16 7.016 -0.677 -3.819 1.00 74.10 H new ATOM 0 HA THR A 16 9.658 -1.912 -3.805 1.00 41.41 H new ATOM 0 HB THR A 16 8.500 -2.824 -5.811 1.00 74.31 H new ATOM 0 HG1 THR A 16 10.351 -1.001 -6.896 1.00 44.11 H new ATOM 0 HG21 THR A 16 7.992 -1.322 -7.713 1.00 40.34 H new ATOM 0 HG22 THR A 16 6.961 -0.984 -6.302 1.00 40.34 H new ATOM 0 HG23 THR A 16 8.332 0.086 -6.679 1.00 40.34 H new ATOM 235 N GLN A 17 10.617 0.433 -3.981 1.00 35.23 N ATOM 236 CA GLN A 17 11.172 1.808 -3.856 1.00 14.04 C ATOM 237 C GLN A 17 10.611 2.575 -2.646 1.00 42.40 C ATOM 238 O GLN A 17 9.698 2.113 -1.946 1.00 41.52 O ATOM 239 CB GLN A 17 10.978 2.649 -5.151 1.00 42.14 C ATOM 240 CG GLN A 17 11.897 2.315 -6.342 1.00 40.51 C ATOM 241 CD GLN A 17 11.868 0.868 -6.769 1.00 41.34 C ATOM 242 OE1 GLN A 17 11.050 0.467 -7.586 1.00 75.54 O ATOM 243 NE2 GLN A 17 12.789 0.087 -6.259 1.00 65.53 N ATOM 0 H GLN A 17 11.317 -0.300 -3.863 1.00 35.23 H new ATOM 0 HA GLN A 17 12.241 1.666 -3.695 1.00 14.04 H new ATOM 0 HB2 GLN A 17 9.944 2.536 -5.478 1.00 42.14 H new ATOM 0 HB3 GLN A 17 11.119 3.700 -4.898 1.00 42.14 H new ATOM 0 HG2 GLN A 17 11.611 2.937 -7.190 1.00 40.51 H new ATOM 0 HG3 GLN A 17 12.921 2.583 -6.081 1.00 40.51 H new ATOM 0 HE21 GLN A 17 13.454 0.458 -5.580 1.00 65.53 H new ATOM 0 HE22 GLN A 17 12.841 -0.892 -6.541 1.00 65.53 H new ATOM 252 N ARG A 18 11.191 3.732 -2.382 1.00 13.34 N ATOM 253 CA ARG A 18 10.698 4.613 -1.342 1.00 24.44 C ATOM 254 C ARG A 18 10.546 6.019 -1.897 1.00 35.24 C ATOM 255 O ARG A 18 10.301 6.975 -1.165 1.00 51.13 O ATOM 256 CB ARG A 18 11.626 4.623 -0.126 1.00 72.50 C ATOM 257 CG ARG A 18 13.001 5.217 -0.368 1.00 24.32 C ATOM 258 CD ARG A 18 13.827 5.147 0.889 1.00 11.12 C ATOM 259 NE ARG A 18 14.053 3.757 1.308 1.00 72.25 N ATOM 260 CZ ARG A 18 14.224 3.354 2.568 1.00 73.12 C ATOM 261 NH1 ARG A 18 14.166 4.228 3.565 1.00 74.42 N ATOM 262 NH2 ARG A 18 14.441 2.069 2.823 1.00 35.41 N ATOM 0 H ARG A 18 12.010 4.084 -2.878 1.00 13.34 H new ATOM 0 HA ARG A 18 9.728 4.242 -1.012 1.00 24.44 H new ATOM 0 HB2 ARG A 18 11.142 5.181 0.676 1.00 72.50 H new ATOM 0 HB3 ARG A 18 11.747 3.599 0.227 1.00 72.50 H new ATOM 0 HG2 ARG A 18 13.502 4.677 -1.171 1.00 24.32 H new ATOM 0 HG3 ARG A 18 12.905 6.253 -0.692 1.00 24.32 H new ATOM 0 HD2 ARG A 18 14.786 5.639 0.724 1.00 11.12 H new ATOM 0 HD3 ARG A 18 13.323 5.692 1.688 1.00 11.12 H new ATOM 0 HE ARG A 18 14.081 3.045 0.579 1.00 72.25 H new ATOM 0 HH11 ARG A 18 13.990 5.214 3.370 1.00 74.42 H new ATOM 0 HH12 ARG A 18 14.297 3.914 4.527 1.00 74.42 H new ATOM 0 HH21 ARG A 18 14.476 1.396 2.057 1.00 35.41 H new ATOM 0 HH22 ARG A 18 14.572 1.755 3.785 1.00 35.41 H new ATOM 276 N LEU A 19 10.653 6.122 -3.200 1.00 51.44 N ATOM 277 CA LEU A 19 10.591 7.401 -3.876 1.00 12.50 C ATOM 278 C LEU A 19 9.143 7.797 -4.102 1.00 10.43 C ATOM 279 O LEU A 19 8.367 7.006 -4.619 1.00 33.32 O ATOM 280 CB LEU A 19 11.357 7.383 -5.229 1.00 73.05 C ATOM 281 CG LEU A 19 12.899 7.190 -5.196 1.00 52.44 C ATOM 282 CD1 LEU A 19 13.312 5.813 -4.688 1.00 61.12 C ATOM 283 CD2 LEU A 19 13.492 7.445 -6.568 1.00 52.41 C ATOM 0 H LEU A 19 10.785 5.325 -3.823 1.00 51.44 H new ATOM 0 HA LEU A 19 11.077 8.137 -3.235 1.00 12.50 H new ATOM 0 HB2 LEU A 19 10.934 6.586 -5.841 1.00 73.05 H new ATOM 0 HB3 LEU A 19 11.150 8.322 -5.742 1.00 73.05 H new ATOM 0 HG LEU A 19 13.293 7.919 -4.488 1.00 52.44 H new ATOM 0 HD11 LEU A 19 14.399 5.737 -4.687 1.00 61.12 H new ATOM 0 HD12 LEU A 19 12.938 5.672 -3.674 1.00 61.12 H new ATOM 0 HD13 LEU A 19 12.895 5.045 -5.339 1.00 61.12 H new ATOM 0 HD21 LEU A 19 14.572 7.306 -6.529 1.00 52.41 H new ATOM 0 HD22 LEU A 19 13.062 6.746 -7.286 1.00 52.41 H new ATOM 0 HD23 LEU A 19 13.268 8.466 -6.877 1.00 52.41 H new ATOM 295 N PRO A 20 8.755 9.010 -3.682 1.00 51.54 N ATOM 296 CA PRO A 20 7.387 9.489 -3.846 1.00 31.12 C ATOM 297 C PRO A 20 6.979 9.607 -5.316 1.00 52.14 C ATOM 298 O PRO A 20 7.759 10.065 -6.171 1.00 1.21 O ATOM 299 CB PRO A 20 7.390 10.870 -3.180 1.00 70.20 C ATOM 300 CG PRO A 20 8.826 11.259 -3.062 1.00 4.33 C ATOM 301 CD PRO A 20 9.616 9.991 -3.008 1.00 1.43 C ATOM 0 HA PRO A 20 6.670 8.797 -3.405 1.00 31.12 H new ATOM 0 HB2 PRO A 20 6.836 11.594 -3.778 1.00 70.20 H new ATOM 0 HB3 PRO A 20 6.913 10.833 -2.201 1.00 70.20 H new ATOM 0 HG2 PRO A 20 9.132 11.869 -3.912 1.00 4.33 H new ATOM 0 HG3 PRO A 20 8.992 11.856 -2.165 1.00 4.33 H new ATOM 0 HD2 PRO A 20 10.575 10.096 -3.515 1.00 1.43 H new ATOM 0 HD3 PRO A 20 9.829 9.696 -1.980 1.00 1.43 H new ATOM 309 N VAL A 21 5.756 9.242 -5.585 1.00 64.11 N ATOM 310 CA VAL A 21 5.207 9.240 -6.924 1.00 1.33 C ATOM 311 C VAL A 21 4.467 10.538 -7.210 1.00 55.20 C ATOM 312 O VAL A 21 4.166 11.305 -6.275 1.00 52.23 O ATOM 313 CB VAL A 21 4.274 8.022 -7.169 1.00 11.33 C ATOM 314 CG1 VAL A 21 5.057 6.722 -7.063 1.00 11.22 C ATOM 315 CG2 VAL A 21 3.109 8.017 -6.185 1.00 13.23 C ATOM 0 H VAL A 21 5.097 8.931 -4.871 1.00 64.11 H new ATOM 0 HA VAL A 21 6.048 9.156 -7.613 1.00 1.33 H new ATOM 0 HB VAL A 21 3.868 8.107 -8.177 1.00 11.33 H new ATOM 0 HG11 VAL A 21 4.388 5.879 -7.237 1.00 11.22 H new ATOM 0 HG12 VAL A 21 5.852 6.714 -7.808 1.00 11.22 H new ATOM 0 HG13 VAL A 21 5.492 6.640 -6.067 1.00 11.22 H new ATOM 0 HG21 VAL A 21 2.472 7.154 -6.379 1.00 13.23 H new ATOM 0 HG22 VAL A 21 3.493 7.962 -5.166 1.00 13.23 H new ATOM 0 HG23 VAL A 21 2.528 8.931 -6.305 1.00 13.23 H new ATOM 325 N SER A 22 4.204 10.788 -8.485 1.00 4.24 N ATOM 326 CA SER A 22 3.524 11.983 -8.949 1.00 40.11 C ATOM 327 C SER A 22 2.176 12.186 -8.209 1.00 73.41 C ATOM 328 O SER A 22 1.850 13.307 -7.789 1.00 53.14 O ATOM 329 CB SER A 22 3.309 11.870 -10.475 1.00 71.02 C ATOM 330 OG SER A 22 2.772 13.062 -11.033 1.00 24.21 O ATOM 0 H SER A 22 4.464 10.151 -9.239 1.00 4.24 H new ATOM 0 HA SER A 22 4.139 12.856 -8.732 1.00 40.11 H new ATOM 0 HB2 SER A 22 4.259 11.641 -10.958 1.00 71.02 H new ATOM 0 HB3 SER A 22 2.637 11.038 -10.685 1.00 71.02 H new ATOM 0 HG SER A 22 2.654 12.947 -11.999 1.00 24.21 H new ATOM 336 N ARG A 23 1.427 11.105 -8.037 1.00 3.24 N ATOM 337 CA ARG A 23 0.144 11.126 -7.339 1.00 14.02 C ATOM 338 C ARG A 23 -0.268 9.669 -7.168 1.00 41.22 C ATOM 339 O ARG A 23 0.402 8.811 -7.698 1.00 14.34 O ATOM 340 CB ARG A 23 -0.916 11.854 -8.213 1.00 62.24 C ATOM 341 CG ARG A 23 -2.224 12.212 -7.497 1.00 4.12 C ATOM 342 CD ARG A 23 -2.048 13.388 -6.520 1.00 51.01 C ATOM 343 NE ARG A 23 -1.029 13.161 -5.473 1.00 15.53 N ATOM 344 CZ ARG A 23 -0.127 14.082 -5.078 1.00 75.22 C ATOM 345 NH1 ARG A 23 -0.116 15.286 -5.639 1.00 13.43 N ATOM 346 NH2 ARG A 23 0.756 13.791 -4.129 1.00 3.11 N ATOM 0 H ARG A 23 1.692 10.182 -8.379 1.00 3.24 H new ATOM 0 HA ARG A 23 0.220 11.644 -6.383 1.00 14.02 H new ATOM 0 HB2 ARG A 23 -0.473 12.770 -8.604 1.00 62.24 H new ATOM 0 HB3 ARG A 23 -1.151 11.223 -9.070 1.00 62.24 H new ATOM 0 HG2 ARG A 23 -2.983 12.467 -8.236 1.00 4.12 H new ATOM 0 HG3 ARG A 23 -2.589 11.341 -6.953 1.00 4.12 H new ATOM 0 HD2 ARG A 23 -1.778 14.279 -7.087 1.00 51.01 H new ATOM 0 HD3 ARG A 23 -3.005 13.594 -6.041 1.00 51.01 H new ATOM 0 HE ARG A 23 -1.007 12.248 -5.020 1.00 15.53 H new ATOM 0 HH11 ARG A 23 -0.790 15.515 -6.369 1.00 13.43 H new ATOM 0 HH12 ARG A 23 0.567 15.982 -5.339 1.00 13.43 H new ATOM 0 HH21 ARG A 23 0.754 12.868 -3.696 1.00 3.11 H new ATOM 0 HH22 ARG A 23 1.436 14.491 -3.834 1.00 3.11 H new ATOM 360 N ILE A 24 -1.319 9.373 -6.424 1.00 15.33 N ATOM 361 CA ILE A 24 -1.829 8.011 -6.387 1.00 33.22 C ATOM 362 C ILE A 24 -2.833 7.919 -7.523 1.00 74.22 C ATOM 363 O ILE A 24 -3.827 8.644 -7.547 1.00 44.01 O ATOM 364 CB ILE A 24 -2.549 7.661 -5.041 1.00 35.22 C ATOM 365 CG1 ILE A 24 -1.682 8.021 -3.808 1.00 50.45 C ATOM 366 CG2 ILE A 24 -2.920 6.182 -5.008 1.00 2.32 C ATOM 367 CD1 ILE A 24 -0.355 7.320 -3.732 1.00 34.13 C ATOM 0 H ILE A 24 -1.829 10.042 -5.847 1.00 15.33 H new ATOM 0 HA ILE A 24 -1.000 7.309 -6.480 1.00 33.22 H new ATOM 0 HB ILE A 24 -3.457 8.262 -4.992 1.00 35.22 H new ATOM 0 HG12 ILE A 24 -1.507 9.097 -3.809 1.00 50.45 H new ATOM 0 HG13 ILE A 24 -2.249 7.791 -2.906 1.00 50.45 H new ATOM 0 HG21 ILE A 24 -3.420 5.953 -4.067 1.00 2.32 H new ATOM 0 HG22 ILE A 24 -3.589 5.956 -5.838 1.00 2.32 H new ATOM 0 HG23 ILE A 24 -2.017 5.578 -5.095 1.00 2.32 H new ATOM 0 HD11 ILE A 24 0.175 7.640 -2.835 1.00 34.13 H new ATOM 0 HD12 ILE A 24 -0.514 6.242 -3.695 1.00 34.13 H new ATOM 0 HD13 ILE A 24 0.239 7.569 -4.612 1.00 34.13 H new ATOM 379 N LYS A 25 -2.571 7.059 -8.445 1.00 44.11 N ATOM 380 CA LYS A 25 -3.362 6.953 -9.637 1.00 3.54 C ATOM 381 C LYS A 25 -3.655 5.498 -9.881 1.00 23.23 C ATOM 382 O LYS A 25 -2.859 4.624 -9.481 1.00 60.21 O ATOM 383 CB LYS A 25 -2.679 7.612 -10.928 1.00 45.44 C ATOM 384 CG LYS A 25 -1.507 6.875 -11.627 1.00 71.31 C ATOM 385 CD LYS A 25 -0.124 7.124 -11.026 1.00 62.45 C ATOM 386 CE LYS A 25 -0.012 6.602 -9.638 1.00 42.10 C ATOM 387 NZ LYS A 25 1.317 6.719 -9.062 1.00 55.42 N ATOM 0 H LYS A 25 -1.795 6.399 -8.399 1.00 44.11 H new ATOM 0 HA LYS A 25 -4.280 7.518 -9.476 1.00 3.54 H new ATOM 0 HB2 LYS A 25 -3.462 7.762 -11.672 1.00 45.44 H new ATOM 0 HB3 LYS A 25 -2.319 8.600 -10.640 1.00 45.44 H new ATOM 0 HG2 LYS A 25 -1.708 5.804 -11.602 1.00 71.31 H new ATOM 0 HG3 LYS A 25 -1.487 7.172 -12.676 1.00 71.31 H new ATOM 0 HD2 LYS A 25 0.633 6.651 -11.652 1.00 62.45 H new ATOM 0 HD3 LYS A 25 0.084 8.194 -11.028 1.00 62.45 H new ATOM 0 HE2 LYS A 25 -0.719 7.136 -9.003 1.00 42.10 H new ATOM 0 HE3 LYS A 25 -0.307 5.553 -9.632 1.00 42.10 H new ATOM 0 HZ1 LYS A 25 1.286 6.445 -8.059 1.00 55.42 H new ATOM 0 HZ2 LYS A 25 1.973 6.093 -9.572 1.00 55.42 H new ATOM 0 HZ3 LYS A 25 1.645 7.703 -9.142 1.00 55.42 H new ATOM 401 N THR A 26 -4.767 5.238 -10.497 1.00 44.22 N ATOM 402 CA THR A 26 -5.188 3.906 -10.800 1.00 52.00 C ATOM 403 C THR A 26 -5.342 3.675 -12.284 1.00 34.34 C ATOM 404 O THR A 26 -5.930 4.490 -13.001 1.00 5.02 O ATOM 405 CB THR A 26 -6.491 3.525 -10.067 1.00 11.51 C ATOM 406 OG1 THR A 26 -7.381 4.656 -10.006 1.00 25.14 O ATOM 407 CG2 THR A 26 -6.226 2.971 -8.678 1.00 10.42 C ATOM 0 H THR A 26 -5.418 5.959 -10.808 1.00 44.22 H new ATOM 0 HA THR A 26 -4.391 3.256 -10.438 1.00 52.00 H new ATOM 0 HB THR A 26 -6.969 2.731 -10.641 1.00 11.51 H new ATOM 0 HG1 THR A 26 -8.204 4.400 -9.540 1.00 25.14 H new ATOM 0 HG21 THR A 26 -7.173 2.717 -8.201 1.00 10.42 H new ATOM 0 HG22 THR A 26 -5.607 2.077 -8.755 1.00 10.42 H new ATOM 0 HG23 THR A 26 -5.708 3.721 -8.080 1.00 10.42 H new ATOM 415 N TYR A 27 -4.799 2.583 -12.733 1.00 3.01 N ATOM 416 CA TYR A 27 -4.936 2.158 -14.098 1.00 20.22 C ATOM 417 C TYR A 27 -5.845 0.974 -14.140 1.00 73.14 C ATOM 418 O TYR A 27 -5.726 0.068 -13.310 1.00 20.21 O ATOM 419 CB TYR A 27 -3.569 1.774 -14.695 1.00 12.11 C ATOM 420 CG TYR A 27 -2.651 2.941 -14.944 1.00 52.11 C ATOM 421 CD1 TYR A 27 -1.977 3.568 -13.908 1.00 23.43 C ATOM 422 CD2 TYR A 27 -2.476 3.428 -16.225 1.00 60.33 C ATOM 423 CE1 TYR A 27 -1.159 4.641 -14.151 1.00 62.22 C ATOM 424 CE2 TYR A 27 -1.666 4.502 -16.474 1.00 1.31 C ATOM 425 CZ TYR A 27 -1.005 5.108 -15.438 1.00 15.31 C ATOM 426 OH TYR A 27 -0.215 6.209 -15.688 1.00 60.23 O ATOM 0 H TYR A 27 -4.241 1.953 -12.156 1.00 3.01 H new ATOM 0 HA TYR A 27 -5.347 2.978 -14.686 1.00 20.22 H new ATOM 0 HB2 TYR A 27 -3.074 1.075 -14.020 1.00 12.11 H new ATOM 0 HB3 TYR A 27 -3.732 1.248 -15.636 1.00 12.11 H new ATOM 0 HD1 TYR A 27 -2.098 3.207 -12.897 1.00 23.43 H new ATOM 0 HD2 TYR A 27 -2.989 2.951 -17.047 1.00 60.33 H new ATOM 0 HE1 TYR A 27 -0.637 5.119 -13.336 1.00 62.22 H new ATOM 0 HE2 TYR A 27 -1.548 4.870 -17.482 1.00 1.31 H new ATOM 0 HH TYR A 27 -0.216 6.401 -16.649 1.00 60.23 H new ATOM 436 N THR A 28 -6.768 0.984 -15.058 1.00 3.13 N ATOM 437 CA THR A 28 -7.640 -0.129 -15.219 1.00 14.21 C ATOM 438 C THR A 28 -7.330 -0.870 -16.486 1.00 54.04 C ATOM 439 O THR A 28 -7.291 -0.293 -17.572 1.00 1.15 O ATOM 440 CB THR A 28 -9.156 0.224 -15.133 1.00 62.21 C ATOM 441 OG1 THR A 28 -9.478 1.366 -15.934 1.00 44.31 O ATOM 442 CG2 THR A 28 -9.621 0.424 -13.697 1.00 70.23 C ATOM 0 H THR A 28 -6.931 1.755 -15.705 1.00 3.13 H new ATOM 0 HA THR A 28 -7.447 -0.779 -14.365 1.00 14.21 H new ATOM 0 HB THR A 28 -9.696 -0.634 -15.534 1.00 62.21 H new ATOM 0 HG1 THR A 28 -10.436 1.559 -15.859 1.00 44.31 H new ATOM 0 HG21 THR A 28 -10.683 0.668 -13.689 1.00 70.23 H new ATOM 0 HG22 THR A 28 -9.455 -0.492 -13.130 1.00 70.23 H new ATOM 0 HG23 THR A 28 -9.058 1.239 -13.243 1.00 70.23 H new ATOM 450 N ILE A 29 -7.079 -2.127 -16.338 1.00 45.42 N ATOM 451 CA ILE A 29 -6.808 -2.981 -17.442 1.00 35.32 C ATOM 452 C ILE A 29 -8.052 -3.773 -17.723 1.00 65.04 C ATOM 453 O ILE A 29 -8.625 -4.372 -16.827 1.00 22.20 O ATOM 454 CB ILE A 29 -5.650 -3.956 -17.114 1.00 73.01 C ATOM 455 CG1 ILE A 29 -4.342 -3.201 -16.885 1.00 22.12 C ATOM 456 CG2 ILE A 29 -5.493 -4.987 -18.203 1.00 24.45 C ATOM 457 CD1 ILE A 29 -3.181 -4.067 -16.466 1.00 60.42 C ATOM 0 H ILE A 29 -7.056 -2.596 -15.433 1.00 45.42 H new ATOM 0 HA ILE A 29 -6.516 -2.382 -18.304 1.00 35.32 H new ATOM 0 HB ILE A 29 -5.901 -4.475 -16.189 1.00 73.01 H new ATOM 0 HG12 ILE A 29 -4.075 -2.677 -17.803 1.00 22.12 H new ATOM 0 HG13 ILE A 29 -4.506 -2.441 -16.121 1.00 22.12 H new ATOM 0 HG21 ILE A 29 -4.674 -5.661 -17.951 1.00 24.45 H new ATOM 0 HG22 ILE A 29 -6.416 -5.558 -18.299 1.00 24.45 H new ATOM 0 HG23 ILE A 29 -5.275 -4.488 -19.147 1.00 24.45 H new ATOM 0 HD11 ILE A 29 -2.296 -3.446 -16.326 1.00 60.42 H new ATOM 0 HD12 ILE A 29 -3.422 -4.571 -15.530 1.00 60.42 H new ATOM 0 HD13 ILE A 29 -2.985 -4.811 -17.238 1.00 60.42 H new ATOM 469 N THR A 30 -8.460 -3.758 -18.935 1.00 65.02 N ATOM 470 CA THR A 30 -9.636 -4.454 -19.360 1.00 2.41 C ATOM 471 C THR A 30 -9.348 -5.210 -20.635 1.00 60.11 C ATOM 472 O THR A 30 -9.484 -4.669 -21.737 1.00 32.42 O ATOM 473 CB THR A 30 -10.861 -3.509 -19.533 1.00 14.43 C ATOM 474 OG1 THR A 30 -10.538 -2.437 -20.446 1.00 23.13 O ATOM 475 CG2 THR A 30 -11.305 -2.916 -18.195 1.00 44.30 C ATOM 0 H THR A 30 -7.983 -3.254 -19.683 1.00 65.02 H new ATOM 0 HA THR A 30 -9.905 -5.161 -18.575 1.00 2.41 H new ATOM 0 HB THR A 30 -11.681 -4.104 -19.936 1.00 14.43 H new ATOM 0 HG1 THR A 30 -10.059 -2.800 -21.220 1.00 23.13 H new ATOM 0 HG21 THR A 30 -12.162 -2.262 -18.354 1.00 44.30 H new ATOM 0 HG22 THR A 30 -11.584 -3.721 -17.515 1.00 44.30 H new ATOM 0 HG23 THR A 30 -10.486 -2.342 -17.761 1.00 44.30 H new ATOM 483 N GLU A 31 -8.889 -6.428 -20.498 1.00 74.12 N ATOM 484 CA GLU A 31 -8.497 -7.186 -21.652 1.00 11.01 C ATOM 485 C GLU A 31 -9.379 -8.406 -21.814 1.00 14.05 C ATOM 486 O GLU A 31 -9.174 -9.407 -21.125 1.00 33.44 O ATOM 487 CB GLU A 31 -7.034 -7.641 -21.529 1.00 34.11 C ATOM 488 CG GLU A 31 -6.047 -6.533 -21.162 1.00 55.25 C ATOM 489 CD GLU A 31 -6.127 -5.345 -22.072 1.00 64.24 C ATOM 490 OE1 GLU A 31 -6.007 -5.524 -23.279 1.00 73.02 O ATOM 491 OE2 GLU A 31 -6.270 -4.215 -21.581 1.00 43.30 O ATOM 0 H GLU A 31 -8.779 -6.910 -19.606 1.00 74.12 H new ATOM 0 HA GLU A 31 -8.605 -6.542 -22.525 1.00 11.01 H new ATOM 0 HB2 GLU A 31 -6.974 -8.426 -20.775 1.00 34.11 H new ATOM 0 HB3 GLU A 31 -6.725 -8.084 -22.476 1.00 34.11 H new ATOM 0 HG2 GLU A 31 -6.236 -6.211 -20.138 1.00 55.25 H new ATOM 0 HG3 GLU A 31 -5.034 -6.935 -21.188 1.00 55.25 H new ATOM 498 N GLY A 32 -10.367 -8.310 -22.699 1.00 2.23 N ATOM 499 CA GLY A 32 -11.258 -9.435 -22.983 1.00 11.24 C ATOM 500 C GLY A 32 -11.934 -9.980 -21.744 1.00 71.52 C ATOM 501 O GLY A 32 -11.638 -11.110 -21.316 1.00 73.02 O ATOM 0 H GLY A 32 -10.572 -7.465 -23.233 1.00 2.23 H new ATOM 0 HA2 GLY A 32 -12.019 -9.118 -23.696 1.00 11.24 H new ATOM 0 HA3 GLY A 32 -10.687 -10.232 -23.460 1.00 11.24 H new ATOM 505 N SER A 33 -12.826 -9.186 -21.177 1.00 33.44 N ATOM 506 CA SER A 33 -13.528 -9.521 -19.954 1.00 11.40 C ATOM 507 C SER A 33 -12.551 -9.674 -18.788 1.00 11.23 C ATOM 508 O SER A 33 -12.266 -10.785 -18.321 1.00 22.04 O ATOM 509 CB SER A 33 -14.424 -10.760 -20.129 1.00 43.21 C ATOM 510 OG SER A 33 -15.352 -10.560 -21.191 1.00 64.24 O ATOM 0 H SER A 33 -13.085 -8.277 -21.561 1.00 33.44 H new ATOM 0 HA SER A 33 -14.194 -8.692 -19.714 1.00 11.40 H new ATOM 0 HB2 SER A 33 -13.808 -11.635 -20.337 1.00 43.21 H new ATOM 0 HB3 SER A 33 -14.961 -10.961 -19.202 1.00 43.21 H new ATOM 0 HG SER A 33 -15.913 -11.358 -21.290 1.00 64.24 H new ATOM 516 N LEU A 34 -11.990 -8.560 -18.379 1.00 4.33 N ATOM 517 CA LEU A 34 -11.006 -8.528 -17.332 1.00 31.20 C ATOM 518 C LEU A 34 -10.962 -7.113 -16.795 1.00 61.10 C ATOM 519 O LEU A 34 -10.953 -6.187 -17.556 1.00 21.44 O ATOM 520 CB LEU A 34 -9.621 -8.973 -17.936 1.00 71.42 C ATOM 521 CG LEU A 34 -8.373 -9.164 -17.014 1.00 1.15 C ATOM 522 CD1 LEU A 34 -7.889 -7.873 -16.382 1.00 64.12 C ATOM 523 CD2 LEU A 34 -8.630 -10.221 -15.955 1.00 20.52 C ATOM 0 H LEU A 34 -12.209 -7.644 -18.770 1.00 4.33 H new ATOM 0 HA LEU A 34 -11.247 -9.208 -16.515 1.00 31.20 H new ATOM 0 HB2 LEU A 34 -9.785 -9.918 -18.453 1.00 71.42 H new ATOM 0 HB3 LEU A 34 -9.350 -8.238 -18.694 1.00 71.42 H new ATOM 0 HG LEU A 34 -7.569 -9.508 -17.665 1.00 1.15 H new ATOM 0 HD11 LEU A 34 -7.021 -8.078 -15.755 1.00 64.12 H new ATOM 0 HD12 LEU A 34 -7.613 -7.166 -17.164 1.00 64.12 H new ATOM 0 HD13 LEU A 34 -8.685 -7.446 -15.772 1.00 64.12 H new ATOM 0 HD21 LEU A 34 -7.745 -10.332 -15.329 1.00 20.52 H new ATOM 0 HD22 LEU A 34 -9.476 -9.919 -15.337 1.00 20.52 H new ATOM 0 HD23 LEU A 34 -8.855 -11.172 -16.437 1.00 20.52 H new ATOM 535 N ARG A 35 -10.995 -6.964 -15.504 1.00 53.23 N ATOM 536 CA ARG A 35 -10.832 -5.667 -14.882 1.00 14.01 C ATOM 537 C ARG A 35 -9.690 -5.705 -13.931 1.00 51.41 C ATOM 538 O ARG A 35 -9.748 -6.395 -12.926 1.00 11.21 O ATOM 539 CB ARG A 35 -12.069 -5.222 -14.123 1.00 25.14 C ATOM 540 CG ARG A 35 -13.254 -4.880 -14.966 1.00 4.52 C ATOM 541 CD ARG A 35 -14.356 -4.354 -14.083 1.00 64.41 C ATOM 542 NE ARG A 35 -15.538 -4.001 -14.859 1.00 72.21 N ATOM 543 CZ ARG A 35 -16.612 -3.354 -14.399 1.00 14.13 C ATOM 544 NH1 ARG A 35 -16.707 -3.022 -13.117 1.00 65.35 N ATOM 545 NH2 ARG A 35 -17.600 -3.055 -15.233 1.00 34.00 N ATOM 0 H ARG A 35 -11.135 -7.731 -14.846 1.00 53.23 H new ATOM 0 HA ARG A 35 -10.651 -4.955 -15.687 1.00 14.01 H new ATOM 0 HB2 ARG A 35 -12.354 -6.015 -13.431 1.00 25.14 H new ATOM 0 HB3 ARG A 35 -11.810 -4.351 -13.521 1.00 25.14 H new ATOM 0 HG2 ARG A 35 -12.981 -4.133 -15.711 1.00 4.52 H new ATOM 0 HG3 ARG A 35 -13.596 -5.762 -15.508 1.00 4.52 H new ATOM 0 HD2 ARG A 35 -14.619 -5.107 -13.339 1.00 64.41 H new ATOM 0 HD3 ARG A 35 -14.002 -3.479 -13.539 1.00 64.41 H new ATOM 0 HE ARG A 35 -15.546 -4.273 -15.842 1.00 72.21 H new ATOM 0 HH11 ARG A 35 -15.955 -3.261 -12.471 1.00 65.35 H new ATOM 0 HH12 ARG A 35 -17.532 -2.528 -12.778 1.00 65.35 H new ATOM 0 HH21 ARG A 35 -17.535 -3.319 -16.216 1.00 34.00 H new ATOM 0 HH22 ARG A 35 -18.424 -2.561 -14.891 1.00 34.00 H new ATOM 559 N CYS A 36 -8.659 -5.004 -14.232 1.00 63.14 N ATOM 560 CA CYS A 36 -7.546 -4.968 -13.361 1.00 42.32 C ATOM 561 C CYS A 36 -7.341 -3.561 -12.907 1.00 31.04 C ATOM 562 O CYS A 36 -7.387 -2.649 -13.703 1.00 4.23 O ATOM 563 CB CYS A 36 -6.297 -5.461 -14.034 1.00 12.23 C ATOM 564 SG CYS A 36 -5.142 -6.233 -12.848 1.00 43.21 S ATOM 0 H CYS A 36 -8.564 -4.445 -15.080 1.00 63.14 H new ATOM 0 HA CYS A 36 -7.748 -5.624 -12.514 1.00 42.32 H new ATOM 0 HB2 CYS A 36 -6.562 -6.184 -14.806 1.00 12.23 H new ATOM 0 HB3 CYS A 36 -5.801 -4.629 -14.534 1.00 12.23 H new ATOM 569 N VAL A 37 -7.146 -3.385 -11.648 1.00 0.14 N ATOM 570 CA VAL A 37 -6.962 -2.069 -11.090 1.00 41.31 C ATOM 571 C VAL A 37 -5.601 -1.978 -10.451 1.00 14.41 C ATOM 572 O VAL A 37 -5.267 -2.794 -9.589 1.00 42.41 O ATOM 573 CB VAL A 37 -8.020 -1.779 -10.022 1.00 61.41 C ATOM 574 CG1 VAL A 37 -7.885 -0.369 -9.500 1.00 3.43 C ATOM 575 CG2 VAL A 37 -9.421 -2.060 -10.546 1.00 53.32 C ATOM 0 H VAL A 37 -7.107 -4.142 -10.966 1.00 0.14 H new ATOM 0 HA VAL A 37 -7.055 -1.341 -11.896 1.00 41.31 H new ATOM 0 HB VAL A 37 -7.851 -2.454 -9.183 1.00 61.41 H new ATOM 0 HG11 VAL A 37 -8.647 -0.187 -8.743 1.00 3.43 H new ATOM 0 HG12 VAL A 37 -6.897 -0.237 -9.059 1.00 3.43 H new ATOM 0 HG13 VAL A 37 -8.013 0.337 -10.321 1.00 3.43 H new ATOM 0 HG21 VAL A 37 -10.151 -1.845 -9.766 1.00 53.32 H new ATOM 0 HG22 VAL A 37 -9.619 -1.429 -11.412 1.00 53.32 H new ATOM 0 HG23 VAL A 37 -9.498 -3.108 -10.836 1.00 53.32 H new ATOM 585 N ILE A 38 -4.831 -1.002 -10.862 1.00 75.24 N ATOM 586 CA ILE A 38 -3.492 -0.819 -10.348 1.00 2.11 C ATOM 587 C ILE A 38 -3.386 0.517 -9.616 1.00 51.05 C ATOM 588 O ILE A 38 -3.573 1.562 -10.217 1.00 10.35 O ATOM 589 CB ILE A 38 -2.482 -0.786 -11.517 1.00 14.01 C ATOM 590 CG1 ILE A 38 -2.626 -2.033 -12.379 1.00 12.10 C ATOM 591 CG2 ILE A 38 -1.050 -0.662 -10.991 1.00 4.33 C ATOM 592 CD1 ILE A 38 -1.793 -1.988 -13.625 1.00 24.13 C ATOM 0 H ILE A 38 -5.111 -0.313 -11.560 1.00 75.24 H new ATOM 0 HA ILE A 38 -3.274 -1.644 -9.670 1.00 2.11 H new ATOM 0 HB ILE A 38 -2.698 0.088 -12.132 1.00 14.01 H new ATOM 0 HG12 ILE A 38 -2.344 -2.907 -11.792 1.00 12.10 H new ATOM 0 HG13 ILE A 38 -3.673 -2.158 -12.654 1.00 12.10 H new ATOM 0 HG21 ILE A 38 -0.355 -0.641 -11.830 1.00 4.33 H new ATOM 0 HG22 ILE A 38 -0.952 0.258 -10.415 1.00 4.33 H new ATOM 0 HG23 ILE A 38 -0.822 -1.515 -10.352 1.00 4.33 H new ATOM 0 HD11 ILE A 38 -1.941 -2.905 -14.195 1.00 24.13 H new ATOM 0 HD12 ILE A 38 -2.091 -1.132 -14.231 1.00 24.13 H new ATOM 0 HD13 ILE A 38 -0.741 -1.893 -13.356 1.00 24.13 H new ATOM 604 N PHE A 39 -3.094 0.458 -8.340 1.00 14.12 N ATOM 605 CA PHE A 39 -2.841 1.633 -7.516 1.00 51.10 C ATOM 606 C PHE A 39 -1.359 1.800 -7.389 1.00 13.40 C ATOM 607 O PHE A 39 -0.705 0.966 -6.768 1.00 1.24 O ATOM 608 CB PHE A 39 -3.391 1.461 -6.081 1.00 74.03 C ATOM 609 CG PHE A 39 -4.880 1.437 -5.917 1.00 2.42 C ATOM 610 CD1 PHE A 39 -5.625 0.328 -6.273 1.00 15.53 C ATOM 611 CD2 PHE A 39 -5.537 2.541 -5.393 1.00 64.22 C ATOM 612 CE1 PHE A 39 -6.999 0.325 -6.107 1.00 65.45 C ATOM 613 CE2 PHE A 39 -6.906 2.543 -5.226 1.00 24.25 C ATOM 614 CZ PHE A 39 -7.640 1.434 -5.585 1.00 24.00 C ATOM 0 H PHE A 39 -3.022 -0.421 -7.827 1.00 14.12 H new ATOM 0 HA PHE A 39 -3.328 2.485 -7.989 1.00 51.10 H new ATOM 0 HB2 PHE A 39 -2.991 0.532 -5.675 1.00 74.03 H new ATOM 0 HB3 PHE A 39 -2.997 2.272 -5.469 1.00 74.03 H new ATOM 0 HD1 PHE A 39 -5.132 -0.541 -6.683 1.00 15.53 H new ATOM 0 HD2 PHE A 39 -4.967 3.414 -5.111 1.00 64.22 H new ATOM 0 HE1 PHE A 39 -7.573 -0.546 -6.386 1.00 65.45 H new ATOM 0 HE2 PHE A 39 -7.401 3.411 -4.815 1.00 24.25 H new ATOM 0 HZ PHE A 39 -8.713 1.430 -5.459 1.00 24.00 H new ATOM 624 N ILE A 40 -0.807 2.821 -7.974 1.00 62.43 N ATOM 625 CA ILE A 40 0.615 3.038 -7.809 1.00 13.21 C ATOM 626 C ILE A 40 0.736 4.044 -6.707 1.00 33.03 C ATOM 627 O ILE A 40 0.246 5.177 -6.846 1.00 21.21 O ATOM 628 CB ILE A 40 1.263 3.658 -9.055 1.00 43.54 C ATOM 629 CG1 ILE A 40 0.558 3.192 -10.313 1.00 61.15 C ATOM 630 CG2 ILE A 40 2.759 3.357 -9.108 1.00 4.41 C ATOM 631 CD1 ILE A 40 1.160 3.705 -11.588 1.00 64.32 C ATOM 0 H ILE A 40 -1.294 3.503 -8.555 1.00 62.43 H new ATOM 0 HA ILE A 40 1.108 2.086 -7.614 1.00 13.21 H new ATOM 0 HB ILE A 40 1.153 4.741 -8.992 1.00 43.54 H new ATOM 0 HG12 ILE A 40 0.564 2.102 -10.336 1.00 61.15 H new ATOM 0 HG13 ILE A 40 -0.485 3.504 -10.267 1.00 61.15 H new ATOM 0 HG21 ILE A 40 3.190 3.809 -10.001 1.00 4.41 H new ATOM 0 HG22 ILE A 40 3.244 3.768 -8.223 1.00 4.41 H new ATOM 0 HG23 ILE A 40 2.912 2.278 -9.137 1.00 4.41 H new ATOM 0 HD11 ILE A 40 0.594 3.323 -12.437 1.00 64.32 H new ATOM 0 HD12 ILE A 40 1.129 4.795 -11.592 1.00 64.32 H new ATOM 0 HD13 ILE A 40 2.195 3.371 -11.662 1.00 64.32 H new ATOM 643 N THR A 41 1.343 3.682 -5.643 1.00 51.25 N ATOM 644 CA THR A 41 1.422 4.569 -4.539 1.00 73.12 C ATOM 645 C THR A 41 2.840 4.992 -4.317 1.00 12.43 C ATOM 646 O THR A 41 3.753 4.466 -4.952 1.00 42.23 O ATOM 647 CB THR A 41 0.856 3.939 -3.245 1.00 71.24 C ATOM 648 OG1 THR A 41 1.675 2.832 -2.841 1.00 3.53 O ATOM 649 CG2 THR A 41 -0.541 3.421 -3.481 1.00 13.32 C ATOM 0 H THR A 41 1.795 2.777 -5.508 1.00 51.25 H new ATOM 0 HA THR A 41 0.812 5.440 -4.779 1.00 73.12 H new ATOM 0 HB THR A 41 0.844 4.707 -2.472 1.00 71.24 H new ATOM 0 HG1 THR A 41 2.021 2.374 -3.635 1.00 3.53 H new ATOM 0 HG21 THR A 41 -0.926 2.981 -2.561 1.00 13.32 H new ATOM 0 HG22 THR A 41 -1.187 4.244 -3.788 1.00 13.32 H new ATOM 0 HG23 THR A 41 -0.521 2.664 -4.265 1.00 13.32 H new ATOM 657 N LYS A 42 3.017 5.936 -3.410 1.00 21.13 N ATOM 658 CA LYS A 42 4.331 6.428 -3.036 1.00 0.41 C ATOM 659 C LYS A 42 5.304 5.322 -2.593 1.00 61.21 C ATOM 660 O LYS A 42 6.509 5.493 -2.684 1.00 11.03 O ATOM 661 CB LYS A 42 4.238 7.641 -2.068 1.00 14.43 C ATOM 662 CG LYS A 42 3.133 7.553 -0.997 1.00 75.13 C ATOM 663 CD LYS A 42 3.297 6.396 -0.029 1.00 71.32 C ATOM 664 CE LYS A 42 4.509 6.570 0.870 1.00 53.05 C ATOM 665 NZ LYS A 42 4.599 5.494 1.876 1.00 71.41 N ATOM 0 H LYS A 42 2.250 6.385 -2.910 1.00 21.13 H new ATOM 0 HA LYS A 42 4.793 6.814 -3.945 1.00 0.41 H new ATOM 0 HB2 LYS A 42 5.198 7.757 -1.565 1.00 14.43 H new ATOM 0 HB3 LYS A 42 4.076 8.543 -2.658 1.00 14.43 H new ATOM 0 HG2 LYS A 42 3.115 8.485 -0.432 1.00 75.13 H new ATOM 0 HG3 LYS A 42 2.167 7.462 -1.494 1.00 75.13 H new ATOM 0 HD2 LYS A 42 2.401 6.308 0.585 1.00 71.32 H new ATOM 0 HD3 LYS A 42 3.392 5.466 -0.589 1.00 71.32 H new ATOM 0 HE2 LYS A 42 5.414 6.578 0.263 1.00 53.05 H new ATOM 0 HE3 LYS A 42 4.454 7.535 1.373 1.00 53.05 H new ATOM 0 HZ1 LYS A 42 5.538 5.514 2.323 1.00 71.41 H new ATOM 0 HZ2 LYS A 42 3.867 5.635 2.601 1.00 71.41 H new ATOM 0 HZ3 LYS A 42 4.456 4.574 1.414 1.00 71.41 H new ATOM 679 N ARG A 43 4.774 4.201 -2.107 1.00 11.22 N ATOM 680 CA ARG A 43 5.585 3.028 -1.855 1.00 23.23 C ATOM 681 C ARG A 43 4.882 1.745 -2.202 1.00 41.04 C ATOM 682 O ARG A 43 4.455 1.007 -1.316 1.00 11.04 O ATOM 683 CB ARG A 43 6.191 2.907 -0.457 1.00 1.34 C ATOM 684 CG ARG A 43 7.242 3.921 -0.118 1.00 4.24 C ATOM 685 CD ARG A 43 8.090 3.416 1.022 1.00 63.23 C ATOM 686 NE ARG A 43 8.789 2.172 0.642 1.00 62.15 N ATOM 687 CZ ARG A 43 9.261 1.240 1.486 1.00 24.14 C ATOM 688 NH1 ARG A 43 9.190 1.421 2.795 1.00 41.43 N ATOM 689 NH2 ARG A 43 9.814 0.134 1.001 1.00 2.32 N ATOM 0 H ARG A 43 3.786 4.088 -1.882 1.00 11.22 H new ATOM 0 HA ARG A 43 6.423 3.191 -2.532 1.00 23.23 H new ATOM 0 HB2 ARG A 43 5.388 2.983 0.276 1.00 1.34 H new ATOM 0 HB3 ARG A 43 6.624 1.912 -0.353 1.00 1.34 H new ATOM 0 HG2 ARG A 43 7.867 4.116 -0.990 1.00 4.24 H new ATOM 0 HG3 ARG A 43 6.773 4.866 0.156 1.00 4.24 H new ATOM 0 HD2 ARG A 43 8.818 4.176 1.305 1.00 63.23 H new ATOM 0 HD3 ARG A 43 7.463 3.235 1.895 1.00 63.23 H new ATOM 0 HE ARG A 43 8.926 2.005 -0.355 1.00 62.15 H new ATOM 0 HH11 ARG A 43 8.774 2.274 3.170 1.00 41.43 H new ATOM 0 HH12 ARG A 43 9.551 0.708 3.429 1.00 41.43 H new ATOM 0 HH21 ARG A 43 9.878 -0.004 -0.008 1.00 2.32 H new ATOM 0 HH22 ARG A 43 10.174 -0.577 1.637 1.00 2.32 H new ATOM 703 N GLY A 44 4.656 1.521 -3.458 1.00 10.33 N ATOM 704 CA GLY A 44 4.197 0.230 -3.856 1.00 71.02 C ATOM 705 C GLY A 44 3.038 0.272 -4.772 1.00 21.41 C ATOM 706 O GLY A 44 2.397 1.305 -4.933 1.00 44.43 O ATOM 0 H GLY A 44 4.778 2.199 -4.210 1.00 10.33 H new ATOM 0 HA2 GLY A 44 5.014 -0.304 -4.341 1.00 71.02 H new ATOM 0 HA3 GLY A 44 3.927 -0.341 -2.967 1.00 71.02 H new ATOM 710 N LEU A 45 2.774 -0.836 -5.377 1.00 41.43 N ATOM 711 CA LEU A 45 1.669 -0.964 -6.285 1.00 73.51 C ATOM 712 C LEU A 45 0.718 -2.008 -5.805 1.00 53.11 C ATOM 713 O LEU A 45 1.122 -3.088 -5.381 1.00 55.21 O ATOM 714 CB LEU A 45 2.097 -1.285 -7.728 1.00 41.24 C ATOM 715 CG LEU A 45 2.916 -0.231 -8.474 1.00 40.42 C ATOM 716 CD1 LEU A 45 4.346 -0.125 -7.956 1.00 4.24 C ATOM 717 CD2 LEU A 45 2.884 -0.489 -9.956 1.00 41.12 C ATOM 0 H LEU A 45 3.320 -1.690 -5.259 1.00 41.43 H new ATOM 0 HA LEU A 45 1.181 0.011 -6.305 1.00 73.51 H new ATOM 0 HB2 LEU A 45 2.675 -2.209 -7.709 1.00 41.24 H new ATOM 0 HB3 LEU A 45 1.197 -1.484 -8.309 1.00 41.24 H new ATOM 0 HG LEU A 45 2.450 0.736 -8.282 1.00 40.42 H new ATOM 0 HD11 LEU A 45 4.882 0.638 -8.521 1.00 4.24 H new ATOM 0 HD12 LEU A 45 4.331 0.148 -6.901 1.00 4.24 H new ATOM 0 HD13 LEU A 45 4.848 -1.085 -8.075 1.00 4.24 H new ATOM 0 HD21 LEU A 45 3.472 0.271 -10.470 1.00 41.12 H new ATOM 0 HD22 LEU A 45 3.303 -1.474 -10.163 1.00 41.12 H new ATOM 0 HD23 LEU A 45 1.854 -0.451 -10.310 1.00 41.12 H new ATOM 729 N LYS A 46 -0.523 -1.692 -5.858 1.00 12.22 N ATOM 730 CA LYS A 46 -1.551 -2.596 -5.456 1.00 43.55 C ATOM 731 C LYS A 46 -2.383 -2.882 -6.685 1.00 43.43 C ATOM 732 O LYS A 46 -2.960 -1.980 -7.270 1.00 74.05 O ATOM 733 CB LYS A 46 -2.350 -1.940 -4.303 1.00 31.52 C ATOM 734 CG LYS A 46 -3.373 -2.807 -3.556 1.00 74.54 C ATOM 735 CD LYS A 46 -4.829 -2.567 -3.973 1.00 71.02 C ATOM 736 CE LYS A 46 -5.202 -3.152 -5.315 1.00 61.20 C ATOM 737 NZ LYS A 46 -6.625 -2.925 -5.610 1.00 3.13 N ATOM 0 H LYS A 46 -0.864 -0.788 -6.185 1.00 12.22 H new ATOM 0 HA LYS A 46 -1.173 -3.544 -5.073 1.00 43.55 H new ATOM 0 HB2 LYS A 46 -1.635 -1.562 -3.573 1.00 31.52 H new ATOM 0 HB3 LYS A 46 -2.876 -1.076 -4.710 1.00 31.52 H new ATOM 0 HG2 LYS A 46 -3.129 -3.857 -3.719 1.00 74.54 H new ATOM 0 HG3 LYS A 46 -3.278 -2.620 -2.486 1.00 74.54 H new ATOM 0 HD2 LYS A 46 -5.486 -2.989 -3.212 1.00 71.02 H new ATOM 0 HD3 LYS A 46 -5.015 -1.493 -3.995 1.00 71.02 H new ATOM 0 HE2 LYS A 46 -4.589 -2.702 -6.095 1.00 61.20 H new ATOM 0 HE3 LYS A 46 -4.991 -4.221 -5.321 1.00 61.20 H new ATOM 0 HZ1 LYS A 46 -6.838 -3.260 -6.571 1.00 3.13 H new ATOM 0 HZ2 LYS A 46 -7.209 -3.446 -4.925 1.00 3.13 H new ATOM 0 HZ3 LYS A 46 -6.836 -1.909 -5.543 1.00 3.13 H new ATOM 751 N VAL A 47 -2.456 -4.119 -7.062 1.00 44.02 N ATOM 752 CA VAL A 47 -3.090 -4.506 -8.304 1.00 11.12 C ATOM 753 C VAL A 47 -4.133 -5.614 -8.096 1.00 45.00 C ATOM 754 O VAL A 47 -3.924 -6.543 -7.320 1.00 11.03 O ATOM 755 CB VAL A 47 -2.027 -4.925 -9.360 1.00 2.13 C ATOM 756 CG1 VAL A 47 -1.181 -6.089 -8.865 1.00 10.12 C ATOM 757 CG2 VAL A 47 -2.675 -5.263 -10.680 1.00 30.24 C ATOM 0 H VAL A 47 -2.080 -4.899 -6.523 1.00 44.02 H new ATOM 0 HA VAL A 47 -3.623 -3.634 -8.684 1.00 11.12 H new ATOM 0 HB VAL A 47 -1.367 -4.071 -9.513 1.00 2.13 H new ATOM 0 HG11 VAL A 47 -0.449 -6.356 -9.627 1.00 10.12 H new ATOM 0 HG12 VAL A 47 -0.664 -5.800 -7.950 1.00 10.12 H new ATOM 0 HG13 VAL A 47 -1.824 -6.946 -8.663 1.00 10.12 H new ATOM 0 HG21 VAL A 47 -1.908 -5.552 -11.398 1.00 30.24 H new ATOM 0 HG22 VAL A 47 -3.373 -6.089 -10.542 1.00 30.24 H new ATOM 0 HG23 VAL A 47 -3.213 -4.392 -11.055 1.00 30.24 H new ATOM 767 N CYS A 48 -5.268 -5.484 -8.738 1.00 51.32 N ATOM 768 CA CYS A 48 -6.298 -6.482 -8.611 1.00 62.45 C ATOM 769 C CYS A 48 -6.940 -6.767 -9.956 1.00 44.34 C ATOM 770 O CYS A 48 -7.600 -5.894 -10.517 1.00 71.45 O ATOM 771 CB CYS A 48 -7.378 -6.017 -7.642 1.00 62.10 C ATOM 772 SG CYS A 48 -8.564 -7.334 -7.216 1.00 33.14 S ATOM 0 H CYS A 48 -5.500 -4.702 -9.350 1.00 51.32 H new ATOM 0 HA CYS A 48 -5.831 -7.391 -8.231 1.00 62.45 H new ATOM 0 HB2 CYS A 48 -6.907 -5.650 -6.730 1.00 62.10 H new ATOM 0 HB3 CYS A 48 -7.917 -5.178 -8.082 1.00 62.10 H new ATOM 777 N CYS A 49 -6.743 -7.966 -10.476 1.00 73.44 N ATOM 778 CA CYS A 49 -7.376 -8.358 -11.733 1.00 74.35 C ATOM 779 C CYS A 49 -8.598 -9.253 -11.475 1.00 64.44 C ATOM 780 O CYS A 49 -8.546 -10.178 -10.657 1.00 42.32 O ATOM 781 CB CYS A 49 -6.402 -9.105 -12.684 1.00 4.15 C ATOM 782 SG CYS A 49 -4.987 -8.170 -13.423 1.00 13.12 S ATOM 0 H CYS A 49 -6.154 -8.684 -10.054 1.00 73.44 H new ATOM 0 HA CYS A 49 -7.685 -7.432 -12.217 1.00 74.35 H new ATOM 0 HB2 CYS A 49 -5.988 -9.951 -12.135 1.00 4.15 H new ATOM 0 HB3 CYS A 49 -6.991 -9.515 -13.504 1.00 4.15 H new ATOM 787 N ASP A 50 -9.689 -8.952 -12.158 1.00 3.34 N ATOM 788 CA ASP A 50 -10.905 -9.759 -12.125 1.00 40.50 C ATOM 789 C ASP A 50 -11.354 -10.042 -13.542 1.00 62.31 C ATOM 790 O ASP A 50 -11.732 -9.135 -14.251 1.00 42.34 O ATOM 791 CB ASP A 50 -12.053 -9.053 -11.387 1.00 70.22 C ATOM 792 CG ASP A 50 -13.334 -9.895 -11.392 1.00 21.32 C ATOM 793 OD1 ASP A 50 -13.350 -10.988 -10.807 1.00 63.32 O ATOM 794 OD2 ASP A 50 -14.329 -9.483 -12.011 1.00 13.21 O ATOM 0 H ASP A 50 -9.760 -8.131 -12.759 1.00 3.34 H new ATOM 0 HA ASP A 50 -10.670 -10.680 -11.591 1.00 40.50 H new ATOM 0 HB2 ASP A 50 -11.754 -8.851 -10.358 1.00 70.22 H new ATOM 0 HB3 ASP A 50 -12.249 -8.089 -11.857 1.00 70.22 H new ATOM 799 N PRO A 51 -11.320 -11.294 -13.971 1.00 3.21 N ATOM 800 CA PRO A 51 -11.735 -11.707 -15.334 1.00 52.44 C ATOM 801 C PRO A 51 -13.262 -11.752 -15.472 1.00 64.53 C ATOM 802 O PRO A 51 -13.809 -12.617 -16.181 1.00 14.51 O ATOM 803 CB PRO A 51 -11.163 -13.122 -15.429 1.00 42.13 C ATOM 804 CG PRO A 51 -11.179 -13.614 -14.034 1.00 10.41 C ATOM 805 CD PRO A 51 -10.877 -12.428 -13.173 1.00 61.13 C ATOM 0 HA PRO A 51 -11.389 -11.023 -16.109 1.00 52.44 H new ATOM 0 HB2 PRO A 51 -11.767 -13.753 -16.081 1.00 42.13 H new ATOM 0 HB3 PRO A 51 -10.153 -13.117 -15.838 1.00 42.13 H new ATOM 0 HG2 PRO A 51 -12.150 -14.041 -13.782 1.00 10.41 H new ATOM 0 HG3 PRO A 51 -10.438 -14.400 -13.889 1.00 10.41 H new ATOM 0 HD2 PRO A 51 -11.408 -12.479 -12.222 1.00 61.13 H new ATOM 0 HD3 PRO A 51 -9.814 -12.363 -12.942 1.00 61.13 H new ATOM 1207 N THR B 210 14.660 -2.967 -10.337 1.00 13.23 N ATOM 1208 CA THR B 210 13.803 -3.698 -9.458 1.00 0.40 C ATOM 1209 C THR B 210 12.437 -3.934 -10.083 1.00 33.34 C ATOM 1210 O THR B 210 11.700 -2.991 -10.368 1.00 64.52 O ATOM 1211 CB THR B 210 13.649 -2.964 -8.109 1.00 73.01 C ATOM 1212 OG1 THR B 210 14.951 -2.730 -7.543 1.00 55.22 O ATOM 1213 CG2 THR B 210 12.838 -3.800 -7.133 1.00 14.22 C ATOM 0 HA THR B 210 14.267 -4.668 -9.281 1.00 0.40 H new ATOM 0 HB THR B 210 13.134 -2.020 -8.286 1.00 73.01 H new ATOM 0 HG1 THR B 210 15.618 -2.698 -8.260 1.00 55.22 H new ATOM 0 HG21 THR B 210 12.741 -3.265 -6.188 1.00 14.22 H new ATOM 0 HG22 THR B 210 11.847 -3.985 -7.548 1.00 14.22 H new ATOM 0 HG23 THR B 210 13.343 -4.751 -6.961 1.00 14.22 H new ATOM 1221 N CYS B 211 12.106 -5.179 -10.291 1.00 0.25 N ATOM 1222 CA CYS B 211 10.814 -5.528 -10.799 1.00 12.42 C ATOM 1223 C CYS B 211 10.171 -6.427 -9.771 1.00 44.12 C ATOM 1224 O CYS B 211 10.862 -7.212 -9.107 1.00 13.44 O ATOM 1225 CB CYS B 211 10.929 -6.285 -12.141 1.00 63.43 C ATOM 1226 SG CYS B 211 11.952 -5.462 -13.438 1.00 75.14 S ATOM 0 H CYS B 211 12.721 -5.973 -10.114 1.00 0.25 H new ATOM 0 HA CYS B 211 10.225 -4.628 -10.978 1.00 12.42 H new ATOM 0 HB2 CYS B 211 11.348 -7.272 -11.946 1.00 63.43 H new ATOM 0 HB3 CYS B 211 9.926 -6.438 -12.538 1.00 63.43 H new ATOM 1231 N VAL B 212 8.893 -6.320 -9.613 1.00 14.41 N ATOM 1232 CA VAL B 212 8.186 -7.130 -8.663 1.00 21.02 C ATOM 1233 C VAL B 212 7.096 -7.927 -9.377 1.00 43.33 C ATOM 1234 O VAL B 212 6.370 -7.393 -10.221 1.00 23.14 O ATOM 1235 CB VAL B 212 7.625 -6.284 -7.462 1.00 51.40 C ATOM 1236 CG1 VAL B 212 8.773 -5.716 -6.635 1.00 4.13 C ATOM 1237 CG2 VAL B 212 6.732 -5.140 -7.947 1.00 0.40 C ATOM 0 H VAL B 212 8.305 -5.671 -10.136 1.00 14.41 H new ATOM 0 HA VAL B 212 8.888 -7.836 -8.218 1.00 21.02 H new ATOM 0 HB VAL B 212 7.022 -6.951 -6.845 1.00 51.40 H new ATOM 0 HG11 VAL B 212 8.371 -5.132 -5.807 1.00 4.13 H new ATOM 0 HG12 VAL B 212 9.378 -6.533 -6.243 1.00 4.13 H new ATOM 0 HG13 VAL B 212 9.392 -5.075 -7.263 1.00 4.13 H new ATOM 0 HG21 VAL B 212 6.363 -4.578 -7.089 1.00 0.40 H new ATOM 0 HG22 VAL B 212 7.308 -4.478 -8.594 1.00 0.40 H new ATOM 0 HG23 VAL B 212 5.888 -5.548 -8.504 1.00 0.40 H new ATOM 1247 N SER B 213 7.004 -9.198 -9.085 1.00 54.14 N ATOM 1248 CA SER B 213 6.073 -10.038 -9.787 1.00 41.00 C ATOM 1249 C SER B 213 5.310 -10.996 -8.873 1.00 41.31 C ATOM 1250 O SER B 213 5.900 -11.811 -8.148 1.00 55.42 O ATOM 1251 CB SER B 213 6.809 -10.799 -10.900 1.00 10.21 C ATOM 1252 OG SER B 213 7.937 -11.502 -10.392 1.00 63.30 O ATOM 0 H SER B 213 7.558 -9.670 -8.371 1.00 54.14 H new ATOM 0 HA SER B 213 5.315 -9.388 -10.224 1.00 41.00 H new ATOM 0 HB2 SER B 213 6.125 -11.502 -11.376 1.00 10.21 H new ATOM 0 HB3 SER B 213 7.132 -10.098 -11.670 1.00 10.21 H new ATOM 0 HG SER B 213 7.711 -11.900 -9.525 1.00 63.30 H new ATOM 1258 N LEU B 214 4.005 -10.899 -8.907 1.00 3.15 N ATOM 1259 CA LEU B 214 3.166 -11.816 -8.159 1.00 73.33 C ATOM 1260 C LEU B 214 2.341 -12.671 -9.048 1.00 11.25 C ATOM 1261 O LEU B 214 1.687 -12.196 -9.977 1.00 33.12 O ATOM 1262 CB LEU B 214 2.305 -11.163 -7.082 1.00 64.24 C ATOM 1263 CG LEU B 214 3.037 -10.705 -5.826 1.00 65.33 C ATOM 1264 CD1 LEU B 214 2.081 -10.068 -4.845 1.00 51.01 C ATOM 1265 CD2 LEU B 214 3.767 -11.865 -5.165 1.00 25.32 C ATOM 0 H LEU B 214 3.496 -10.196 -9.443 1.00 3.15 H new ATOM 0 HA LEU B 214 3.875 -12.449 -7.625 1.00 73.33 H new ATOM 0 HB2 LEU B 214 1.803 -10.301 -7.520 1.00 64.24 H new ATOM 0 HB3 LEU B 214 1.528 -11.869 -6.788 1.00 64.24 H new ATOM 0 HG LEU B 214 3.773 -9.960 -6.128 1.00 65.33 H new ATOM 0 HD11 LEU B 214 2.628 -9.750 -3.958 1.00 51.01 H new ATOM 0 HD12 LEU B 214 1.607 -9.203 -5.308 1.00 51.01 H new ATOM 0 HD13 LEU B 214 1.317 -10.791 -4.560 1.00 51.01 H new ATOM 0 HD21 LEU B 214 4.281 -11.510 -4.272 1.00 25.32 H new ATOM 0 HD22 LEU B 214 3.049 -12.637 -4.888 1.00 25.32 H new ATOM 0 HD23 LEU B 214 4.496 -12.281 -5.861 1.00 25.32 H new ATOM 1277 N THR B 215 2.369 -13.921 -8.759 1.00 52.33 N ATOM 1278 CA THR B 215 1.650 -14.886 -9.497 1.00 72.12 C ATOM 1279 C THR B 215 0.319 -15.118 -8.788 1.00 74.40 C ATOM 1280 O THR B 215 0.294 -15.464 -7.607 1.00 23.33 O ATOM 1281 CB THR B 215 2.478 -16.178 -9.576 1.00 41.13 C ATOM 1282 OG1 THR B 215 3.826 -15.828 -9.994 1.00 60.32 O ATOM 1283 CG2 THR B 215 1.887 -17.105 -10.608 1.00 63.44 C ATOM 0 H THR B 215 2.907 -14.308 -7.983 1.00 52.33 H new ATOM 0 HA THR B 215 1.459 -14.549 -10.516 1.00 72.12 H new ATOM 0 HB THR B 215 2.482 -16.671 -8.604 1.00 41.13 H new ATOM 0 HG1 THR B 215 4.372 -16.640 -10.049 1.00 60.32 H new ATOM 0 HG21 THR B 215 2.479 -18.019 -10.658 1.00 63.44 H new ATOM 0 HG22 THR B 215 0.862 -17.352 -10.331 1.00 63.44 H new ATOM 0 HG23 THR B 215 1.892 -16.616 -11.582 1.00 63.44 H new ATOM 1291 N THR B 216 -0.760 -14.890 -9.480 1.00 23.32 N ATOM 1292 CA THR B 216 -2.064 -14.949 -8.899 1.00 61.12 C ATOM 1293 C THR B 216 -3.091 -15.423 -9.924 1.00 74.55 C ATOM 1294 O THR B 216 -3.033 -15.021 -11.086 1.00 11.02 O ATOM 1295 CB THR B 216 -2.468 -13.545 -8.317 1.00 4.22 C ATOM 1296 OG1 THR B 216 -3.790 -13.577 -7.761 1.00 33.21 O ATOM 1297 CG2 THR B 216 -2.386 -12.441 -9.375 1.00 4.00 C ATOM 0 H THR B 216 -0.756 -14.656 -10.473 1.00 23.32 H new ATOM 0 HA THR B 216 -2.044 -15.669 -8.081 1.00 61.12 H new ATOM 0 HB THR B 216 -1.752 -13.317 -7.528 1.00 4.22 H new ATOM 0 HG1 THR B 216 -3.764 -13.255 -6.836 1.00 33.21 H new ATOM 0 HG21 THR B 216 -2.673 -11.488 -8.930 1.00 4.00 H new ATOM 0 HG22 THR B 216 -1.365 -12.373 -9.751 1.00 4.00 H new ATOM 0 HG23 THR B 216 -3.061 -12.675 -10.198 1.00 4.00 H new ATOM 1305 N GLN B 217 -4.005 -16.294 -9.475 1.00 25.25 N ATOM 1306 CA GLN B 217 -5.123 -16.801 -10.278 1.00 0.11 C ATOM 1307 C GLN B 217 -4.653 -17.892 -11.284 1.00 14.03 C ATOM 1308 O GLN B 217 -3.449 -18.075 -11.519 1.00 72.20 O ATOM 1309 CB GLN B 217 -5.889 -15.614 -10.933 1.00 22.33 C ATOM 1310 CG GLN B 217 -7.193 -15.945 -11.614 1.00 30.42 C ATOM 1311 CD GLN B 217 -7.917 -14.699 -12.062 1.00 23.23 C ATOM 1312 OE1 GLN B 217 -7.744 -14.223 -13.168 1.00 3.14 O ATOM 1313 NE2 GLN B 217 -8.736 -14.166 -11.193 1.00 31.34 N ATOM 0 H GLN B 217 -3.987 -16.672 -8.528 1.00 25.25 H new ATOM 0 HA GLN B 217 -5.837 -17.309 -9.630 1.00 0.11 H new ATOM 0 HB2 GLN B 217 -6.087 -14.869 -10.162 1.00 22.33 H new ATOM 0 HB3 GLN B 217 -5.231 -15.147 -11.666 1.00 22.33 H new ATOM 0 HG2 GLN B 217 -7.002 -16.585 -12.475 1.00 30.42 H new ATOM 0 HG3 GLN B 217 -7.828 -16.510 -10.931 1.00 30.42 H new ATOM 0 HE21 GLN B 217 -8.855 -14.594 -10.275 1.00 31.34 H new ATOM 0 HE22 GLN B 217 -9.256 -13.322 -11.433 1.00 31.34 H new ATOM 1322 N ARG B 218 -5.593 -18.652 -11.815 1.00 11.22 N ATOM 1323 CA ARG B 218 -5.267 -19.729 -12.747 1.00 44.13 C ATOM 1324 C ARG B 218 -6.076 -19.612 -14.031 1.00 1.32 C ATOM 1325 O ARG B 218 -6.116 -20.537 -14.844 1.00 23.14 O ATOM 1326 CB ARG B 218 -5.470 -21.106 -12.083 1.00 53.15 C ATOM 1327 CG ARG B 218 -6.871 -21.356 -11.528 1.00 64.51 C ATOM 1328 CD ARG B 218 -6.967 -22.734 -10.885 1.00 62.24 C ATOM 1329 NE ARG B 218 -8.284 -22.982 -10.271 1.00 41.31 N ATOM 1330 CZ ARG B 218 -8.645 -24.132 -9.673 1.00 5.54 C ATOM 1331 NH1 ARG B 218 -7.810 -25.161 -9.651 1.00 53.00 N ATOM 1332 NH2 ARG B 218 -9.844 -24.249 -9.105 1.00 24.22 N ATOM 0 H ARG B 218 -6.589 -18.548 -11.621 1.00 11.22 H new ATOM 0 HA ARG B 218 -4.214 -19.635 -13.014 1.00 44.13 H new ATOM 0 HB2 ARG B 218 -5.241 -21.882 -12.814 1.00 53.15 H new ATOM 0 HB3 ARG B 218 -4.750 -21.211 -11.271 1.00 53.15 H new ATOM 0 HG2 ARG B 218 -7.116 -20.590 -10.792 1.00 64.51 H new ATOM 0 HG3 ARG B 218 -7.604 -21.274 -12.331 1.00 64.51 H new ATOM 0 HD2 ARG B 218 -6.772 -23.497 -11.639 1.00 62.24 H new ATOM 0 HD3 ARG B 218 -6.192 -22.831 -10.125 1.00 62.24 H new ATOM 0 HE ARG B 218 -8.970 -22.228 -10.302 1.00 41.31 H new ATOM 0 HH11 ARG B 218 -6.892 -25.082 -10.088 1.00 53.00 H new ATOM 0 HH12 ARG B 218 -8.086 -26.032 -9.197 1.00 53.00 H new ATOM 0 HH21 ARG B 218 -10.495 -23.464 -9.122 1.00 24.22 H new ATOM 0 HH22 ARG B 218 -10.111 -25.124 -8.653 1.00 24.22 H new ATOM 1346 N LEU B 219 -6.665 -18.462 -14.230 1.00 65.35 N ATOM 1347 CA LEU B 219 -7.502 -18.225 -15.384 1.00 74.12 C ATOM 1348 C LEU B 219 -6.698 -17.508 -16.461 1.00 20.45 C ATOM 1349 O LEU B 219 -6.039 -16.520 -16.183 1.00 51.02 O ATOM 1350 CB LEU B 219 -8.747 -17.419 -14.985 1.00 51.22 C ATOM 1351 CG LEU B 219 -9.652 -18.082 -13.931 1.00 2.31 C ATOM 1352 CD1 LEU B 219 -10.838 -17.200 -13.596 1.00 72.14 C ATOM 1353 CD2 LEU B 219 -10.122 -19.451 -14.396 1.00 61.31 C ATOM 0 H LEU B 219 -6.581 -17.664 -13.601 1.00 65.35 H new ATOM 0 HA LEU B 219 -7.842 -19.179 -15.787 1.00 74.12 H new ATOM 0 HB2 LEU B 219 -8.425 -16.449 -14.605 1.00 51.22 H new ATOM 0 HB3 LEU B 219 -9.339 -17.230 -15.880 1.00 51.22 H new ATOM 0 HG LEU B 219 -9.059 -18.214 -13.026 1.00 2.31 H new ATOM 0 HD11 LEU B 219 -11.459 -17.694 -12.849 1.00 72.14 H new ATOM 0 HD12 LEU B 219 -10.483 -16.248 -13.201 1.00 72.14 H new ATOM 0 HD13 LEU B 219 -11.425 -17.023 -14.497 1.00 72.14 H new ATOM 0 HD21 LEU B 219 -10.759 -19.896 -13.632 1.00 61.31 H new ATOM 0 HD22 LEU B 219 -10.686 -19.347 -15.323 1.00 61.31 H new ATOM 0 HD23 LEU B 219 -9.258 -20.093 -14.567 1.00 61.31 H new ATOM 1365 N PRO B 220 -6.737 -18.015 -17.704 1.00 70.44 N ATOM 1366 CA PRO B 220 -5.953 -17.462 -18.813 1.00 2.13 C ATOM 1367 C PRO B 220 -6.356 -16.035 -19.194 1.00 42.35 C ATOM 1368 O PRO B 220 -7.550 -15.678 -19.194 1.00 24.45 O ATOM 1369 CB PRO B 220 -6.242 -18.421 -19.971 1.00 42.14 C ATOM 1370 CG PRO B 220 -7.544 -19.051 -19.625 1.00 1.25 C ATOM 1371 CD PRO B 220 -7.553 -19.168 -18.133 1.00 32.32 C ATOM 0 HA PRO B 220 -4.899 -17.386 -18.547 1.00 2.13 H new ATOM 0 HB2 PRO B 220 -6.300 -17.889 -20.921 1.00 42.14 H new ATOM 0 HB3 PRO B 220 -5.455 -19.168 -20.072 1.00 42.14 H new ATOM 0 HG2 PRO B 220 -8.378 -18.443 -19.975 1.00 1.25 H new ATOM 0 HG3 PRO B 220 -7.643 -20.029 -20.095 1.00 1.25 H new ATOM 0 HD2 PRO B 220 -8.565 -19.118 -17.730 1.00 32.32 H new ATOM 0 HD3 PRO B 220 -7.123 -20.113 -17.800 1.00 32.32 H new ATOM 1379 N VAL B 221 -5.359 -15.236 -19.527 1.00 14.05 N ATOM 1380 CA VAL B 221 -5.564 -13.862 -19.929 1.00 73.14 C ATOM 1381 C VAL B 221 -5.399 -13.743 -21.437 1.00 61.00 C ATOM 1382 O VAL B 221 -4.873 -14.663 -22.079 1.00 41.45 O ATOM 1383 CB VAL B 221 -4.586 -12.870 -19.227 1.00 52.04 C ATOM 1384 CG1 VAL B 221 -4.654 -13.006 -17.711 1.00 42.40 C ATOM 1385 CG2 VAL B 221 -3.152 -13.008 -19.744 1.00 3.12 C ATOM 0 H VAL B 221 -4.381 -15.526 -19.525 1.00 14.05 H new ATOM 0 HA VAL B 221 -6.575 -13.590 -19.626 1.00 73.14 H new ATOM 0 HB VAL B 221 -4.914 -11.862 -19.483 1.00 52.04 H new ATOM 0 HG11 VAL B 221 -3.961 -12.302 -17.251 1.00 42.40 H new ATOM 0 HG12 VAL B 221 -5.667 -12.792 -17.372 1.00 42.40 H new ATOM 0 HG13 VAL B 221 -4.382 -14.022 -17.424 1.00 42.40 H new ATOM 0 HG21 VAL B 221 -2.508 -12.297 -19.226 1.00 3.12 H new ATOM 0 HG22 VAL B 221 -2.795 -14.021 -19.561 1.00 3.12 H new ATOM 0 HG23 VAL B 221 -3.130 -12.804 -20.814 1.00 3.12 H new ATOM 1395 N SER B 222 -5.871 -12.635 -21.979 1.00 32.00 N ATOM 1396 CA SER B 222 -5.802 -12.302 -23.404 1.00 54.11 C ATOM 1397 C SER B 222 -4.429 -12.628 -24.030 1.00 22.42 C ATOM 1398 O SER B 222 -4.357 -13.365 -25.021 1.00 40.03 O ATOM 1399 CB SER B 222 -6.129 -10.808 -23.580 1.00 23.31 C ATOM 1400 OG SER B 222 -5.997 -10.385 -24.923 1.00 44.03 O ATOM 0 H SER B 222 -6.331 -11.912 -21.426 1.00 32.00 H new ATOM 0 HA SER B 222 -6.532 -12.918 -23.929 1.00 54.11 H new ATOM 0 HB2 SER B 222 -7.147 -10.619 -23.240 1.00 23.31 H new ATOM 0 HB3 SER B 222 -5.467 -10.216 -22.948 1.00 23.31 H new ATOM 0 HG SER B 222 -6.216 -9.432 -24.989 1.00 44.03 H new ATOM 1406 N ARG B 223 -3.361 -12.094 -23.449 1.00 32.52 N ATOM 1407 CA ARG B 223 -2.006 -12.289 -23.951 1.00 73.42 C ATOM 1408 C ARG B 223 -1.048 -11.602 -23.005 1.00 2.34 C ATOM 1409 O ARG B 223 -1.466 -10.701 -22.263 1.00 4.34 O ATOM 1410 CB ARG B 223 -1.873 -11.678 -25.367 1.00 21.23 C ATOM 1411 CG ARG B 223 -0.500 -11.814 -26.006 1.00 3.44 C ATOM 1412 CD ARG B 223 -0.495 -11.266 -27.412 1.00 40.31 C ATOM 1413 NE ARG B 223 -1.420 -12.002 -28.274 1.00 14.41 N ATOM 1414 CZ ARG B 223 -1.893 -11.564 -29.439 1.00 30.32 C ATOM 1415 NH1 ARG B 223 -1.522 -10.378 -29.916 1.00 1.30 N ATOM 1416 NH2 ARG B 223 -2.733 -12.317 -30.129 1.00 14.33 N ATOM 0 H ARG B 223 -3.411 -11.511 -22.613 1.00 32.52 H new ATOM 0 HA ARG B 223 -1.779 -13.353 -24.011 1.00 73.42 H new ATOM 0 HB2 ARG B 223 -2.608 -12.150 -26.019 1.00 21.23 H new ATOM 0 HB3 ARG B 223 -2.128 -10.620 -25.314 1.00 21.23 H new ATOM 0 HG2 ARG B 223 0.238 -11.284 -25.404 1.00 3.44 H new ATOM 0 HG3 ARG B 223 -0.205 -12.863 -26.021 1.00 3.44 H new ATOM 0 HD2 ARG B 223 -0.772 -10.212 -27.394 1.00 40.31 H new ATOM 0 HD3 ARG B 223 0.513 -11.324 -27.823 1.00 40.31 H new ATOM 0 HE ARG B 223 -1.726 -12.922 -27.958 1.00 14.41 H new ATOM 0 HH11 ARG B 223 -0.871 -9.797 -29.388 1.00 1.30 H new ATOM 0 HH12 ARG B 223 -1.889 -10.050 -30.809 1.00 1.30 H new ATOM 0 HH21 ARG B 223 -3.015 -13.228 -29.768 1.00 14.33 H new ATOM 0 HH22 ARG B 223 -3.099 -11.987 -31.022 1.00 14.33 H new ATOM 1430 N ILE B 224 0.209 -12.031 -23.002 1.00 13.33 N ATOM 1431 CA ILE B 224 1.231 -11.388 -22.198 1.00 31.41 C ATOM 1432 C ILE B 224 1.498 -10.035 -22.835 1.00 34.23 C ATOM 1433 O ILE B 224 2.047 -9.961 -23.944 1.00 31.22 O ATOM 1434 CB ILE B 224 2.575 -12.185 -22.189 1.00 20.11 C ATOM 1435 CG1 ILE B 224 2.362 -13.702 -21.927 1.00 4.45 C ATOM 1436 CG2 ILE B 224 3.531 -11.595 -21.150 1.00 32.11 C ATOM 1437 CD1 ILE B 224 1.700 -14.056 -20.632 1.00 21.14 C ATOM 0 H ILE B 224 0.541 -12.824 -23.551 1.00 13.33 H new ATOM 0 HA ILE B 224 0.879 -11.321 -21.169 1.00 31.41 H new ATOM 0 HB ILE B 224 3.014 -12.090 -23.182 1.00 20.11 H new ATOM 0 HG12 ILE B 224 1.765 -14.111 -22.742 1.00 4.45 H new ATOM 0 HG13 ILE B 224 3.332 -14.197 -21.964 1.00 4.45 H new ATOM 0 HG21 ILE B 224 4.464 -12.158 -21.153 1.00 32.11 H new ATOM 0 HG22 ILE B 224 3.736 -10.553 -21.394 1.00 32.11 H new ATOM 0 HG23 ILE B 224 3.075 -11.653 -20.162 1.00 32.11 H new ATOM 0 HD11 ILE B 224 1.603 -15.139 -20.557 1.00 21.14 H new ATOM 0 HD12 ILE B 224 2.303 -13.687 -19.802 1.00 21.14 H new ATOM 0 HD13 ILE B 224 0.711 -13.600 -20.592 1.00 21.14 H new ATOM 1449 N LYS B 225 1.094 -8.988 -22.188 1.00 22.11 N ATOM 1450 CA LYS B 225 1.234 -7.678 -22.754 1.00 51.34 C ATOM 1451 C LYS B 225 1.902 -6.751 -21.772 1.00 35.44 C ATOM 1452 O LYS B 225 1.904 -7.024 -20.568 1.00 71.34 O ATOM 1453 CB LYS B 225 -0.135 -7.151 -23.157 1.00 31.31 C ATOM 1454 CG LYS B 225 -1.097 -6.958 -22.013 1.00 33.42 C ATOM 1455 CD LYS B 225 -2.449 -6.546 -22.524 1.00 21.34 C ATOM 1456 CE LYS B 225 -3.131 -7.696 -23.253 1.00 22.40 C ATOM 1457 NZ LYS B 225 -4.253 -7.256 -24.126 1.00 43.00 N ATOM 0 H LYS B 225 0.663 -9.012 -21.264 1.00 22.11 H new ATOM 0 HA LYS B 225 1.864 -7.733 -23.642 1.00 51.34 H new ATOM 0 HB2 LYS B 225 -0.006 -6.198 -23.670 1.00 31.31 H new ATOM 0 HB3 LYS B 225 -0.578 -7.842 -23.874 1.00 31.31 H new ATOM 0 HG2 LYS B 225 -1.184 -7.883 -21.443 1.00 33.42 H new ATOM 0 HG3 LYS B 225 -0.713 -6.199 -21.331 1.00 33.42 H new ATOM 0 HD2 LYS B 225 -3.072 -6.218 -21.692 1.00 21.34 H new ATOM 0 HD3 LYS B 225 -2.343 -5.695 -23.197 1.00 21.34 H new ATOM 0 HE2 LYS B 225 -2.393 -8.222 -23.859 1.00 22.40 H new ATOM 0 HE3 LYS B 225 -3.508 -8.409 -22.520 1.00 22.40 H new ATOM 0 HZ1 LYS B 225 -5.025 -7.951 -24.076 1.00 43.00 H new ATOM 0 HZ2 LYS B 225 -4.600 -6.330 -23.805 1.00 43.00 H new ATOM 0 HZ3 LYS B 225 -3.919 -7.179 -25.108 1.00 43.00 H new ATOM 1471 N THR B 226 2.465 -5.677 -22.278 1.00 5.02 N ATOM 1472 CA THR B 226 3.145 -4.724 -21.450 1.00 33.11 C ATOM 1473 C THR B 226 2.577 -3.317 -21.559 1.00 3.40 C ATOM 1474 O THR B 226 2.343 -2.800 -22.663 1.00 35.32 O ATOM 1475 CB THR B 226 4.668 -4.712 -21.710 1.00 14.31 C ATOM 1476 OG1 THR B 226 4.936 -4.672 -23.126 1.00 20.22 O ATOM 1477 CG2 THR B 226 5.351 -5.909 -21.072 1.00 35.30 C ATOM 0 H THR B 226 2.461 -5.446 -23.271 1.00 5.02 H new ATOM 0 HA THR B 226 2.972 -5.059 -20.427 1.00 33.11 H new ATOM 0 HB THR B 226 5.078 -3.813 -21.249 1.00 14.31 H new ATOM 0 HG1 THR B 226 5.904 -4.663 -23.276 1.00 20.22 H new ATOM 0 HG21 THR B 226 6.421 -5.868 -21.275 1.00 35.30 H new ATOM 0 HG22 THR B 226 5.185 -5.891 -19.995 1.00 35.30 H new ATOM 0 HG23 THR B 226 4.938 -6.828 -21.488 1.00 35.30 H new ATOM 1485 N TYR B 227 2.317 -2.728 -20.417 1.00 63.25 N ATOM 1486 CA TYR B 227 1.900 -1.342 -20.314 1.00 34.51 C ATOM 1487 C TYR B 227 2.990 -0.543 -19.646 1.00 63.23 C ATOM 1488 O TYR B 227 3.575 -1.006 -18.682 1.00 74.41 O ATOM 1489 CB TYR B 227 0.585 -1.214 -19.528 1.00 41.50 C ATOM 1490 CG TYR B 227 -0.609 -1.743 -20.276 1.00 32.04 C ATOM 1491 CD1 TYR B 227 -0.981 -3.079 -20.190 1.00 12.54 C ATOM 1492 CD2 TYR B 227 -1.354 -0.905 -21.089 1.00 4.44 C ATOM 1493 CE1 TYR B 227 -2.062 -3.560 -20.893 1.00 74.23 C ATOM 1494 CE2 TYR B 227 -2.432 -1.374 -21.797 1.00 15.53 C ATOM 1495 CZ TYR B 227 -2.789 -2.696 -21.702 1.00 30.33 C ATOM 1496 OH TYR B 227 -3.869 -3.154 -22.430 1.00 34.41 O ATOM 0 H TYR B 227 2.389 -3.202 -19.516 1.00 63.25 H new ATOM 0 HA TYR B 227 1.724 -0.954 -21.317 1.00 34.51 H new ATOM 0 HB2 TYR B 227 0.680 -1.750 -18.584 1.00 41.50 H new ATOM 0 HB3 TYR B 227 0.416 -0.165 -19.283 1.00 41.50 H new ATOM 0 HD1 TYR B 227 -0.413 -3.750 -19.562 1.00 12.54 H new ATOM 0 HD2 TYR B 227 -1.081 0.137 -21.167 1.00 4.44 H new ATOM 0 HE1 TYR B 227 -2.343 -4.600 -20.816 1.00 74.23 H new ATOM 0 HE2 TYR B 227 -2.998 -0.704 -22.428 1.00 15.53 H new ATOM 0 HH TYR B 227 -4.624 -3.319 -21.827 1.00 34.41 H new ATOM 1506 N THR B 228 3.281 0.627 -20.155 1.00 43.42 N ATOM 1507 CA THR B 228 4.301 1.442 -19.562 1.00 71.12 C ATOM 1508 C THR B 228 3.688 2.708 -18.930 1.00 74.52 C ATOM 1509 O THR B 228 2.862 3.398 -19.547 1.00 15.42 O ATOM 1510 CB THR B 228 5.414 1.808 -20.582 1.00 24.30 C ATOM 1511 OG1 THR B 228 5.882 0.599 -21.211 1.00 11.32 O ATOM 1512 CG2 THR B 228 6.602 2.451 -19.872 1.00 71.42 C ATOM 0 H THR B 228 2.827 1.032 -20.974 1.00 43.42 H new ATOM 0 HA THR B 228 4.771 0.857 -18.771 1.00 71.12 H new ATOM 0 HB THR B 228 5.002 2.504 -21.312 1.00 24.30 H new ATOM 0 HG1 THR B 228 6.584 0.818 -21.859 1.00 11.32 H new ATOM 0 HG21 THR B 228 7.371 2.700 -20.603 1.00 71.42 H new ATOM 0 HG22 THR B 228 6.275 3.359 -19.365 1.00 71.42 H new ATOM 0 HG23 THR B 228 7.009 1.754 -19.140 1.00 71.42 H new ATOM 1520 N ILE B 229 4.067 2.955 -17.697 1.00 44.15 N ATOM 1521 CA ILE B 229 3.622 4.089 -16.919 1.00 64.31 C ATOM 1522 C ILE B 229 4.776 5.053 -16.798 1.00 21.14 C ATOM 1523 O ILE B 229 5.909 4.637 -16.673 1.00 2.04 O ATOM 1524 CB ILE B 229 3.213 3.632 -15.492 1.00 22.41 C ATOM 1525 CG1 ILE B 229 2.164 2.528 -15.599 1.00 52.33 C ATOM 1526 CG2 ILE B 229 2.672 4.816 -14.691 1.00 35.05 C ATOM 1527 CD1 ILE B 229 1.798 1.860 -14.319 1.00 31.50 C ATOM 0 H ILE B 229 4.715 2.352 -17.191 1.00 44.15 H new ATOM 0 HA ILE B 229 2.765 4.554 -17.407 1.00 64.31 H new ATOM 0 HB ILE B 229 4.087 3.243 -14.970 1.00 22.41 H new ATOM 0 HG12 ILE B 229 1.261 2.952 -16.038 1.00 52.33 H new ATOM 0 HG13 ILE B 229 2.530 1.770 -16.292 1.00 52.33 H new ATOM 0 HG21 ILE B 229 2.389 4.481 -13.693 1.00 35.05 H new ATOM 0 HG22 ILE B 229 3.442 5.584 -14.612 1.00 35.05 H new ATOM 0 HG23 ILE B 229 1.799 5.229 -15.196 1.00 35.05 H new ATOM 0 HD11 ILE B 229 1.047 1.094 -14.510 1.00 31.50 H new ATOM 0 HD12 ILE B 229 2.684 1.398 -13.883 1.00 31.50 H new ATOM 0 HD13 ILE B 229 1.395 2.598 -13.626 1.00 31.50 H new ATOM 1539 N THR B 230 4.493 6.301 -16.849 1.00 20.44 N ATOM 1540 CA THR B 230 5.499 7.320 -16.770 1.00 53.55 C ATOM 1541 C THR B 230 5.069 8.429 -15.820 1.00 51.31 C ATOM 1542 O THR B 230 4.248 9.279 -16.179 1.00 14.12 O ATOM 1543 CB THR B 230 5.860 7.905 -18.166 1.00 50.15 C ATOM 1544 OG1 THR B 230 4.665 8.370 -18.827 1.00 30.01 O ATOM 1545 CG2 THR B 230 6.556 6.866 -19.039 1.00 45.41 C ATOM 0 H THR B 230 3.544 6.661 -16.948 1.00 20.44 H new ATOM 0 HA THR B 230 6.400 6.848 -16.377 1.00 53.55 H new ATOM 0 HB THR B 230 6.545 8.739 -18.015 1.00 50.15 H new ATOM 0 HG1 THR B 230 4.088 8.825 -18.178 1.00 30.01 H new ATOM 0 HG21 THR B 230 6.795 7.306 -20.007 1.00 45.41 H new ATOM 0 HG22 THR B 230 7.475 6.539 -18.552 1.00 45.41 H new ATOM 0 HG23 THR B 230 5.896 6.010 -19.182 1.00 45.41 H new ATOM 1553 N GLU B 231 5.569 8.403 -14.619 1.00 75.35 N ATOM 1554 CA GLU B 231 5.248 9.432 -13.658 1.00 13.10 C ATOM 1555 C GLU B 231 6.482 10.264 -13.394 1.00 75.13 C ATOM 1556 O GLU B 231 7.355 9.840 -12.649 1.00 75.45 O ATOM 1557 CB GLU B 231 4.801 8.848 -12.333 1.00 54.41 C ATOM 1558 CG GLU B 231 3.599 7.926 -12.340 1.00 71.32 C ATOM 1559 CD GLU B 231 3.297 7.532 -10.961 1.00 64.22 C ATOM 1560 OE1 GLU B 231 2.971 8.434 -10.130 1.00 4.55 O ATOM 1561 OE2 GLU B 231 3.320 6.328 -10.656 1.00 13.23 O ATOM 0 H GLU B 231 6.203 7.681 -14.276 1.00 75.35 H new ATOM 0 HA GLU B 231 4.437 10.029 -14.076 1.00 13.10 H new ATOM 0 HB2 GLU B 231 5.642 8.300 -11.907 1.00 54.41 H new ATOM 0 HB3 GLU B 231 4.585 9.676 -11.657 1.00 54.41 H new ATOM 0 HG2 GLU B 231 2.740 8.429 -12.785 1.00 71.32 H new ATOM 0 HG3 GLU B 231 3.803 7.045 -12.948 1.00 71.32 H new ATOM 1568 N GLY B 232 6.573 11.417 -14.013 1.00 44.13 N ATOM 1569 CA GLY B 232 7.725 12.270 -13.802 1.00 35.43 C ATOM 1570 C GLY B 232 9.021 11.656 -14.344 1.00 34.43 C ATOM 1571 O GLY B 232 9.334 11.783 -15.537 1.00 33.44 O ATOM 0 H GLY B 232 5.875 11.785 -14.659 1.00 44.13 H new ATOM 0 HA2 GLY B 232 7.553 13.232 -14.285 1.00 35.43 H new ATOM 0 HA3 GLY B 232 7.838 12.465 -12.735 1.00 35.43 H new ATOM 1575 N SER B 233 9.748 10.990 -13.478 1.00 75.41 N ATOM 1576 CA SER B 233 10.994 10.326 -13.818 1.00 12.43 C ATOM 1577 C SER B 233 10.859 8.812 -13.557 1.00 22.21 C ATOM 1578 O SER B 233 11.842 8.099 -13.431 1.00 15.11 O ATOM 1579 CB SER B 233 12.119 10.907 -12.951 1.00 72.41 C ATOM 1580 OG SER B 233 12.215 12.325 -13.124 1.00 34.41 O ATOM 0 H SER B 233 9.489 10.890 -12.497 1.00 75.41 H new ATOM 0 HA SER B 233 11.225 10.485 -14.871 1.00 12.43 H new ATOM 0 HB2 SER B 233 11.932 10.676 -11.902 1.00 72.41 H new ATOM 0 HB3 SER B 233 13.067 10.439 -13.216 1.00 72.41 H new ATOM 0 HG SER B 233 12.937 12.675 -12.561 1.00 34.41 H new ATOM 1586 N LEU B 234 9.634 8.341 -13.524 1.00 53.20 N ATOM 1587 CA LEU B 234 9.351 6.952 -13.236 1.00 2.23 C ATOM 1588 C LEU B 234 8.811 6.268 -14.477 1.00 62.54 C ATOM 1589 O LEU B 234 7.850 6.735 -15.070 1.00 34.12 O ATOM 1590 CB LEU B 234 8.281 6.863 -12.154 1.00 61.34 C ATOM 1591 CG LEU B 234 7.916 5.464 -11.685 1.00 12.34 C ATOM 1592 CD1 LEU B 234 9.030 4.864 -10.848 1.00 40.53 C ATOM 1593 CD2 LEU B 234 6.584 5.464 -10.958 1.00 20.11 C ATOM 0 H LEU B 234 8.805 8.909 -13.696 1.00 53.20 H new ATOM 0 HA LEU B 234 10.272 6.471 -12.907 1.00 2.23 H new ATOM 0 HB2 LEU B 234 8.618 7.437 -11.291 1.00 61.34 H new ATOM 0 HB3 LEU B 234 7.377 7.347 -12.525 1.00 61.34 H new ATOM 0 HG LEU B 234 7.799 4.827 -12.562 1.00 12.34 H new ATOM 0 HD11 LEU B 234 8.744 3.863 -10.525 1.00 40.53 H new ATOM 0 HD12 LEU B 234 9.942 4.806 -11.443 1.00 40.53 H new ATOM 0 HD13 LEU B 234 9.206 5.491 -9.974 1.00 40.53 H new ATOM 0 HD21 LEU B 234 6.347 4.451 -10.633 1.00 20.11 H new ATOM 0 HD22 LEU B 234 6.644 6.119 -10.089 1.00 20.11 H new ATOM 0 HD23 LEU B 234 5.803 5.822 -11.629 1.00 20.11 H new ATOM 1605 N ARG B 235 9.417 5.174 -14.849 1.00 4.53 N ATOM 1606 CA ARG B 235 8.969 4.386 -15.982 1.00 13.33 C ATOM 1607 C ARG B 235 8.566 3.024 -15.476 1.00 11.55 C ATOM 1608 O ARG B 235 9.397 2.277 -15.017 1.00 51.34 O ATOM 1609 CB ARG B 235 10.099 4.227 -16.987 1.00 45.55 C ATOM 1610 CG ARG B 235 10.594 5.518 -17.594 1.00 74.13 C ATOM 1611 CD ARG B 235 11.827 5.255 -18.425 1.00 5.02 C ATOM 1612 NE ARG B 235 12.379 6.474 -19.018 1.00 75.23 N ATOM 1613 CZ ARG B 235 13.651 6.617 -19.412 1.00 22.00 C ATOM 1614 NH1 ARG B 235 14.532 5.632 -19.213 1.00 65.11 N ATOM 1615 NH2 ARG B 235 14.049 7.747 -19.985 1.00 12.31 N ATOM 0 H ARG B 235 10.239 4.796 -14.378 1.00 4.53 H new ATOM 0 HA ARG B 235 8.130 4.883 -16.469 1.00 13.33 H new ATOM 0 HB2 ARG B 235 10.935 3.729 -16.496 1.00 45.55 H new ATOM 0 HB3 ARG B 235 9.763 3.570 -17.789 1.00 45.55 H new ATOM 0 HG2 ARG B 235 9.815 5.961 -18.214 1.00 74.13 H new ATOM 0 HG3 ARG B 235 10.822 6.236 -16.807 1.00 74.13 H new ATOM 0 HD2 ARG B 235 12.586 4.783 -17.802 1.00 5.02 H new ATOM 0 HD3 ARG B 235 11.582 4.549 -19.218 1.00 5.02 H new ATOM 0 HE ARG B 235 11.752 7.269 -19.140 1.00 75.23 H new ATOM 0 HH11 ARG B 235 14.237 4.767 -18.760 1.00 65.11 H new ATOM 0 HH12 ARG B 235 15.500 5.745 -19.515 1.00 65.11 H new ATOM 0 HH21 ARG B 235 13.385 8.509 -20.126 1.00 12.31 H new ATOM 0 HH22 ARG B 235 15.018 7.853 -20.284 1.00 12.31 H new ATOM 1629 N CYS B 236 7.321 2.706 -15.539 1.00 43.32 N ATOM 1630 CA CYS B 236 6.874 1.436 -15.023 1.00 14.33 C ATOM 1631 C CYS B 236 6.411 0.567 -16.159 1.00 60.04 C ATOM 1632 O CYS B 236 5.798 1.051 -17.072 1.00 12.12 O ATOM 1633 CB CYS B 236 5.734 1.617 -14.038 1.00 23.33 C ATOM 1634 SG CYS B 236 5.576 0.218 -12.871 1.00 14.33 S ATOM 0 H CYS B 236 6.589 3.295 -15.937 1.00 43.32 H new ATOM 0 HA CYS B 236 7.710 0.965 -14.505 1.00 14.33 H new ATOM 0 HB2 CYS B 236 5.889 2.538 -13.475 1.00 23.33 H new ATOM 0 HB3 CYS B 236 4.800 1.733 -14.588 1.00 23.33 H new ATOM 1639 N VAL B 237 6.709 -0.700 -16.103 1.00 15.23 N ATOM 1640 CA VAL B 237 6.313 -1.609 -17.150 1.00 45.31 C ATOM 1641 C VAL B 237 5.522 -2.732 -16.522 1.00 42.25 C ATOM 1642 O VAL B 237 5.939 -3.302 -15.515 1.00 30.42 O ATOM 1643 CB VAL B 237 7.534 -2.186 -17.907 1.00 52.11 C ATOM 1644 CG1 VAL B 237 7.097 -3.025 -19.094 1.00 1.44 C ATOM 1645 CG2 VAL B 237 8.485 -1.082 -18.335 1.00 2.11 C ATOM 0 H VAL B 237 7.228 -1.133 -15.339 1.00 15.23 H new ATOM 0 HA VAL B 237 5.711 -1.067 -17.879 1.00 45.31 H new ATOM 0 HB VAL B 237 8.072 -2.839 -17.220 1.00 52.11 H new ATOM 0 HG11 VAL B 237 7.976 -3.417 -19.606 1.00 1.44 H new ATOM 0 HG12 VAL B 237 6.480 -3.854 -18.746 1.00 1.44 H new ATOM 0 HG13 VAL B 237 6.521 -2.408 -19.783 1.00 1.44 H new ATOM 0 HG21 VAL B 237 9.333 -1.517 -18.864 1.00 2.11 H new ATOM 0 HG22 VAL B 237 7.963 -0.388 -18.994 1.00 2.11 H new ATOM 0 HG23 VAL B 237 8.842 -0.548 -17.455 1.00 2.11 H new ATOM 1655 N ILE B 238 4.402 -3.036 -17.098 1.00 0.52 N ATOM 1656 CA ILE B 238 3.506 -4.023 -16.559 1.00 54.42 C ATOM 1657 C ILE B 238 3.392 -5.178 -17.515 1.00 72.23 C ATOM 1658 O ILE B 238 2.961 -5.006 -18.632 1.00 12.11 O ATOM 1659 CB ILE B 238 2.098 -3.418 -16.417 1.00 1.41 C ATOM 1660 CG1 ILE B 238 2.150 -2.133 -15.609 1.00 41.12 C ATOM 1661 CG2 ILE B 238 1.144 -4.425 -15.758 1.00 65.42 C ATOM 1662 CD1 ILE B 238 0.857 -1.383 -15.609 1.00 45.32 C ATOM 0 H ILE B 238 4.076 -2.605 -17.963 1.00 0.52 H new ATOM 0 HA ILE B 238 3.892 -4.350 -15.594 1.00 54.42 H new ATOM 0 HB ILE B 238 1.722 -3.185 -17.413 1.00 1.41 H new ATOM 0 HG12 ILE B 238 2.425 -2.369 -14.581 1.00 41.12 H new ATOM 0 HG13 ILE B 238 2.935 -1.491 -16.010 1.00 41.12 H new ATOM 0 HG21 ILE B 238 0.153 -3.981 -15.665 1.00 65.42 H new ATOM 0 HG22 ILE B 238 1.083 -5.324 -16.372 1.00 65.42 H new ATOM 0 HG23 ILE B 238 1.518 -4.687 -14.768 1.00 65.42 H new ATOM 0 HD11 ILE B 238 0.963 -0.476 -15.014 1.00 45.32 H new ATOM 0 HD12 ILE B 238 0.591 -1.117 -16.632 1.00 45.32 H new ATOM 0 HD13 ILE B 238 0.074 -2.008 -15.181 1.00 45.32 H new ATOM 1674 N PHE B 239 3.781 -6.319 -17.061 1.00 32.25 N ATOM 1675 CA PHE B 239 3.668 -7.547 -17.785 1.00 72.02 C ATOM 1676 C PHE B 239 2.461 -8.297 -17.289 1.00 13.24 C ATOM 1677 O PHE B 239 2.451 -8.771 -16.137 1.00 24.34 O ATOM 1678 CB PHE B 239 4.895 -8.425 -17.554 1.00 64.21 C ATOM 1679 CG PHE B 239 6.145 -7.974 -18.222 1.00 10.04 C ATOM 1680 CD1 PHE B 239 6.885 -6.914 -17.725 1.00 52.24 C ATOM 1681 CD2 PHE B 239 6.585 -8.623 -19.358 1.00 31.11 C ATOM 1682 CE1 PHE B 239 8.044 -6.512 -18.358 1.00 22.02 C ATOM 1683 CE2 PHE B 239 7.734 -8.232 -19.993 1.00 50.24 C ATOM 1684 CZ PHE B 239 8.472 -7.174 -19.496 1.00 31.20 C ATOM 0 H PHE B 239 4.204 -6.431 -16.140 1.00 32.25 H new ATOM 0 HA PHE B 239 3.581 -7.316 -18.847 1.00 72.02 H new ATOM 0 HB2 PHE B 239 5.079 -8.485 -16.481 1.00 64.21 H new ATOM 0 HB3 PHE B 239 4.666 -9.435 -17.895 1.00 64.21 H new ATOM 0 HD1 PHE B 239 6.553 -6.398 -16.836 1.00 52.24 H new ATOM 0 HD2 PHE B 239 6.015 -9.451 -19.752 1.00 31.11 H new ATOM 0 HE1 PHE B 239 8.615 -5.683 -17.967 1.00 22.02 H new ATOM 0 HE2 PHE B 239 8.063 -8.750 -20.882 1.00 50.24 H new ATOM 0 HZ PHE B 239 9.379 -6.865 -19.994 1.00 31.20 H new ATOM 1694 N ILE B 240 1.451 -8.406 -18.105 1.00 10.11 N ATOM 1695 CA ILE B 240 0.290 -9.155 -17.702 1.00 11.13 C ATOM 1696 C ILE B 240 0.512 -10.558 -18.174 1.00 44.21 C ATOM 1697 O ILE B 240 0.641 -10.782 -19.368 1.00 52.14 O ATOM 1698 CB ILE B 240 -1.021 -8.649 -18.376 1.00 0.12 C ATOM 1699 CG1 ILE B 240 -1.113 -7.125 -18.332 1.00 45.30 C ATOM 1700 CG2 ILE B 240 -2.237 -9.283 -17.705 1.00 40.40 C ATOM 1701 CD1 ILE B 240 -2.451 -6.579 -18.768 1.00 44.31 C ATOM 0 H ILE B 240 1.405 -7.995 -19.037 1.00 10.11 H new ATOM 0 HA ILE B 240 0.170 -9.058 -16.623 1.00 11.13 H new ATOM 0 HB ILE B 240 -1.003 -8.949 -19.424 1.00 0.12 H new ATOM 0 HG12 ILE B 240 -0.908 -6.788 -17.316 1.00 45.30 H new ATOM 0 HG13 ILE B 240 -0.335 -6.705 -18.970 1.00 45.30 H new ATOM 0 HG21 ILE B 240 -3.147 -8.922 -18.185 1.00 40.40 H new ATOM 0 HG22 ILE B 240 -2.182 -10.367 -17.802 1.00 40.40 H new ATOM 0 HG23 ILE B 240 -2.252 -9.013 -16.649 1.00 40.40 H new ATOM 0 HD11 ILE B 240 -2.437 -5.491 -18.709 1.00 44.31 H new ATOM 0 HD12 ILE B 240 -2.651 -6.884 -19.795 1.00 44.31 H new ATOM 0 HD13 ILE B 240 -3.233 -6.968 -18.115 1.00 44.31 H new ATOM 1713 N THR B 241 0.578 -11.499 -17.275 1.00 41.04 N ATOM 1714 CA THR B 241 0.788 -12.837 -17.692 1.00 1.35 C ATOM 1715 C THR B 241 -0.445 -13.664 -17.382 1.00 2.10 C ATOM 1716 O THR B 241 -1.273 -13.256 -16.578 1.00 61.14 O ATOM 1717 CB THR B 241 2.080 -13.476 -17.107 1.00 13.12 C ATOM 1718 OG1 THR B 241 1.991 -13.611 -15.689 1.00 13.33 O ATOM 1719 CG2 THR B 241 3.311 -12.637 -17.434 1.00 64.14 C ATOM 0 H THR B 241 0.490 -11.359 -16.268 1.00 41.04 H new ATOM 0 HA THR B 241 0.949 -12.822 -18.770 1.00 1.35 H new ATOM 0 HB THR B 241 2.177 -14.460 -17.565 1.00 13.12 H new ATOM 0 HG1 THR B 241 1.131 -13.258 -15.380 1.00 13.33 H new ATOM 0 HG21 THR B 241 4.197 -13.111 -17.011 1.00 64.14 H new ATOM 0 HG22 THR B 241 3.422 -12.560 -18.516 1.00 64.14 H new ATOM 0 HG23 THR B 241 3.195 -11.640 -17.009 1.00 64.14 H new ATOM 1727 N LYS B 242 -0.556 -14.821 -17.997 1.00 34.43 N ATOM 1728 CA LYS B 242 -1.769 -15.641 -17.889 1.00 22.23 C ATOM 1729 C LYS B 242 -2.036 -16.296 -16.525 1.00 12.04 C ATOM 1730 O LYS B 242 -3.027 -16.993 -16.371 1.00 22.21 O ATOM 1731 CB LYS B 242 -1.943 -16.588 -19.102 1.00 11.12 C ATOM 1732 CG LYS B 242 -0.740 -17.460 -19.439 1.00 1.11 C ATOM 1733 CD LYS B 242 -0.460 -18.537 -18.411 1.00 64.33 C ATOM 1734 CE LYS B 242 -1.593 -19.562 -18.347 1.00 23.05 C ATOM 1735 NZ LYS B 242 -1.211 -20.757 -17.568 1.00 63.33 N ATOM 0 H LYS B 242 0.175 -15.226 -18.582 1.00 34.43 H new ATOM 0 HA LYS B 242 -2.584 -14.918 -17.936 1.00 22.23 H new ATOM 0 HB2 LYS B 242 -2.797 -17.238 -18.912 1.00 11.12 H new ATOM 0 HB3 LYS B 242 -2.188 -15.986 -19.977 1.00 11.12 H new ATOM 0 HG2 LYS B 242 -0.904 -17.930 -20.409 1.00 1.11 H new ATOM 0 HG3 LYS B 242 0.141 -16.826 -19.537 1.00 1.11 H new ATOM 0 HD2 LYS B 242 0.474 -19.041 -18.657 1.00 64.33 H new ATOM 0 HD3 LYS B 242 -0.327 -18.079 -17.431 1.00 64.33 H new ATOM 0 HE2 LYS B 242 -2.474 -19.102 -17.898 1.00 23.05 H new ATOM 0 HE3 LYS B 242 -1.870 -19.861 -19.358 1.00 23.05 H new ATOM 0 HZ1 LYS B 242 -2.067 -21.221 -17.202 1.00 63.33 H new ATOM 0 HZ2 LYS B 242 -0.693 -21.419 -18.180 1.00 63.33 H new ATOM 0 HZ3 LYS B 242 -0.604 -20.473 -16.773 1.00 63.33 H new ATOM 1749 N ARG B 243 -1.148 -16.083 -15.565 1.00 3.42 N ATOM 1750 CA ARG B 243 -1.372 -16.497 -14.179 1.00 21.13 C ATOM 1751 C ARG B 243 -0.742 -15.545 -13.201 1.00 1.42 C ATOM 1752 O ARG B 243 -0.508 -15.899 -12.055 1.00 41.14 O ATOM 1753 CB ARG B 243 -0.886 -17.903 -13.870 1.00 42.03 C ATOM 1754 CG ARG B 243 -1.746 -18.996 -14.428 1.00 21.44 C ATOM 1755 CD ARG B 243 -1.368 -20.305 -13.813 1.00 63.20 C ATOM 1756 NE ARG B 243 -1.552 -20.293 -12.354 1.00 61.21 N ATOM 1757 CZ ARG B 243 -0.966 -21.149 -11.511 1.00 73.25 C ATOM 1758 NH1 ARG B 243 -0.099 -22.044 -11.970 1.00 40.31 N ATOM 1759 NH2 ARG B 243 -1.230 -21.093 -10.213 1.00 13.40 N ATOM 0 H ARG B 243 -0.253 -15.620 -15.720 1.00 3.42 H new ATOM 0 HA ARG B 243 -2.456 -16.486 -14.066 1.00 21.13 H new ATOM 0 HB2 ARG B 243 0.125 -18.018 -14.261 1.00 42.03 H new ATOM 0 HB3 ARG B 243 -0.825 -18.023 -12.788 1.00 42.03 H new ATOM 0 HG2 ARG B 243 -2.796 -18.781 -14.230 1.00 21.44 H new ATOM 0 HG3 ARG B 243 -1.629 -19.046 -15.511 1.00 21.44 H new ATOM 0 HD2 ARG B 243 -1.972 -21.100 -14.250 1.00 63.20 H new ATOM 0 HD3 ARG B 243 -0.327 -20.530 -14.047 1.00 63.20 H new ATOM 0 HE ARG B 243 -2.169 -19.583 -11.958 1.00 61.21 H new ATOM 0 HH11 ARG B 243 0.120 -22.078 -12.966 1.00 40.31 H new ATOM 0 HH12 ARG B 243 0.348 -22.697 -11.327 1.00 40.31 H new ATOM 0 HH21 ARG B 243 -1.882 -20.395 -9.855 1.00 13.40 H new ATOM 0 HH22 ARG B 243 -0.781 -21.748 -9.573 1.00 13.40 H new ATOM 1773 N GLY B 244 -0.484 -14.339 -13.611 1.00 62.31 N ATOM 1774 CA GLY B 244 0.105 -13.420 -12.681 1.00 71.32 C ATOM 1775 C GLY B 244 0.500 -12.139 -13.307 1.00 10.31 C ATOM 1776 O GLY B 244 0.355 -11.955 -14.514 1.00 13.21 O ATOM 0 H GLY B 244 -0.663 -13.976 -14.547 1.00 62.31 H new ATOM 0 HA2 GLY B 244 -0.603 -13.222 -11.876 1.00 71.32 H new ATOM 0 HA3 GLY B 244 0.982 -13.882 -12.227 1.00 71.32 H new ATOM 1780 N LEU B 245 1.006 -11.251 -12.519 1.00 64.30 N ATOM 1781 CA LEU B 245 1.423 -9.974 -13.032 1.00 4.54 C ATOM 1782 C LEU B 245 2.797 -9.609 -12.569 1.00 64.52 C ATOM 1783 O LEU B 245 3.164 -9.803 -11.406 1.00 51.24 O ATOM 1784 CB LEU B 245 0.440 -8.813 -12.743 1.00 33.53 C ATOM 1785 CG LEU B 245 -0.937 -8.841 -13.437 1.00 44.30 C ATOM 1786 CD1 LEU B 245 -1.879 -9.875 -12.836 1.00 73.34 C ATOM 1787 CD2 LEU B 245 -1.557 -7.465 -13.439 1.00 65.44 C ATOM 0 H LEU B 245 1.144 -11.378 -11.516 1.00 64.30 H new ATOM 0 HA LEU B 245 1.430 -10.108 -14.114 1.00 4.54 H new ATOM 0 HB2 LEU B 245 0.271 -8.779 -11.667 1.00 33.53 H new ATOM 0 HB3 LEU B 245 0.934 -7.881 -13.018 1.00 33.53 H new ATOM 0 HG LEU B 245 -0.770 -9.148 -14.469 1.00 44.30 H new ATOM 0 HD11 LEU B 245 -2.832 -9.849 -13.364 1.00 73.34 H new ATOM 0 HD12 LEU B 245 -1.438 -10.867 -12.931 1.00 73.34 H new ATOM 0 HD13 LEU B 245 -2.042 -9.650 -11.782 1.00 73.34 H new ATOM 0 HD21 LEU B 245 -2.528 -7.504 -13.933 1.00 65.44 H new ATOM 0 HD22 LEU B 245 -1.686 -7.122 -12.412 1.00 65.44 H new ATOM 0 HD23 LEU B 245 -0.906 -6.773 -13.973 1.00 65.44 H new ATOM 1799 N LYS B 246 3.542 -9.098 -13.481 1.00 63.35 N ATOM 1800 CA LYS B 246 4.861 -8.621 -13.245 1.00 65.25 C ATOM 1801 C LYS B 246 4.895 -7.150 -13.525 1.00 53.14 C ATOM 1802 O LYS B 246 4.597 -6.722 -14.616 1.00 34.44 O ATOM 1803 CB LYS B 246 5.848 -9.363 -14.147 1.00 20.14 C ATOM 1804 CG LYS B 246 7.183 -8.660 -14.339 1.00 62.12 C ATOM 1805 CD LYS B 246 8.027 -9.410 -15.326 1.00 2.40 C ATOM 1806 CE LYS B 246 9.239 -8.618 -15.745 1.00 61.41 C ATOM 1807 NZ LYS B 246 10.113 -9.392 -16.655 1.00 73.50 N ATOM 0 H LYS B 246 3.241 -8.996 -14.450 1.00 63.35 H new ATOM 0 HA LYS B 246 5.146 -8.799 -12.208 1.00 65.25 H new ATOM 0 HB2 LYS B 246 6.030 -10.352 -13.727 1.00 20.14 H new ATOM 0 HB3 LYS B 246 5.387 -9.511 -15.123 1.00 20.14 H new ATOM 0 HG2 LYS B 246 7.018 -7.641 -14.690 1.00 62.12 H new ATOM 0 HG3 LYS B 246 7.705 -8.588 -13.385 1.00 62.12 H new ATOM 0 HD2 LYS B 246 8.345 -10.356 -14.887 1.00 2.40 H new ATOM 0 HD3 LYS B 246 7.429 -9.652 -16.205 1.00 2.40 H new ATOM 0 HE2 LYS B 246 8.921 -7.700 -16.240 1.00 61.41 H new ATOM 0 HE3 LYS B 246 9.804 -8.324 -14.861 1.00 61.41 H new ATOM 0 HZ1 LYS B 246 10.936 -8.814 -16.921 1.00 73.50 H new ATOM 0 HZ2 LYS B 246 10.437 -10.255 -16.174 1.00 73.50 H new ATOM 0 HZ3 LYS B 246 9.581 -9.651 -17.510 1.00 73.50 H new ATOM 1821 N VAL B 247 5.241 -6.394 -12.567 1.00 22.23 N ATOM 1822 CA VAL B 247 5.314 -4.973 -12.751 1.00 4.22 C ATOM 1823 C VAL B 247 6.690 -4.474 -12.358 1.00 54.00 C ATOM 1824 O VAL B 247 7.272 -4.907 -11.360 1.00 14.21 O ATOM 1825 CB VAL B 247 4.188 -4.239 -11.985 1.00 31.23 C ATOM 1826 CG1 VAL B 247 4.305 -4.433 -10.482 1.00 41.41 C ATOM 1827 CG2 VAL B 247 4.152 -2.781 -12.357 1.00 70.32 C ATOM 0 H VAL B 247 5.484 -6.720 -11.632 1.00 22.23 H new ATOM 0 HA VAL B 247 5.159 -4.750 -13.807 1.00 4.22 H new ATOM 0 HB VAL B 247 3.239 -4.684 -12.285 1.00 31.23 H new ATOM 0 HG11 VAL B 247 3.495 -3.901 -9.982 1.00 41.41 H new ATOM 0 HG12 VAL B 247 4.241 -5.495 -10.246 1.00 41.41 H new ATOM 0 HG13 VAL B 247 5.262 -4.042 -10.138 1.00 41.41 H new ATOM 0 HG21 VAL B 247 3.353 -2.285 -11.807 1.00 70.32 H new ATOM 0 HG22 VAL B 247 5.107 -2.318 -12.107 1.00 70.32 H new ATOM 0 HG23 VAL B 247 3.970 -2.683 -13.427 1.00 70.32 H new ATOM 1837 N CYS B 248 7.232 -3.627 -13.154 1.00 31.44 N ATOM 1838 CA CYS B 248 8.539 -3.151 -12.912 1.00 73.02 C ATOM 1839 C CYS B 248 8.558 -1.647 -13.015 1.00 22.03 C ATOM 1840 O CYS B 248 8.546 -1.101 -14.114 1.00 4.23 O ATOM 1841 CB CYS B 248 9.494 -3.767 -13.939 1.00 33.41 C ATOM 1842 SG CYS B 248 11.257 -3.555 -13.565 1.00 65.11 S ATOM 0 H CYS B 248 6.783 -3.247 -13.987 1.00 31.44 H new ATOM 0 HA CYS B 248 8.858 -3.436 -11.909 1.00 73.02 H new ATOM 0 HB2 CYS B 248 9.280 -4.833 -14.019 1.00 33.41 H new ATOM 0 HB3 CYS B 248 9.289 -3.326 -14.915 1.00 33.41 H new ATOM 1847 N CYS B 249 8.506 -0.973 -11.890 1.00 42.11 N ATOM 1848 CA CYS B 249 8.602 0.459 -11.902 1.00 42.01 C ATOM 1849 C CYS B 249 10.046 0.872 -11.788 1.00 33.20 C ATOM 1850 O CYS B 249 10.787 0.345 -10.970 1.00 64.34 O ATOM 1851 CB CYS B 249 7.746 1.115 -10.810 1.00 33.24 C ATOM 1852 SG CYS B 249 5.918 0.987 -11.011 1.00 1.22 S ATOM 0 H CYS B 249 8.399 -1.392 -10.966 1.00 42.11 H new ATOM 0 HA CYS B 249 8.203 0.813 -12.853 1.00 42.01 H new ATOM 0 HB2 CYS B 249 8.016 0.671 -9.852 1.00 33.24 H new ATOM 0 HB3 CYS B 249 8.010 2.171 -10.757 1.00 33.24 H new ATOM 1857 N ASP B 250 10.442 1.788 -12.616 1.00 44.42 N ATOM 1858 CA ASP B 250 11.799 2.241 -12.654 1.00 42.34 C ATOM 1859 C ASP B 250 11.880 3.741 -12.492 1.00 11.44 C ATOM 1860 O ASP B 250 11.426 4.476 -13.333 1.00 25.51 O ATOM 1861 CB ASP B 250 12.451 1.848 -13.964 1.00 53.24 C ATOM 1862 CG ASP B 250 13.871 2.315 -14.039 1.00 34.01 C ATOM 1863 OD1 ASP B 250 14.731 1.687 -13.406 1.00 1.32 O ATOM 1864 OD2 ASP B 250 14.131 3.322 -14.707 1.00 12.15 O ATOM 0 H ASP B 250 9.829 2.246 -13.290 1.00 44.42 H new ATOM 0 HA ASP B 250 12.326 1.768 -11.825 1.00 42.34 H new ATOM 0 HB2 ASP B 250 12.418 0.764 -14.076 1.00 53.24 H new ATOM 0 HB3 ASP B 250 11.885 2.271 -14.794 1.00 53.24 H new ATOM 1869 N PRO B 251 12.442 4.201 -11.399 1.00 43.23 N ATOM 1870 CA PRO B 251 12.630 5.629 -11.134 1.00 42.14 C ATOM 1871 C PRO B 251 13.920 6.171 -11.776 1.00 61.43 C ATOM 1872 O PRO B 251 14.419 7.228 -11.385 1.00 21.03 O ATOM 1873 CB PRO B 251 12.749 5.657 -9.621 1.00 34.44 C ATOM 1874 CG PRO B 251 13.412 4.368 -9.287 1.00 10.24 C ATOM 1875 CD PRO B 251 12.939 3.373 -10.315 1.00 64.23 C ATOM 0 HA PRO B 251 11.827 6.245 -11.540 1.00 42.14 H new ATOM 0 HB2 PRO B 251 13.339 6.509 -9.283 1.00 34.44 H new ATOM 0 HB3 PRO B 251 11.772 5.738 -9.145 1.00 34.44 H new ATOM 0 HG2 PRO B 251 14.497 4.470 -9.314 1.00 10.24 H new ATOM 0 HG3 PRO B 251 13.147 4.043 -8.281 1.00 10.24 H new ATOM 0 HD2 PRO B 251 13.750 2.725 -10.647 1.00 64.23 H new ATOM 0 HD3 PRO B 251 12.158 2.726 -9.915 1.00 64.23 H new