USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 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 Single : A 10 THR OG1 : rot 42:sc= 0.141 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0182 USER MOD Single : A 17 GLN : amide:sc= -0.61 K(o=-0.61,f=-1.6) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= 0.00253 (180deg=-2.73!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 42:sc= 0.505 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -21:sc= 1.25 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 THR OG1 : rot 32:sc= 0.302 USER MOD Single : B 213 SER OG : rot 32:sc= 0.17 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 180:sc= -0.0915 USER MOD Single : B 217 GLN : amide:sc= -0.739 K(o=-0.74,f=-2.4) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ 151:sc= 0.753 (180deg=-2.32!) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 45:sc= 0.246 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -50:sc= 1.49 USER MOD Single : B 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 10 -9.817 -10.317 -4.699 1.00 0.22 N ATOM 138 CA THR A 10 -8.420 -10.486 -4.497 1.00 72.43 C ATOM 139 C THR A 10 -7.605 -9.494 -5.303 1.00 41.10 C ATOM 140 O THR A 10 -7.748 -9.398 -6.518 1.00 52.22 O ATOM 141 CB THR A 10 -8.004 -11.927 -4.854 1.00 54.15 C ATOM 142 OG1 THR A 10 -8.782 -12.846 -4.065 1.00 43.15 O ATOM 143 CG2 THR A 10 -6.522 -12.158 -4.581 1.00 53.32 C ATOM 0 HA THR A 10 -8.216 -10.298 -3.443 1.00 72.43 H new ATOM 0 HB THR A 10 -8.183 -12.088 -5.917 1.00 54.15 H new ATOM 0 HG1 THR A 10 -9.714 -12.543 -4.034 1.00 43.15 H new ATOM 0 HG21 THR A 10 -6.259 -13.183 -4.843 1.00 53.32 H new ATOM 0 HG22 THR A 10 -5.930 -11.467 -5.181 1.00 53.32 H new ATOM 0 HG23 THR A 10 -6.316 -11.989 -3.524 1.00 53.32 H new ATOM 151 N CYS A 11 -6.771 -8.764 -4.627 1.00 31.20 N ATOM 152 CA CYS A 11 -5.851 -7.893 -5.275 1.00 62.24 C ATOM 153 C CYS A 11 -4.482 -8.301 -4.804 1.00 62.42 C ATOM 154 O CYS A 11 -4.319 -8.683 -3.639 1.00 71.21 O ATOM 155 CB CYS A 11 -6.104 -6.439 -4.869 1.00 72.42 C ATOM 156 SG CYS A 11 -7.821 -5.836 -5.117 1.00 42.42 S ATOM 0 H CYS A 11 -6.713 -8.759 -3.609 1.00 31.20 H new ATOM 0 HA CYS A 11 -5.954 -7.963 -6.358 1.00 62.24 H new ATOM 0 HB2 CYS A 11 -5.846 -6.324 -3.816 1.00 72.42 H new ATOM 0 HB3 CYS A 11 -5.427 -5.799 -5.435 1.00 72.42 H new ATOM 161 N VAL A 12 -3.507 -8.233 -5.646 1.00 13.21 N ATOM 162 CA VAL A 12 -2.187 -8.596 -5.237 1.00 65.42 C ATOM 163 C VAL A 12 -1.353 -7.337 -5.053 1.00 14.42 C ATOM 164 O VAL A 12 -1.363 -6.434 -5.899 1.00 4.23 O ATOM 165 CB VAL A 12 -1.524 -9.663 -6.181 1.00 74.11 C ATOM 166 CG1 VAL A 12 -2.279 -10.981 -6.104 1.00 63.41 C ATOM 167 CG2 VAL A 12 -1.493 -9.192 -7.621 1.00 3.00 C ATOM 0 H VAL A 12 -3.595 -7.932 -6.617 1.00 13.21 H new ATOM 0 HA VAL A 12 -2.245 -9.102 -4.274 1.00 65.42 H new ATOM 0 HB VAL A 12 -0.498 -9.804 -5.840 1.00 74.11 H new ATOM 0 HG11 VAL A 12 -1.807 -11.710 -6.764 1.00 63.41 H new ATOM 0 HG12 VAL A 12 -2.259 -11.353 -5.079 1.00 63.41 H new ATOM 0 HG13 VAL A 12 -3.313 -10.827 -6.414 1.00 63.41 H new ATOM 0 HG21 VAL A 12 -1.028 -9.956 -8.244 1.00 3.00 H new ATOM 0 HG22 VAL A 12 -2.511 -9.012 -7.967 1.00 3.00 H new ATOM 0 HG23 VAL A 12 -0.918 -8.268 -7.689 1.00 3.00 H new ATOM 177 N SER A 13 -0.674 -7.248 -3.950 1.00 72.33 N ATOM 178 CA SER A 13 0.023 -6.042 -3.621 1.00 0.22 C ATOM 179 C SER A 13 1.436 -6.292 -3.125 1.00 54.21 C ATOM 180 O SER A 13 1.696 -7.264 -2.406 1.00 62.44 O ATOM 181 CB SER A 13 -0.792 -5.271 -2.576 1.00 24.42 C ATOM 182 OG SER A 13 -1.114 -6.101 -1.460 1.00 0.31 O ATOM 0 H SER A 13 -0.588 -7.996 -3.262 1.00 72.33 H new ATOM 0 HA SER A 13 0.126 -5.452 -4.532 1.00 0.22 H new ATOM 0 HB2 SER A 13 -0.226 -4.404 -2.237 1.00 24.42 H new ATOM 0 HB3 SER A 13 -1.709 -4.895 -3.030 1.00 24.42 H new ATOM 0 HG SER A 13 -1.632 -5.585 -0.807 1.00 0.31 H new ATOM 188 N LEU A 14 2.342 -5.433 -3.540 1.00 62.31 N ATOM 189 CA LEU A 14 3.709 -5.442 -3.046 1.00 64.31 C ATOM 190 C LEU A 14 4.156 -4.069 -2.638 1.00 51.12 C ATOM 191 O LEU A 14 3.787 -3.063 -3.246 1.00 52.12 O ATOM 192 CB LEU A 14 4.708 -6.117 -3.992 1.00 22.32 C ATOM 193 CG LEU A 14 4.611 -7.640 -4.078 1.00 45.43 C ATOM 194 CD1 LEU A 14 5.565 -8.183 -5.106 1.00 3.51 C ATOM 195 CD2 LEU A 14 4.899 -8.278 -2.726 1.00 50.41 C ATOM 0 H LEU A 14 2.155 -4.706 -4.231 1.00 62.31 H new ATOM 0 HA LEU A 14 3.697 -6.068 -2.154 1.00 64.31 H new ATOM 0 HB2 LEU A 14 4.570 -5.705 -4.992 1.00 22.32 H new ATOM 0 HB3 LEU A 14 5.717 -5.852 -3.675 1.00 22.32 H new ATOM 0 HG LEU A 14 3.593 -7.888 -4.377 1.00 45.43 H new ATOM 0 HD11 LEU A 14 5.476 -9.269 -5.147 1.00 3.51 H new ATOM 0 HD12 LEU A 14 5.326 -7.762 -6.083 1.00 3.51 H new ATOM 0 HD13 LEU A 14 6.585 -7.913 -4.834 1.00 3.51 H new ATOM 0 HD21 LEU A 14 4.824 -9.362 -2.812 1.00 50.41 H new ATOM 0 HD22 LEU A 14 5.905 -8.008 -2.403 1.00 50.41 H new ATOM 0 HD23 LEU A 14 4.175 -7.921 -1.994 1.00 50.41 H new ATOM 207 N THR A 15 4.926 -4.034 -1.622 1.00 22.33 N ATOM 208 CA THR A 15 5.382 -2.818 -1.034 1.00 24.34 C ATOM 209 C THR A 15 6.900 -2.758 -1.133 1.00 12.15 C ATOM 210 O THR A 15 7.574 -3.786 -1.016 1.00 64.24 O ATOM 211 CB THR A 15 4.907 -2.729 0.438 1.00 42.13 C ATOM 212 OG1 THR A 15 3.478 -2.905 0.467 1.00 54.33 O ATOM 213 CG2 THR A 15 5.225 -1.372 1.024 1.00 30.32 C ATOM 0 H THR A 15 5.273 -4.872 -1.155 1.00 22.33 H new ATOM 0 HA THR A 15 4.964 -1.965 -1.567 1.00 24.34 H new ATOM 0 HB THR A 15 5.416 -3.498 1.019 1.00 42.13 H new ATOM 0 HG1 THR A 15 3.161 -2.853 1.393 1.00 54.33 H new ATOM 0 HG21 THR A 15 4.882 -1.333 2.058 1.00 30.32 H new ATOM 0 HG22 THR A 15 6.302 -1.205 0.992 1.00 30.32 H new ATOM 0 HG23 THR A 15 4.721 -0.598 0.445 1.00 30.32 H new ATOM 221 N THR A 16 7.422 -1.591 -1.385 1.00 12.54 N ATOM 222 CA THR A 16 8.830 -1.407 -1.572 1.00 23.12 C ATOM 223 C THR A 16 9.270 -0.158 -0.824 1.00 5.02 C ATOM 224 O THR A 16 8.418 0.636 -0.410 1.00 64.40 O ATOM 225 CB THR A 16 9.165 -1.285 -3.101 1.00 64.44 C ATOM 226 OG1 THR A 16 10.564 -1.072 -3.314 1.00 2.23 O ATOM 227 CG2 THR A 16 8.375 -0.154 -3.756 1.00 51.04 C ATOM 0 H THR A 16 6.875 -0.734 -1.467 1.00 12.54 H new ATOM 0 HA THR A 16 9.368 -2.270 -1.178 1.00 23.12 H new ATOM 0 HB THR A 16 8.878 -2.230 -3.562 1.00 64.44 H new ATOM 0 HG1 THR A 16 10.742 -1.002 -4.275 1.00 2.23 H new ATOM 0 HG21 THR A 16 8.631 -0.097 -4.814 1.00 51.04 H new ATOM 0 HG22 THR A 16 7.307 -0.347 -3.650 1.00 51.04 H new ATOM 0 HG23 THR A 16 8.622 0.791 -3.272 1.00 51.04 H new ATOM 235 N GLN A 17 10.583 -0.013 -0.607 1.00 75.30 N ATOM 236 CA GLN A 17 11.163 1.181 0.013 1.00 34.44 C ATOM 237 C GLN A 17 10.586 2.388 -0.748 1.00 53.54 C ATOM 238 O GLN A 17 10.633 2.414 -1.989 1.00 60.41 O ATOM 239 CB GLN A 17 12.712 1.101 -0.103 1.00 44.41 C ATOM 240 CG GLN A 17 13.539 2.072 0.774 1.00 24.31 C ATOM 241 CD GLN A 17 13.345 3.541 0.468 1.00 42.02 C ATOM 242 OE1 GLN A 17 12.489 4.203 1.045 1.00 50.32 O ATOM 243 NE2 GLN A 17 14.133 4.055 -0.436 1.00 25.11 N ATOM 0 H GLN A 17 11.272 -0.722 -0.857 1.00 75.30 H new ATOM 0 HA GLN A 17 10.923 1.269 1.073 1.00 34.44 H new ATOM 0 HB2 GLN A 17 13.017 0.083 0.141 1.00 44.41 H new ATOM 0 HB3 GLN A 17 12.982 1.274 -1.145 1.00 44.41 H new ATOM 0 HG2 GLN A 17 13.284 1.898 1.819 1.00 24.31 H new ATOM 0 HG3 GLN A 17 14.596 1.830 0.659 1.00 24.31 H new ATOM 0 HE21 GLN A 17 14.833 3.471 -0.894 1.00 25.11 H new ATOM 0 HE22 GLN A 17 14.049 5.041 -0.685 1.00 25.11 H new ATOM 252 N ARG A 18 10.045 3.354 0.004 1.00 45.03 N ATOM 253 CA ARG A 18 9.237 4.461 -0.544 1.00 12.32 C ATOM 254 C ARG A 18 9.859 5.125 -1.741 1.00 75.14 C ATOM 255 O ARG A 18 10.918 5.766 -1.646 1.00 32.42 O ATOM 256 CB ARG A 18 8.878 5.560 0.483 1.00 55.44 C ATOM 257 CG ARG A 18 8.076 5.134 1.711 1.00 30.20 C ATOM 258 CD ARG A 18 8.944 4.441 2.737 1.00 74.54 C ATOM 259 NE ARG A 18 10.044 5.310 3.171 1.00 22.12 N ATOM 260 CZ ARG A 18 11.083 4.919 3.912 1.00 2.31 C ATOM 261 NH1 ARG A 18 11.204 3.645 4.283 1.00 54.44 N ATOM 262 NH2 ARG A 18 12.004 5.795 4.271 1.00 24.43 N ATOM 0 H ARG A 18 10.154 3.394 1.017 1.00 45.03 H new ATOM 0 HA ARG A 18 8.320 3.955 -0.845 1.00 12.32 H new ATOM 0 HB2 ARG A 18 9.806 6.016 0.827 1.00 55.44 H new ATOM 0 HB3 ARG A 18 8.315 6.336 -0.036 1.00 55.44 H new ATOM 0 HG2 ARG A 18 7.609 6.010 2.162 1.00 30.20 H new ATOM 0 HG3 ARG A 18 7.271 4.466 1.405 1.00 30.20 H new ATOM 0 HD2 ARG A 18 8.339 4.157 3.598 1.00 74.54 H new ATOM 0 HD3 ARG A 18 9.348 3.521 2.314 1.00 74.54 H new ATOM 0 HE ARG A 18 10.012 6.288 2.884 1.00 22.12 H new ATOM 0 HH11 ARG A 18 10.500 2.963 4.001 1.00 54.44 H new ATOM 0 HH12 ARG A 18 12.000 3.352 4.849 1.00 54.44 H new ATOM 0 HH21 ARG A 18 11.921 6.770 3.982 1.00 24.43 H new ATOM 0 HH22 ARG A 18 12.798 5.497 4.837 1.00 24.43 H new ATOM 276 N LEU A 19 9.200 4.980 -2.845 1.00 70.23 N ATOM 277 CA LEU A 19 9.599 5.592 -4.063 1.00 12.22 C ATOM 278 C LEU A 19 8.526 6.609 -4.400 1.00 35.22 C ATOM 279 O LEU A 19 7.378 6.230 -4.632 1.00 53.14 O ATOM 280 CB LEU A 19 9.704 4.535 -5.175 1.00 54.41 C ATOM 281 CG LEU A 19 10.202 5.030 -6.538 1.00 30.14 C ATOM 282 CD1 LEU A 19 11.631 5.538 -6.436 1.00 33.21 C ATOM 283 CD2 LEU A 19 10.095 3.926 -7.582 1.00 72.44 C ATOM 0 H LEU A 19 8.351 4.420 -2.923 1.00 70.23 H new ATOM 0 HA LEU A 19 10.576 6.067 -3.970 1.00 12.22 H new ATOM 0 HB2 LEU A 19 10.372 3.744 -4.833 1.00 54.41 H new ATOM 0 HB3 LEU A 19 8.721 4.085 -5.313 1.00 54.41 H new ATOM 0 HG LEU A 19 9.568 5.859 -6.853 1.00 30.14 H new ATOM 0 HD11 LEU A 19 11.965 5.884 -7.414 1.00 33.21 H new ATOM 0 HD12 LEU A 19 11.674 6.363 -5.725 1.00 33.21 H new ATOM 0 HD13 LEU A 19 12.280 4.731 -6.096 1.00 33.21 H new ATOM 0 HD21 LEU A 19 10.453 4.297 -8.542 1.00 72.44 H new ATOM 0 HD22 LEU A 19 10.701 3.074 -7.274 1.00 72.44 H new ATOM 0 HD23 LEU A 19 9.054 3.616 -7.678 1.00 72.44 H new ATOM 295 N PRO A 20 8.853 7.912 -4.383 1.00 52.11 N ATOM 296 CA PRO A 20 7.869 8.966 -4.618 1.00 12.14 C ATOM 297 C PRO A 20 7.205 8.853 -5.984 1.00 63.01 C ATOM 298 O PRO A 20 7.866 8.560 -6.990 1.00 74.11 O ATOM 299 CB PRO A 20 8.696 10.258 -4.539 1.00 41.43 C ATOM 300 CG PRO A 20 10.109 9.827 -4.725 1.00 14.32 C ATOM 301 CD PRO A 20 10.197 8.459 -4.133 1.00 70.32 C ATOM 0 HA PRO A 20 7.052 8.918 -3.898 1.00 12.14 H new ATOM 0 HB2 PRO A 20 8.395 10.966 -5.311 1.00 41.43 H new ATOM 0 HB3 PRO A 20 8.559 10.756 -3.579 1.00 41.43 H new ATOM 0 HG2 PRO A 20 10.378 9.814 -5.781 1.00 14.32 H new ATOM 0 HG3 PRO A 20 10.796 10.513 -4.229 1.00 14.32 H new ATOM 0 HD2 PRO A 20 10.973 7.860 -4.610 1.00 70.32 H new ATOM 0 HD3 PRO A 20 10.429 8.492 -3.069 1.00 70.32 H new ATOM 309 N VAL A 21 5.921 9.116 -6.024 1.00 4.25 N ATOM 310 CA VAL A 21 5.157 9.053 -7.256 1.00 2.21 C ATOM 311 C VAL A 21 4.387 10.345 -7.403 1.00 52.51 C ATOM 312 O VAL A 21 4.037 10.971 -6.387 1.00 31.14 O ATOM 313 CB VAL A 21 4.157 7.839 -7.269 1.00 51.30 C ATOM 314 CG1 VAL A 21 4.884 6.522 -7.034 1.00 41.43 C ATOM 315 CG2 VAL A 21 3.029 8.011 -6.252 1.00 23.11 C ATOM 0 H VAL A 21 5.372 9.380 -5.206 1.00 4.25 H new ATOM 0 HA VAL A 21 5.848 8.912 -8.087 1.00 2.21 H new ATOM 0 HB VAL A 21 3.707 7.816 -8.262 1.00 51.30 H new ATOM 0 HG11 VAL A 21 4.166 5.702 -7.049 1.00 41.43 H new ATOM 0 HG12 VAL A 21 5.624 6.370 -7.819 1.00 41.43 H new ATOM 0 HG13 VAL A 21 5.383 6.550 -6.065 1.00 41.43 H new ATOM 0 HG21 VAL A 21 2.364 7.149 -6.297 1.00 23.11 H new ATOM 0 HG22 VAL A 21 3.451 8.091 -5.250 1.00 23.11 H new ATOM 0 HG23 VAL A 21 2.466 8.916 -6.482 1.00 23.11 H new ATOM 325 N SER A 22 4.160 10.790 -8.622 1.00 54.44 N ATOM 326 CA SER A 22 3.376 11.971 -8.801 1.00 3.24 C ATOM 327 C SER A 22 1.883 11.617 -8.687 1.00 3.31 C ATOM 328 O SER A 22 1.230 11.285 -9.690 1.00 74.05 O ATOM 329 CB SER A 22 3.704 12.667 -10.134 1.00 51.35 C ATOM 330 OG SER A 22 3.036 13.915 -10.244 1.00 31.44 O ATOM 0 H SER A 22 4.503 10.356 -9.479 1.00 54.44 H new ATOM 0 HA SER A 22 3.622 12.684 -8.014 1.00 3.24 H new ATOM 0 HB2 SER A 22 4.780 12.821 -10.211 1.00 51.35 H new ATOM 0 HB3 SER A 22 3.414 12.023 -10.964 1.00 51.35 H new ATOM 0 HG SER A 22 3.265 14.334 -11.100 1.00 31.44 H new ATOM 336 N ARG A 23 1.392 11.621 -7.430 1.00 52.35 N ATOM 337 CA ARG A 23 -0.003 11.309 -7.066 1.00 1.35 C ATOM 338 C ARG A 23 -0.342 9.825 -7.217 1.00 74.52 C ATOM 339 O ARG A 23 0.173 9.141 -8.093 1.00 24.24 O ATOM 340 CB ARG A 23 -1.006 12.190 -7.825 1.00 3.11 C ATOM 341 CG ARG A 23 -0.888 13.664 -7.489 1.00 25.55 C ATOM 342 CD ARG A 23 -1.815 14.515 -8.335 1.00 25.05 C ATOM 343 NE ARG A 23 -3.235 14.186 -8.168 1.00 1.13 N ATOM 344 CZ ARG A 23 -4.241 14.941 -8.639 1.00 1.45 C ATOM 345 NH1 ARG A 23 -3.979 16.075 -9.284 1.00 62.42 N ATOM 346 NH2 ARG A 23 -5.503 14.560 -8.462 1.00 12.25 N ATOM 0 H ARG A 23 1.971 11.847 -6.621 1.00 52.35 H new ATOM 0 HA ARG A 23 -0.093 11.543 -6.005 1.00 1.35 H new ATOM 0 HB2 ARG A 23 -0.858 12.056 -8.897 1.00 3.11 H new ATOM 0 HB3 ARG A 23 -2.018 11.853 -7.599 1.00 3.11 H new ATOM 0 HG2 ARG A 23 -1.119 13.815 -6.434 1.00 25.55 H new ATOM 0 HG3 ARG A 23 0.141 13.989 -7.640 1.00 25.55 H new ATOM 0 HD2 ARG A 23 -1.662 15.564 -8.082 1.00 25.05 H new ATOM 0 HD3 ARG A 23 -1.545 14.397 -9.384 1.00 25.05 H new ATOM 0 HE ARG A 23 -3.473 13.332 -7.664 1.00 1.13 H new ATOM 0 HH11 ARG A 23 -3.013 16.372 -9.421 1.00 62.42 H new ATOM 0 HH12 ARG A 23 -4.744 16.647 -9.641 1.00 62.42 H new ATOM 0 HH21 ARG A 23 -5.709 13.692 -7.967 1.00 12.25 H new ATOM 0 HH22 ARG A 23 -6.265 15.136 -8.821 1.00 12.25 H new ATOM 360 N ILE A 24 -1.199 9.335 -6.341 1.00 13.34 N ATOM 361 CA ILE A 24 -1.646 7.948 -6.393 1.00 11.02 C ATOM 362 C ILE A 24 -2.592 7.834 -7.568 1.00 74.45 C ATOM 363 O ILE A 24 -3.553 8.612 -7.687 1.00 1.01 O ATOM 364 CB ILE A 24 -2.412 7.546 -5.088 1.00 44.23 C ATOM 365 CG1 ILE A 24 -1.589 7.884 -3.814 1.00 20.34 C ATOM 366 CG2 ILE A 24 -2.775 6.059 -5.107 1.00 13.23 C ATOM 367 CD1 ILE A 24 -0.252 7.209 -3.713 1.00 61.13 C ATOM 0 H ILE A 24 -1.604 9.878 -5.578 1.00 13.34 H new ATOM 0 HA ILE A 24 -0.784 7.288 -6.492 1.00 11.02 H new ATOM 0 HB ILE A 24 -3.331 8.131 -5.057 1.00 44.23 H new ATOM 0 HG12 ILE A 24 -1.436 8.963 -3.776 1.00 20.34 H new ATOM 0 HG13 ILE A 24 -2.180 7.615 -2.938 1.00 20.34 H new ATOM 0 HG21 ILE A 24 -3.306 5.802 -4.191 1.00 13.23 H new ATOM 0 HG22 ILE A 24 -3.412 5.851 -5.966 1.00 13.23 H new ATOM 0 HG23 ILE A 24 -1.865 5.463 -5.178 1.00 13.23 H new ATOM 0 HD11 ILE A 24 0.240 7.512 -2.789 1.00 61.13 H new ATOM 0 HD12 ILE A 24 -0.389 6.128 -3.713 1.00 61.13 H new ATOM 0 HD13 ILE A 24 0.366 7.496 -4.564 1.00 61.13 H new ATOM 379 N LYS A 25 -2.327 6.915 -8.435 1.00 2.25 N ATOM 380 CA LYS A 25 -3.121 6.776 -9.619 1.00 21.21 C ATOM 381 C LYS A 25 -3.483 5.342 -9.834 1.00 34.42 C ATOM 382 O LYS A 25 -2.787 4.437 -9.352 1.00 45.44 O ATOM 383 CB LYS A 25 -2.350 7.334 -10.814 1.00 23.31 C ATOM 384 CG LYS A 25 -1.088 6.580 -11.133 1.00 31.13 C ATOM 385 CD LYS A 25 -0.153 7.409 -11.975 1.00 73.20 C ATOM 386 CE LYS A 25 0.276 8.611 -11.170 1.00 44.31 C ATOM 387 NZ LYS A 25 1.317 9.400 -11.793 1.00 62.32 N ATOM 0 H LYS A 25 -1.564 6.244 -8.349 1.00 2.25 H new ATOM 0 HA LYS A 25 -4.047 7.340 -9.506 1.00 21.21 H new ATOM 0 HB2 LYS A 25 -2.999 7.323 -11.690 1.00 23.31 H new ATOM 0 HB3 LYS A 25 -2.099 8.376 -10.617 1.00 23.31 H new ATOM 0 HG2 LYS A 25 -0.589 6.293 -10.207 1.00 31.13 H new ATOM 0 HG3 LYS A 25 -1.336 5.659 -11.660 1.00 31.13 H new ATOM 0 HD2 LYS A 25 0.716 6.820 -12.269 1.00 73.20 H new ATOM 0 HD3 LYS A 25 -0.649 7.725 -12.893 1.00 73.20 H new ATOM 0 HE2 LYS A 25 -0.592 9.247 -10.997 1.00 44.31 H new ATOM 0 HE3 LYS A 25 0.625 8.275 -10.194 1.00 44.31 H new ATOM 0 HZ1 LYS A 25 1.197 10.400 -11.534 1.00 62.32 H new ATOM 0 HZ2 LYS A 25 2.247 9.067 -11.467 1.00 62.32 H new ATOM 0 HZ3 LYS A 25 1.257 9.301 -12.826 1.00 62.32 H new ATOM 401 N THR A 26 -4.565 5.136 -10.525 1.00 34.20 N ATOM 402 CA THR A 26 -5.019 3.835 -10.841 1.00 53.51 C ATOM 403 C THR A 26 -5.179 3.657 -12.336 1.00 1.21 C ATOM 404 O THR A 26 -5.751 4.507 -13.023 1.00 20.41 O ATOM 405 CB THR A 26 -6.326 3.475 -10.094 1.00 34.51 C ATOM 406 OG1 THR A 26 -7.277 4.553 -10.190 1.00 34.44 O ATOM 407 CG2 THR A 26 -6.055 3.144 -8.638 1.00 21.41 C ATOM 0 H THR A 26 -5.158 5.884 -10.885 1.00 34.20 H new ATOM 0 HA THR A 26 -4.252 3.140 -10.498 1.00 53.51 H new ATOM 0 HB THR A 26 -6.747 2.590 -10.570 1.00 34.51 H new ATOM 0 HG1 THR A 26 -8.098 4.308 -9.714 1.00 34.44 H new ATOM 0 HG21 THR A 26 -6.993 2.896 -8.141 1.00 21.41 H new ATOM 0 HG22 THR A 26 -5.376 2.293 -8.579 1.00 21.41 H new ATOM 0 HG23 THR A 26 -5.601 4.005 -8.147 1.00 21.41 H new ATOM 415 N TYR A 27 -4.650 2.580 -12.834 1.00 42.04 N ATOM 416 CA TYR A 27 -4.767 2.225 -14.235 1.00 50.44 C ATOM 417 C TYR A 27 -5.691 1.091 -14.344 1.00 24.41 C ATOM 418 O TYR A 27 -5.689 0.227 -13.487 1.00 62.12 O ATOM 419 CB TYR A 27 -3.407 1.836 -14.826 1.00 2.25 C ATOM 420 CG TYR A 27 -2.493 2.991 -14.995 1.00 45.13 C ATOM 421 CD1 TYR A 27 -1.754 3.459 -13.939 1.00 25.33 C ATOM 422 CD2 TYR A 27 -2.385 3.632 -16.215 1.00 45.33 C ATOM 423 CE1 TYR A 27 -0.930 4.543 -14.086 1.00 55.11 C ATOM 424 CE2 TYR A 27 -1.564 4.721 -16.373 1.00 21.01 C ATOM 425 CZ TYR A 27 -0.835 5.173 -15.301 1.00 15.40 C ATOM 426 OH TYR A 27 -0.015 6.270 -15.441 1.00 70.14 O ATOM 0 H TYR A 27 -4.117 1.909 -12.281 1.00 42.04 H new ATOM 0 HA TYR A 27 -5.139 3.085 -14.792 1.00 50.44 H new ATOM 0 HB2 TYR A 27 -2.934 1.098 -14.178 1.00 2.25 H new ATOM 0 HB3 TYR A 27 -3.562 1.358 -15.793 1.00 2.25 H new ATOM 0 HD1 TYR A 27 -1.823 2.967 -12.980 1.00 25.33 H new ATOM 0 HD2 TYR A 27 -2.956 3.270 -17.058 1.00 45.33 H new ATOM 0 HE1 TYR A 27 -0.355 4.902 -13.245 1.00 55.11 H new ATOM 0 HE2 TYR A 27 -1.492 5.217 -17.330 1.00 21.01 H new ATOM 0 HH TYR A 27 -0.061 6.597 -16.364 1.00 70.14 H new ATOM 436 N THR A 28 -6.494 1.084 -15.354 1.00 50.03 N ATOM 437 CA THR A 28 -7.426 0.038 -15.494 1.00 5.15 C ATOM 438 C THR A 28 -7.198 -0.701 -16.804 1.00 43.54 C ATOM 439 O THR A 28 -7.168 -0.104 -17.880 1.00 11.13 O ATOM 440 CB THR A 28 -8.874 0.544 -15.387 1.00 40.24 C ATOM 441 OG1 THR A 28 -8.969 1.414 -14.240 1.00 62.12 O ATOM 442 CG2 THR A 28 -9.814 -0.637 -15.152 1.00 73.32 C ATOM 0 H THR A 28 -6.518 1.792 -16.088 1.00 50.03 H new ATOM 0 HA THR A 28 -7.271 -0.659 -14.671 1.00 5.15 H new ATOM 0 HB THR A 28 -9.146 1.065 -16.305 1.00 40.24 H new ATOM 0 HG1 THR A 28 -9.887 1.748 -14.158 1.00 62.12 H new ATOM 0 HG21 THR A 28 -10.840 -0.276 -15.076 1.00 73.32 H new ATOM 0 HG22 THR A 28 -9.736 -1.336 -15.985 1.00 73.32 H new ATOM 0 HG23 THR A 28 -9.538 -1.143 -14.227 1.00 73.32 H new ATOM 450 N ILE A 29 -7.003 -1.978 -16.682 1.00 44.53 N ATOM 451 CA ILE A 29 -6.795 -2.857 -17.791 1.00 45.55 C ATOM 452 C ILE A 29 -8.096 -3.583 -18.031 1.00 22.32 C ATOM 453 O ILE A 29 -8.812 -3.890 -17.090 1.00 14.21 O ATOM 454 CB ILE A 29 -5.686 -3.902 -17.463 1.00 71.00 C ATOM 455 CG1 ILE A 29 -4.395 -3.186 -17.070 1.00 64.25 C ATOM 456 CG2 ILE A 29 -5.443 -4.811 -18.664 1.00 12.20 C ATOM 457 CD1 ILE A 29 -3.292 -4.080 -16.579 1.00 64.24 C ATOM 0 H ILE A 29 -6.984 -2.452 -15.779 1.00 44.53 H new ATOM 0 HA ILE A 29 -6.482 -2.288 -18.666 1.00 45.55 H new ATOM 0 HB ILE A 29 -6.017 -4.516 -16.626 1.00 71.00 H new ATOM 0 HG12 ILE A 29 -4.031 -2.627 -17.932 1.00 64.25 H new ATOM 0 HG13 ILE A 29 -4.624 -2.458 -16.292 1.00 64.25 H new ATOM 0 HG21 ILE A 29 -4.666 -5.536 -18.421 1.00 12.20 H new ATOM 0 HG22 ILE A 29 -6.364 -5.337 -18.915 1.00 12.20 H new ATOM 0 HG23 ILE A 29 -5.125 -4.211 -19.516 1.00 12.20 H new ATOM 0 HD11 ILE A 29 -2.420 -3.477 -16.326 1.00 64.24 H new ATOM 0 HD12 ILE A 29 -3.628 -4.621 -15.694 1.00 64.24 H new ATOM 0 HD13 ILE A 29 -3.026 -4.792 -17.360 1.00 64.24 H new ATOM 469 N THR A 30 -8.410 -3.806 -19.248 1.00 63.24 N ATOM 470 CA THR A 30 -9.620 -4.472 -19.624 1.00 70.22 C ATOM 471 C THR A 30 -9.322 -5.527 -20.685 1.00 61.12 C ATOM 472 O THR A 30 -9.151 -5.203 -21.867 1.00 71.23 O ATOM 473 CB THR A 30 -10.702 -3.473 -20.122 1.00 55.31 C ATOM 474 OG1 THR A 30 -10.182 -2.683 -21.211 1.00 41.12 O ATOM 475 CG2 THR A 30 -11.162 -2.544 -19.001 1.00 61.44 C ATOM 0 H THR A 30 -7.828 -3.529 -20.038 1.00 63.24 H new ATOM 0 HA THR A 30 -10.025 -4.962 -18.738 1.00 70.22 H new ATOM 0 HB THR A 30 -11.558 -4.055 -20.462 1.00 55.31 H new ATOM 0 HG1 THR A 30 -9.668 -3.258 -21.816 1.00 41.12 H new ATOM 0 HG21 THR A 30 -11.918 -1.859 -19.384 1.00 61.44 H new ATOM 0 HG22 THR A 30 -11.586 -3.135 -18.189 1.00 61.44 H new ATOM 0 HG23 THR A 30 -10.311 -1.974 -18.629 1.00 61.44 H new ATOM 483 N GLU A 31 -9.211 -6.758 -20.264 1.00 24.14 N ATOM 484 CA GLU A 31 -8.928 -7.851 -21.165 1.00 30.23 C ATOM 485 C GLU A 31 -10.136 -8.754 -21.220 1.00 42.53 C ATOM 486 O GLU A 31 -10.400 -9.473 -20.264 1.00 31.15 O ATOM 487 CB GLU A 31 -7.784 -8.693 -20.645 1.00 24.13 C ATOM 488 CG GLU A 31 -6.475 -7.993 -20.349 1.00 73.21 C ATOM 489 CD GLU A 31 -5.538 -8.974 -19.765 1.00 72.13 C ATOM 490 OE1 GLU A 31 -5.602 -9.201 -18.563 1.00 75.14 O ATOM 491 OE2 GLU A 31 -4.779 -9.565 -20.531 1.00 5.20 O ATOM 0 H GLU A 31 -9.314 -7.035 -19.288 1.00 24.14 H new ATOM 0 HA GLU A 31 -8.677 -7.434 -22.140 1.00 30.23 H new ATOM 0 HB2 GLU A 31 -8.117 -9.183 -19.730 1.00 24.13 H new ATOM 0 HB3 GLU A 31 -7.587 -9.479 -21.374 1.00 24.13 H new ATOM 0 HG2 GLU A 31 -6.058 -7.569 -21.262 1.00 73.21 H new ATOM 0 HG3 GLU A 31 -6.636 -7.166 -19.658 1.00 73.21 H new ATOM 498 N GLY A 32 -10.882 -8.707 -22.289 1.00 62.43 N ATOM 499 CA GLY A 32 -12.031 -9.577 -22.396 1.00 14.12 C ATOM 500 C GLY A 32 -13.117 -9.216 -21.378 1.00 3.24 C ATOM 501 O GLY A 32 -13.842 -8.225 -21.548 1.00 24.53 O ATOM 0 H GLY A 32 -10.724 -8.091 -23.086 1.00 62.43 H new ATOM 0 HA2 GLY A 32 -12.442 -9.513 -23.403 1.00 14.12 H new ATOM 0 HA3 GLY A 32 -11.719 -10.610 -22.244 1.00 14.12 H new ATOM 505 N SER A 33 -13.207 -9.992 -20.316 1.00 71.13 N ATOM 506 CA SER A 33 -14.155 -9.746 -19.243 1.00 41.20 C ATOM 507 C SER A 33 -13.394 -9.491 -17.938 1.00 54.41 C ATOM 508 O SER A 33 -13.949 -9.547 -16.858 1.00 53.44 O ATOM 509 CB SER A 33 -15.087 -10.949 -19.094 1.00 73.23 C ATOM 510 OG SER A 33 -15.786 -11.202 -20.317 1.00 24.44 O ATOM 0 H SER A 33 -12.623 -10.815 -20.171 1.00 71.13 H new ATOM 0 HA SER A 33 -14.756 -8.867 -19.477 1.00 41.20 H new ATOM 0 HB2 SER A 33 -14.510 -11.829 -18.810 1.00 73.23 H new ATOM 0 HB3 SER A 33 -15.802 -10.764 -18.292 1.00 73.23 H new ATOM 0 HG SER A 33 -16.376 -11.976 -20.203 1.00 24.44 H new ATOM 516 N LEU A 34 -12.136 -9.161 -18.070 1.00 33.21 N ATOM 517 CA LEU A 34 -11.267 -8.956 -16.942 1.00 55.43 C ATOM 518 C LEU A 34 -10.892 -7.494 -16.834 1.00 33.20 C ATOM 519 O LEU A 34 -10.560 -6.853 -17.828 1.00 12.01 O ATOM 520 CB LEU A 34 -10.020 -9.877 -17.124 1.00 45.05 C ATOM 521 CG LEU A 34 -8.888 -9.907 -16.057 1.00 40.14 C ATOM 522 CD1 LEU A 34 -8.044 -8.638 -16.054 1.00 22.32 C ATOM 523 CD2 LEU A 34 -9.460 -10.175 -14.683 1.00 63.34 C ATOM 0 H LEU A 34 -11.682 -9.026 -18.973 1.00 33.21 H new ATOM 0 HA LEU A 34 -11.765 -9.219 -16.009 1.00 55.43 H new ATOM 0 HB2 LEU A 34 -10.388 -10.898 -17.228 1.00 45.05 H new ATOM 0 HB3 LEU A 34 -9.558 -9.606 -18.073 1.00 45.05 H new ATOM 0 HG LEU A 34 -8.220 -10.724 -16.329 1.00 40.14 H new ATOM 0 HD11 LEU A 34 -7.271 -8.717 -15.290 1.00 22.32 H new ATOM 0 HD12 LEU A 34 -7.577 -8.509 -17.030 1.00 22.32 H new ATOM 0 HD13 LEU A 34 -8.680 -7.779 -15.840 1.00 22.32 H new ATOM 0 HD21 LEU A 34 -8.653 -10.192 -13.950 1.00 63.34 H new ATOM 0 HD22 LEU A 34 -10.169 -9.388 -14.424 1.00 63.34 H new ATOM 0 HD23 LEU A 34 -9.971 -11.138 -14.683 1.00 63.34 H new ATOM 535 N ARG A 35 -10.997 -6.965 -15.638 1.00 20.42 N ATOM 536 CA ARG A 35 -10.568 -5.611 -15.352 1.00 71.11 C ATOM 537 C ARG A 35 -9.381 -5.685 -14.463 1.00 14.42 C ATOM 538 O ARG A 35 -9.298 -6.569 -13.665 1.00 32.01 O ATOM 539 CB ARG A 35 -11.645 -4.819 -14.623 1.00 74.30 C ATOM 540 CG ARG A 35 -12.878 -4.498 -15.426 1.00 24.21 C ATOM 541 CD ARG A 35 -13.887 -3.766 -14.557 1.00 1.45 C ATOM 542 NE ARG A 35 -13.368 -2.465 -14.062 1.00 43.41 N ATOM 543 CZ ARG A 35 -14.030 -1.647 -13.219 1.00 3.42 C ATOM 544 NH1 ARG A 35 -15.258 -1.956 -12.821 1.00 62.02 N ATOM 545 NH2 ARG A 35 -13.467 -0.509 -12.801 1.00 54.31 N ATOM 0 H ARG A 35 -11.382 -7.459 -14.833 1.00 20.42 H new ATOM 0 HA ARG A 35 -10.349 -5.113 -16.296 1.00 71.11 H new ATOM 0 HB2 ARG A 35 -11.946 -5.380 -13.738 1.00 74.30 H new ATOM 0 HB3 ARG A 35 -11.208 -3.884 -14.274 1.00 74.30 H new ATOM 0 HG2 ARG A 35 -12.612 -3.883 -16.286 1.00 24.21 H new ATOM 0 HG3 ARG A 35 -13.318 -5.416 -15.815 1.00 24.21 H new ATOM 0 HD2 ARG A 35 -14.800 -3.597 -15.128 1.00 1.45 H new ATOM 0 HD3 ARG A 35 -14.155 -4.394 -13.708 1.00 1.45 H new ATOM 0 HE ARG A 35 -12.446 -2.170 -14.382 1.00 43.41 H new ATOM 0 HH11 ARG A 35 -15.701 -2.813 -13.153 1.00 62.02 H new ATOM 0 HH12 ARG A 35 -15.758 -1.337 -12.183 1.00 62.02 H new ATOM 0 HH21 ARG A 35 -12.532 -0.256 -13.120 1.00 54.31 H new ATOM 0 HH22 ARG A 35 -13.973 0.106 -12.163 1.00 54.31 H new ATOM 559 N CYS A 36 -8.463 -4.810 -14.601 1.00 42.03 N ATOM 560 CA CYS A 36 -7.363 -4.809 -13.697 1.00 5.05 C ATOM 561 C CYS A 36 -7.074 -3.393 -13.292 1.00 24.35 C ATOM 562 O CYS A 36 -7.157 -2.511 -14.101 1.00 51.13 O ATOM 563 CB CYS A 36 -6.136 -5.452 -14.304 1.00 25.22 C ATOM 564 SG CYS A 36 -5.036 -6.173 -13.023 1.00 65.33 S ATOM 0 H CYS A 36 -8.442 -4.088 -15.321 1.00 42.03 H new ATOM 0 HA CYS A 36 -7.627 -5.401 -12.821 1.00 5.05 H new ATOM 0 HB2 CYS A 36 -6.442 -6.232 -15.001 1.00 25.22 H new ATOM 0 HB3 CYS A 36 -5.584 -4.709 -14.880 1.00 25.22 H new ATOM 569 N VAL A 37 -6.771 -3.178 -12.046 1.00 4.24 N ATOM 570 CA VAL A 37 -6.539 -1.852 -11.540 1.00 74.43 C ATOM 571 C VAL A 37 -5.170 -1.807 -10.882 1.00 1.22 C ATOM 572 O VAL A 37 -4.851 -2.660 -10.057 1.00 1.05 O ATOM 573 CB VAL A 37 -7.626 -1.453 -10.505 1.00 11.00 C ATOM 574 CG1 VAL A 37 -7.462 -0.020 -10.046 1.00 15.42 C ATOM 575 CG2 VAL A 37 -9.025 -1.693 -11.049 1.00 72.20 C ATOM 0 H VAL A 37 -6.677 -3.916 -11.349 1.00 4.24 H new ATOM 0 HA VAL A 37 -6.583 -1.147 -12.370 1.00 74.43 H new ATOM 0 HB VAL A 37 -7.491 -2.095 -9.635 1.00 11.00 H new ATOM 0 HG11 VAL A 37 -8.241 0.222 -9.323 1.00 15.42 H new ATOM 0 HG12 VAL A 37 -6.484 0.103 -9.581 1.00 15.42 H new ATOM 0 HG13 VAL A 37 -7.543 0.648 -10.903 1.00 15.42 H new ATOM 0 HG21 VAL A 37 -9.761 -1.403 -10.299 1.00 72.20 H new ATOM 0 HG22 VAL A 37 -9.172 -1.098 -11.951 1.00 72.20 H new ATOM 0 HG23 VAL A 37 -9.146 -2.750 -11.287 1.00 72.20 H new ATOM 585 N ILE A 38 -4.373 -0.838 -11.250 1.00 32.11 N ATOM 586 CA ILE A 38 -3.035 -0.710 -10.707 1.00 65.30 C ATOM 587 C ILE A 38 -2.921 0.577 -9.930 1.00 11.33 C ATOM 588 O ILE A 38 -3.104 1.651 -10.484 1.00 1.13 O ATOM 589 CB ILE A 38 -1.916 -0.710 -11.810 1.00 64.51 C ATOM 590 CG1 ILE A 38 -2.024 -1.905 -12.732 1.00 74.22 C ATOM 591 CG2 ILE A 38 -0.531 -0.661 -11.204 1.00 64.12 C ATOM 592 CD1 ILE A 38 -2.961 -1.691 -13.886 1.00 51.11 C ATOM 0 H ILE A 38 -4.625 -0.119 -11.928 1.00 32.11 H new ATOM 0 HA ILE A 38 -2.881 -1.580 -10.069 1.00 65.30 H new ATOM 0 HB ILE A 38 -2.074 0.194 -12.399 1.00 64.51 H new ATOM 0 HG12 ILE A 38 -1.034 -2.146 -13.119 1.00 74.22 H new ATOM 0 HG13 ILE A 38 -2.360 -2.768 -12.157 1.00 74.22 H new ATOM 0 HG21 ILE A 38 0.214 -0.663 -11.999 1.00 64.12 H new ATOM 0 HG22 ILE A 38 -0.426 0.247 -10.610 1.00 64.12 H new ATOM 0 HG23 ILE A 38 -0.382 -1.532 -10.566 1.00 64.12 H new ATOM 0 HD11 ILE A 38 -2.988 -2.588 -14.504 1.00 51.11 H new ATOM 0 HD12 ILE A 38 -3.961 -1.480 -13.508 1.00 51.11 H new ATOM 0 HD13 ILE A 38 -2.614 -0.849 -14.485 1.00 51.11 H new ATOM 604 N PHE A 39 -2.638 0.451 -8.663 1.00 45.21 N ATOM 605 CA PHE A 39 -2.427 1.578 -7.784 1.00 44.50 C ATOM 606 C PHE A 39 -0.966 1.835 -7.673 1.00 35.41 C ATOM 607 O PHE A 39 -0.218 0.968 -7.182 1.00 4.35 O ATOM 608 CB PHE A 39 -2.933 1.296 -6.363 1.00 64.44 C ATOM 609 CG PHE A 39 -4.406 1.128 -6.202 1.00 65.13 C ATOM 610 CD1 PHE A 39 -5.063 0.000 -6.667 1.00 3.00 C ATOM 611 CD2 PHE A 39 -5.136 2.115 -5.575 1.00 32.24 C ATOM 612 CE1 PHE A 39 -6.429 -0.132 -6.505 1.00 54.05 C ATOM 613 CE2 PHE A 39 -6.488 1.996 -5.409 1.00 72.42 C ATOM 614 CZ PHE A 39 -7.144 0.870 -5.876 1.00 14.34 C ATOM 0 H PHE A 39 -2.545 -0.453 -8.200 1.00 45.21 H new ATOM 0 HA PHE A 39 -2.969 2.425 -8.204 1.00 44.50 H new ATOM 0 HB2 PHE A 39 -2.445 0.391 -6.000 1.00 64.44 H new ATOM 0 HB3 PHE A 39 -2.610 2.113 -5.718 1.00 64.44 H new ATOM 0 HD1 PHE A 39 -4.503 -0.782 -7.160 1.00 3.00 H new ATOM 0 HD2 PHE A 39 -4.632 2.997 -5.209 1.00 32.24 H new ATOM 0 HE1 PHE A 39 -6.936 -1.014 -6.868 1.00 54.05 H new ATOM 0 HE2 PHE A 39 -7.043 2.779 -4.914 1.00 72.42 H new ATOM 0 HZ PHE A 39 -8.212 0.775 -5.749 1.00 14.34 H new ATOM 624 N ILE A 40 -0.536 2.965 -8.122 1.00 25.24 N ATOM 625 CA ILE A 40 0.831 3.317 -7.933 1.00 1.24 C ATOM 626 C ILE A 40 0.851 4.169 -6.717 1.00 4.00 C ATOM 627 O ILE A 40 0.204 5.224 -6.686 1.00 30.22 O ATOM 628 CB ILE A 40 1.410 4.135 -9.096 1.00 43.12 C ATOM 629 CG1 ILE A 40 0.893 3.591 -10.410 1.00 11.15 C ATOM 630 CG2 ILE A 40 2.931 4.089 -9.058 1.00 74.00 C ATOM 631 CD1 ILE A 40 1.556 4.162 -11.634 1.00 30.03 C ATOM 0 H ILE A 40 -1.103 3.654 -8.617 1.00 25.24 H new ATOM 0 HA ILE A 40 1.431 2.410 -7.858 1.00 1.24 H new ATOM 0 HB ILE A 40 1.094 5.174 -8.999 1.00 43.12 H new ATOM 0 HG12 ILE A 40 1.023 2.509 -10.415 1.00 11.15 H new ATOM 0 HG13 ILE A 40 -0.178 3.784 -10.471 1.00 11.15 H new ATOM 0 HG21 ILE A 40 3.333 4.672 -9.887 1.00 74.00 H new ATOM 0 HG22 ILE A 40 3.284 4.507 -8.115 1.00 74.00 H new ATOM 0 HG23 ILE A 40 3.266 3.055 -9.145 1.00 74.00 H new ATOM 0 HD11 ILE A 40 1.120 3.713 -12.527 1.00 30.03 H new ATOM 0 HD12 ILE A 40 1.405 5.241 -11.660 1.00 30.03 H new ATOM 0 HD13 ILE A 40 2.624 3.946 -11.603 1.00 30.03 H new ATOM 643 N THR A 41 1.524 3.736 -5.710 1.00 31.20 N ATOM 644 CA THR A 41 1.557 4.483 -4.521 1.00 10.14 C ATOM 645 C THR A 41 2.985 4.775 -4.176 1.00 3.22 C ATOM 646 O THR A 41 3.881 4.035 -4.573 1.00 42.42 O ATOM 647 CB THR A 41 0.856 3.756 -3.333 1.00 73.31 C ATOM 648 OG1 THR A 41 1.566 2.558 -2.983 1.00 61.20 O ATOM 649 CG2 THR A 41 -0.585 3.375 -3.670 1.00 55.22 C ATOM 0 H THR A 41 2.057 2.866 -5.694 1.00 31.20 H new ATOM 0 HA THR A 41 1.004 5.407 -4.689 1.00 10.14 H new ATOM 0 HB THR A 41 0.855 4.455 -2.497 1.00 73.31 H new ATOM 0 HG1 THR A 41 2.113 2.268 -3.743 1.00 61.20 H new ATOM 0 HG21 THR A 41 -1.037 2.871 -2.816 1.00 55.22 H new ATOM 0 HG22 THR A 41 -1.154 4.275 -3.903 1.00 55.22 H new ATOM 0 HG23 THR A 41 -0.593 2.707 -4.531 1.00 55.22 H new ATOM 657 N LYS A 42 3.209 5.826 -3.432 1.00 62.25 N ATOM 658 CA LYS A 42 4.567 6.191 -3.042 1.00 44.51 C ATOM 659 C LYS A 42 5.204 5.229 -2.018 1.00 31.33 C ATOM 660 O LYS A 42 6.328 5.433 -1.577 1.00 74.22 O ATOM 661 CB LYS A 42 4.705 7.698 -2.681 1.00 65.35 C ATOM 662 CG LYS A 42 3.667 8.288 -1.717 1.00 42.22 C ATOM 663 CD LYS A 42 3.717 7.692 -0.327 1.00 14.42 C ATOM 664 CE LYS A 42 2.721 8.400 0.581 1.00 30.23 C ATOM 665 NZ LYS A 42 2.751 7.898 1.966 1.00 31.25 N ATOM 0 H LYS A 42 2.481 6.448 -3.080 1.00 62.25 H new ATOM 0 HA LYS A 42 5.177 6.056 -3.935 1.00 44.51 H new ATOM 0 HB2 LYS A 42 5.693 7.852 -2.248 1.00 65.35 H new ATOM 0 HB3 LYS A 42 4.670 8.271 -3.607 1.00 65.35 H new ATOM 0 HG2 LYS A 42 3.821 9.365 -1.646 1.00 42.22 H new ATOM 0 HG3 LYS A 42 2.671 8.135 -2.132 1.00 42.22 H new ATOM 0 HD2 LYS A 42 3.488 6.627 -0.371 1.00 14.42 H new ATOM 0 HD3 LYS A 42 4.723 7.785 0.081 1.00 14.42 H new ATOM 0 HE2 LYS A 42 2.934 9.469 0.583 1.00 30.23 H new ATOM 0 HE3 LYS A 42 1.716 8.276 0.177 1.00 30.23 H new ATOM 0 HZ1 LYS A 42 2.053 8.416 2.538 1.00 31.25 H new ATOM 0 HZ2 LYS A 42 2.520 6.884 1.973 1.00 31.25 H new ATOM 0 HZ3 LYS A 42 3.700 8.040 2.366 1.00 31.25 H new ATOM 679 N ARG A 43 4.478 4.176 -1.665 1.00 3.02 N ATOM 680 CA ARG A 43 4.996 3.137 -0.803 1.00 5.11 C ATOM 681 C ARG A 43 5.095 1.800 -1.526 1.00 74.55 C ATOM 682 O ARG A 43 5.711 0.869 -1.031 1.00 43.32 O ATOM 683 CB ARG A 43 4.150 2.974 0.432 1.00 22.10 C ATOM 684 CG ARG A 43 4.197 4.149 1.372 1.00 52.02 C ATOM 685 CD ARG A 43 3.342 3.879 2.568 1.00 72.01 C ATOM 686 NE ARG A 43 3.789 2.694 3.306 1.00 40.40 N ATOM 687 CZ ARG A 43 3.027 1.621 3.573 1.00 30.23 C ATOM 688 NH1 ARG A 43 1.771 1.544 3.117 1.00 2.14 N ATOM 689 NH2 ARG A 43 3.534 0.621 4.279 1.00 64.35 N ATOM 0 H ARG A 43 3.517 4.024 -1.970 1.00 3.02 H new ATOM 0 HA ARG A 43 5.998 3.450 -0.509 1.00 5.11 H new ATOM 0 HB2 ARG A 43 3.116 2.805 0.131 1.00 22.10 H new ATOM 0 HB3 ARG A 43 4.476 2.082 0.967 1.00 22.10 H new ATOM 0 HG2 ARG A 43 5.225 4.335 1.684 1.00 52.02 H new ATOM 0 HG3 ARG A 43 3.850 5.048 0.862 1.00 52.02 H new ATOM 0 HD2 ARG A 43 3.359 4.746 3.229 1.00 72.01 H new ATOM 0 HD3 ARG A 43 2.308 3.740 2.251 1.00 72.01 H new ATOM 0 HE ARG A 43 4.752 2.684 3.642 1.00 40.40 H new ATOM 0 HH11 ARG A 43 1.383 2.305 2.560 1.00 2.14 H new ATOM 0 HH12 ARG A 43 1.202 0.724 3.326 1.00 2.14 H new ATOM 0 HH21 ARG A 43 4.496 0.670 4.615 1.00 64.35 H new ATOM 0 HH22 ARG A 43 2.962 -0.198 4.487 1.00 64.35 H new ATOM 703 N GLY A 44 4.498 1.697 -2.686 1.00 42.01 N ATOM 704 CA GLY A 44 4.532 0.437 -3.383 1.00 24.43 C ATOM 705 C GLY A 44 3.513 0.331 -4.479 1.00 41.21 C ATOM 706 O GLY A 44 2.931 1.336 -4.902 1.00 61.32 O ATOM 0 H GLY A 44 3.995 2.448 -3.158 1.00 42.01 H new ATOM 0 HA2 GLY A 44 5.526 0.292 -3.807 1.00 24.43 H new ATOM 0 HA3 GLY A 44 4.370 -0.369 -2.668 1.00 24.43 H new ATOM 710 N LEU A 45 3.266 -0.873 -4.922 1.00 10.11 N ATOM 711 CA LEU A 45 2.379 -1.099 -6.050 1.00 24.32 C ATOM 712 C LEU A 45 1.296 -2.098 -5.721 1.00 5.42 C ATOM 713 O LEU A 45 1.532 -3.096 -5.033 1.00 64.14 O ATOM 714 CB LEU A 45 3.200 -1.591 -7.233 1.00 23.20 C ATOM 715 CG LEU A 45 4.245 -0.611 -7.732 1.00 4.44 C ATOM 716 CD1 LEU A 45 5.217 -1.285 -8.673 1.00 14.30 C ATOM 717 CD2 LEU A 45 3.584 0.563 -8.426 1.00 20.32 C ATOM 0 H LEU A 45 3.665 -1.722 -4.521 1.00 10.11 H new ATOM 0 HA LEU A 45 1.888 -0.158 -6.296 1.00 24.32 H new ATOM 0 HB2 LEU A 45 3.697 -2.519 -6.951 1.00 23.20 H new ATOM 0 HB3 LEU A 45 2.523 -1.828 -8.054 1.00 23.20 H new ATOM 0 HG LEU A 45 4.799 -0.246 -6.867 1.00 4.44 H new ATOM 0 HD11 LEU A 45 5.955 -0.559 -9.015 1.00 14.30 H new ATOM 0 HD12 LEU A 45 5.722 -2.099 -8.153 1.00 14.30 H new ATOM 0 HD13 LEU A 45 4.676 -1.684 -9.531 1.00 14.30 H new ATOM 0 HD21 LEU A 45 4.349 1.256 -8.777 1.00 20.32 H new ATOM 0 HD22 LEU A 45 3.002 0.203 -9.275 1.00 20.32 H new ATOM 0 HD23 LEU A 45 2.925 1.075 -7.726 1.00 20.32 H new ATOM 729 N LYS A 46 0.122 -1.828 -6.200 1.00 40.41 N ATOM 730 CA LYS A 46 -1.000 -2.729 -6.020 1.00 63.32 C ATOM 731 C LYS A 46 -1.603 -3.022 -7.368 1.00 32.31 C ATOM 732 O LYS A 46 -1.992 -2.108 -8.076 1.00 70.22 O ATOM 733 CB LYS A 46 -2.113 -2.113 -5.169 1.00 32.40 C ATOM 734 CG LYS A 46 -3.197 -3.123 -4.798 1.00 61.33 C ATOM 735 CD LYS A 46 -4.486 -2.490 -4.273 1.00 24.01 C ATOM 736 CE LYS A 46 -4.258 -1.489 -3.157 1.00 53.53 C ATOM 737 NZ LYS A 46 -5.539 -1.081 -2.524 1.00 52.31 N ATOM 0 H LYS A 46 -0.097 -0.983 -6.727 1.00 40.41 H new ATOM 0 HA LYS A 46 -0.619 -3.621 -5.522 1.00 63.32 H new ATOM 0 HB2 LYS A 46 -1.681 -1.698 -4.258 1.00 32.40 H new ATOM 0 HB3 LYS A 46 -2.565 -1.284 -5.714 1.00 32.40 H new ATOM 0 HG2 LYS A 46 -3.432 -3.726 -5.675 1.00 61.33 H new ATOM 0 HG3 LYS A 46 -2.803 -3.801 -4.041 1.00 61.33 H new ATOM 0 HD2 LYS A 46 -4.999 -1.993 -5.097 1.00 24.01 H new ATOM 0 HD3 LYS A 46 -5.148 -3.278 -3.914 1.00 24.01 H new ATOM 0 HE2 LYS A 46 -3.601 -1.925 -2.404 1.00 53.53 H new ATOM 0 HE3 LYS A 46 -3.750 -0.610 -3.553 1.00 53.53 H new ATOM 0 HZ1 LYS A 46 -5.348 -0.396 -1.765 1.00 52.31 H new ATOM 0 HZ2 LYS A 46 -6.155 -0.644 -3.238 1.00 52.31 H new ATOM 0 HZ3 LYS A 46 -6.011 -1.917 -2.125 1.00 52.31 H new ATOM 751 N VAL A 47 -1.683 -4.253 -7.718 1.00 54.43 N ATOM 752 CA VAL A 47 -2.337 -4.626 -8.953 1.00 13.53 C ATOM 753 C VAL A 47 -3.516 -5.551 -8.650 1.00 45.40 C ATOM 754 O VAL A 47 -3.378 -6.576 -7.982 1.00 34.14 O ATOM 755 CB VAL A 47 -1.344 -5.217 -10.003 1.00 75.12 C ATOM 756 CG1 VAL A 47 -0.616 -6.429 -9.473 1.00 34.21 C ATOM 757 CG2 VAL A 47 -2.060 -5.547 -11.295 1.00 53.21 C ATOM 0 H VAL A 47 -1.309 -5.033 -7.178 1.00 54.43 H new ATOM 0 HA VAL A 47 -2.730 -3.725 -9.424 1.00 13.53 H new ATOM 0 HB VAL A 47 -0.596 -4.451 -10.206 1.00 75.12 H new ATOM 0 HG11 VAL A 47 0.064 -6.807 -10.236 1.00 34.21 H new ATOM 0 HG12 VAL A 47 -0.047 -6.152 -8.585 1.00 34.21 H new ATOM 0 HG13 VAL A 47 -1.338 -7.203 -9.215 1.00 34.21 H new ATOM 0 HG21 VAL A 47 -1.348 -5.957 -12.011 1.00 53.21 H new ATOM 0 HG22 VAL A 47 -2.842 -6.281 -11.100 1.00 53.21 H new ATOM 0 HG23 VAL A 47 -2.506 -4.641 -11.705 1.00 53.21 H new ATOM 767 N CYS A 48 -4.668 -5.167 -9.091 1.00 60.44 N ATOM 768 CA CYS A 48 -5.852 -5.893 -8.757 1.00 20.24 C ATOM 769 C CYS A 48 -6.654 -6.224 -9.990 1.00 31.54 C ATOM 770 O CYS A 48 -7.266 -5.346 -10.581 1.00 51.25 O ATOM 771 CB CYS A 48 -6.706 -5.054 -7.812 1.00 4.01 C ATOM 772 SG CYS A 48 -8.126 -5.940 -7.115 1.00 63.14 S ATOM 0 H CYS A 48 -4.817 -4.352 -9.686 1.00 60.44 H new ATOM 0 HA CYS A 48 -5.559 -6.826 -8.276 1.00 20.24 H new ATOM 0 HB2 CYS A 48 -6.079 -4.694 -6.996 1.00 4.01 H new ATOM 0 HB3 CYS A 48 -7.066 -4.176 -8.348 1.00 4.01 H new ATOM 777 N CYS A 49 -6.631 -7.459 -10.401 1.00 40.24 N ATOM 778 CA CYS A 49 -7.424 -7.858 -11.532 1.00 40.32 C ATOM 779 C CYS A 49 -8.740 -8.491 -11.045 1.00 0.01 C ATOM 780 O CYS A 49 -8.738 -9.318 -10.135 1.00 33.13 O ATOM 781 CB CYS A 49 -6.656 -8.822 -12.455 1.00 62.43 C ATOM 782 SG CYS A 49 -5.118 -8.197 -13.275 1.00 71.10 S ATOM 0 H CYS A 49 -6.078 -8.203 -9.976 1.00 40.24 H new ATOM 0 HA CYS A 49 -7.653 -6.970 -12.121 1.00 40.32 H new ATOM 0 HB2 CYS A 49 -6.389 -9.703 -11.871 1.00 62.43 H new ATOM 0 HB3 CYS A 49 -7.340 -9.153 -13.236 1.00 62.43 H new ATOM 787 N ASP A 50 -9.843 -8.088 -11.649 1.00 51.13 N ATOM 788 CA ASP A 50 -11.164 -8.581 -11.298 1.00 54.44 C ATOM 789 C ASP A 50 -11.901 -8.964 -12.567 1.00 41.25 C ATOM 790 O ASP A 50 -12.121 -8.124 -13.441 1.00 1.53 O ATOM 791 CB ASP A 50 -11.988 -7.511 -10.574 1.00 71.41 C ATOM 792 CG ASP A 50 -13.322 -8.051 -10.023 1.00 63.50 C ATOM 793 OD1 ASP A 50 -13.315 -8.772 -9.005 1.00 43.12 O ATOM 794 OD2 ASP A 50 -14.394 -7.755 -10.603 1.00 63.31 O ATOM 0 H ASP A 50 -9.848 -7.403 -12.404 1.00 51.13 H new ATOM 0 HA ASP A 50 -11.039 -9.438 -10.636 1.00 54.44 H new ATOM 0 HB2 ASP A 50 -11.400 -7.102 -9.752 1.00 71.41 H new ATOM 0 HB3 ASP A 50 -12.191 -6.689 -11.261 1.00 71.41 H new ATOM 799 N PRO A 51 -12.277 -10.226 -12.697 1.00 14.11 N ATOM 800 CA PRO A 51 -13.023 -10.749 -13.860 1.00 73.03 C ATOM 801 C PRO A 51 -14.513 -10.367 -13.803 1.00 32.11 C ATOM 802 O PRO A 51 -15.386 -11.165 -14.182 1.00 21.42 O ATOM 803 CB PRO A 51 -12.862 -12.259 -13.689 1.00 63.42 C ATOM 804 CG PRO A 51 -12.753 -12.451 -12.227 1.00 53.43 C ATOM 805 CD PRO A 51 -12.005 -11.262 -11.712 1.00 34.12 C ATOM 0 HA PRO A 51 -12.660 -10.357 -14.810 1.00 73.03 H new ATOM 0 HB2 PRO A 51 -13.716 -12.799 -14.099 1.00 63.42 H new ATOM 0 HB3 PRO A 51 -11.975 -12.626 -14.206 1.00 63.42 H new ATOM 0 HG2 PRO A 51 -13.739 -12.521 -11.768 1.00 53.43 H new ATOM 0 HG3 PRO A 51 -12.226 -13.376 -11.993 1.00 53.43 H new ATOM 0 HD2 PRO A 51 -12.351 -10.971 -10.720 1.00 34.12 H new ATOM 0 HD3 PRO A 51 -10.937 -11.466 -11.631 1.00 34.12 H new ATOM 1207 N THR B 210 13.337 -1.924 -10.391 1.00 23.24 N ATOM 1208 CA THR B 210 12.925 -3.014 -9.598 1.00 52.23 C ATOM 1209 C THR B 210 11.649 -3.584 -10.157 1.00 32.10 C ATOM 1210 O THR B 210 10.693 -2.843 -10.435 1.00 3.43 O ATOM 1211 CB THR B 210 12.667 -2.506 -8.162 1.00 45.31 C ATOM 1212 OG1 THR B 210 13.813 -1.745 -7.722 1.00 43.13 O ATOM 1213 CG2 THR B 210 12.436 -3.669 -7.201 1.00 24.20 C ATOM 0 HA THR B 210 13.695 -3.785 -9.593 1.00 52.23 H new ATOM 0 HB THR B 210 11.773 -1.883 -8.167 1.00 45.31 H new ATOM 0 HG1 THR B 210 14.228 -1.303 -8.492 1.00 43.13 H new ATOM 0 HG21 THR B 210 12.257 -3.282 -6.198 1.00 24.20 H new ATOM 0 HG22 THR B 210 11.570 -4.244 -7.528 1.00 24.20 H new ATOM 0 HG23 THR B 210 13.316 -4.312 -7.190 1.00 24.20 H new ATOM 1221 N CYS B 211 11.610 -4.873 -10.321 1.00 4.40 N ATOM 1222 CA CYS B 211 10.433 -5.463 -10.818 1.00 11.01 C ATOM 1223 C CYS B 211 9.947 -6.403 -9.766 1.00 52.43 C ATOM 1224 O CYS B 211 10.750 -7.042 -9.074 1.00 41.42 O ATOM 1225 CB CYS B 211 10.704 -6.278 -12.110 1.00 71.05 C ATOM 1226 SG CYS B 211 11.798 -5.504 -13.391 1.00 44.53 S ATOM 0 H CYS B 211 12.375 -5.517 -10.117 1.00 4.40 H new ATOM 0 HA CYS B 211 9.708 -4.685 -11.056 1.00 11.01 H new ATOM 0 HB2 CYS B 211 11.146 -7.231 -11.821 1.00 71.05 H new ATOM 0 HB3 CYS B 211 9.744 -6.500 -12.576 1.00 71.05 H new ATOM 1231 N VAL B 212 8.667 -6.477 -9.620 1.00 41.41 N ATOM 1232 CA VAL B 212 8.055 -7.383 -8.706 1.00 61.20 C ATOM 1233 C VAL B 212 6.961 -8.136 -9.428 1.00 23.42 C ATOM 1234 O VAL B 212 6.209 -7.548 -10.218 1.00 40.01 O ATOM 1235 CB VAL B 212 7.553 -6.698 -7.366 1.00 33.12 C ATOM 1236 CG1 VAL B 212 8.732 -6.189 -6.541 1.00 5.50 C ATOM 1237 CG2 VAL B 212 6.554 -5.547 -7.601 1.00 41.53 C ATOM 0 H VAL B 212 8.006 -5.901 -10.140 1.00 41.41 H new ATOM 0 HA VAL B 212 8.812 -8.089 -8.366 1.00 61.20 H new ATOM 0 HB VAL B 212 7.023 -7.477 -6.817 1.00 33.12 H new ATOM 0 HG11 VAL B 212 8.363 -5.723 -5.627 1.00 5.50 H new ATOM 0 HG12 VAL B 212 9.384 -7.024 -6.285 1.00 5.50 H new ATOM 0 HG13 VAL B 212 9.292 -5.456 -7.121 1.00 5.50 H new ATOM 0 HG21 VAL B 212 6.253 -5.125 -6.642 1.00 41.53 H new ATOM 0 HG22 VAL B 212 7.026 -4.773 -8.206 1.00 41.53 H new ATOM 0 HG23 VAL B 212 5.675 -5.928 -8.121 1.00 41.53 H new ATOM 1247 N SER B 213 6.890 -9.419 -9.221 1.00 14.30 N ATOM 1248 CA SER B 213 5.953 -10.213 -9.947 1.00 14.51 C ATOM 1249 C SER B 213 5.034 -10.962 -9.014 1.00 11.24 C ATOM 1250 O SER B 213 5.487 -11.700 -8.123 1.00 24.43 O ATOM 1251 CB SER B 213 6.684 -11.180 -10.881 1.00 11.00 C ATOM 1252 OG SER B 213 7.542 -12.052 -10.155 1.00 3.02 O ATOM 0 H SER B 213 7.469 -9.933 -8.557 1.00 14.30 H new ATOM 0 HA SER B 213 5.339 -9.545 -10.551 1.00 14.51 H new ATOM 0 HB2 SER B 213 5.957 -11.767 -11.442 1.00 11.00 H new ATOM 0 HB3 SER B 213 7.267 -10.615 -11.608 1.00 11.00 H new ATOM 0 HG SER B 213 7.154 -12.233 -9.273 1.00 3.02 H new ATOM 1258 N LEU B 214 3.776 -10.797 -9.231 1.00 14.44 N ATOM 1259 CA LEU B 214 2.760 -11.399 -8.434 1.00 71.42 C ATOM 1260 C LEU B 214 1.999 -12.399 -9.257 1.00 42.12 C ATOM 1261 O LEU B 214 1.405 -12.063 -10.279 1.00 53.40 O ATOM 1262 CB LEU B 214 1.866 -10.307 -7.881 1.00 72.22 C ATOM 1263 CG LEU B 214 2.539 -9.426 -6.833 1.00 1.14 C ATOM 1264 CD1 LEU B 214 1.734 -8.169 -6.564 1.00 11.45 C ATOM 1265 CD2 LEU B 214 2.698 -10.230 -5.552 1.00 12.30 C ATOM 0 H LEU B 214 3.412 -10.222 -9.991 1.00 14.44 H new ATOM 0 HA LEU B 214 3.194 -11.940 -7.593 1.00 71.42 H new ATOM 0 HB2 LEU B 214 1.525 -9.679 -8.704 1.00 72.22 H new ATOM 0 HB3 LEU B 214 0.980 -10.765 -7.441 1.00 72.22 H new ATOM 0 HG LEU B 214 3.514 -9.114 -7.207 1.00 1.14 H new ATOM 0 HD11 LEU B 214 2.243 -7.565 -5.813 1.00 11.45 H new ATOM 0 HD12 LEU B 214 1.636 -7.595 -7.486 1.00 11.45 H new ATOM 0 HD13 LEU B 214 0.744 -8.442 -6.200 1.00 11.45 H new ATOM 0 HD21 LEU B 214 3.178 -9.613 -4.792 1.00 12.30 H new ATOM 0 HD22 LEU B 214 1.717 -10.546 -5.196 1.00 12.30 H new ATOM 0 HD23 LEU B 214 3.313 -11.109 -5.748 1.00 12.30 H new ATOM 1277 N THR B 215 2.035 -13.622 -8.822 1.00 62.22 N ATOM 1278 CA THR B 215 1.439 -14.699 -9.543 1.00 73.31 C ATOM 1279 C THR B 215 0.072 -15.035 -8.936 1.00 20.04 C ATOM 1280 O THR B 215 -0.096 -15.024 -7.709 1.00 74.25 O ATOM 1281 CB THR B 215 2.382 -15.922 -9.519 1.00 4.15 C ATOM 1282 OG1 THR B 215 3.704 -15.491 -9.922 1.00 25.05 O ATOM 1283 CG2 THR B 215 1.910 -16.983 -10.495 1.00 42.43 C ATOM 0 H THR B 215 2.483 -13.900 -7.949 1.00 62.22 H new ATOM 0 HA THR B 215 1.284 -14.409 -10.582 1.00 73.31 H new ATOM 0 HB THR B 215 2.391 -16.341 -8.513 1.00 4.15 H new ATOM 0 HG1 THR B 215 4.315 -16.257 -9.910 1.00 25.05 H new ATOM 0 HG21 THR B 215 2.588 -17.835 -10.462 1.00 42.43 H new ATOM 0 HG22 THR B 215 0.906 -17.308 -10.222 1.00 42.43 H new ATOM 0 HG23 THR B 215 1.896 -16.569 -11.503 1.00 42.43 H new ATOM 1291 N THR B 216 -0.874 -15.319 -9.783 1.00 4.41 N ATOM 1292 CA THR B 216 -2.232 -15.561 -9.392 1.00 21.15 C ATOM 1293 C THR B 216 -2.704 -16.909 -9.944 1.00 30.43 C ATOM 1294 O THR B 216 -2.018 -17.511 -10.779 1.00 33.51 O ATOM 1295 CB THR B 216 -3.170 -14.388 -9.864 1.00 14.02 C ATOM 1296 OG1 THR B 216 -4.544 -14.635 -9.498 1.00 43.54 O ATOM 1297 CG2 THR B 216 -3.067 -14.158 -11.377 1.00 33.45 C ATOM 0 H THR B 216 -0.719 -15.390 -10.789 1.00 4.41 H new ATOM 0 HA THR B 216 -2.282 -15.600 -8.304 1.00 21.15 H new ATOM 0 HB THR B 216 -2.830 -13.486 -9.355 1.00 14.02 H new ATOM 0 HG1 THR B 216 -5.103 -13.890 -9.802 1.00 43.54 H new ATOM 0 HG21 THR B 216 -3.728 -13.341 -11.667 1.00 33.45 H new ATOM 0 HG22 THR B 216 -2.040 -13.903 -11.637 1.00 33.45 H new ATOM 0 HG23 THR B 216 -3.360 -15.066 -11.904 1.00 33.45 H new ATOM 1305 N GLN B 217 -3.830 -17.395 -9.418 1.00 22.54 N ATOM 1306 CA GLN B 217 -4.481 -18.636 -9.866 1.00 74.51 C ATOM 1307 C GLN B 217 -4.569 -18.580 -11.417 1.00 50.13 C ATOM 1308 O GLN B 217 -4.858 -17.519 -11.971 1.00 63.15 O ATOM 1309 CB GLN B 217 -5.893 -18.669 -9.206 1.00 62.55 C ATOM 1310 CG GLN B 217 -6.706 -19.987 -9.244 1.00 65.42 C ATOM 1311 CD GLN B 217 -7.095 -20.471 -10.622 1.00 32.22 C ATOM 1312 OE1 GLN B 217 -6.389 -21.255 -11.240 1.00 12.20 O ATOM 1313 NE2 GLN B 217 -8.201 -19.998 -11.114 1.00 74.33 N ATOM 0 H GLN B 217 -4.326 -16.933 -8.656 1.00 22.54 H new ATOM 0 HA GLN B 217 -3.936 -19.536 -9.583 1.00 74.51 H new ATOM 0 HB2 GLN B 217 -5.775 -18.385 -8.160 1.00 62.55 H new ATOM 0 HB3 GLN B 217 -6.497 -17.895 -9.680 1.00 62.55 H new ATOM 0 HG2 GLN B 217 -6.123 -20.767 -8.755 1.00 65.42 H new ATOM 0 HG3 GLN B 217 -7.614 -19.851 -8.656 1.00 65.42 H new ATOM 0 HE21 GLN B 217 -8.764 -19.346 -10.568 1.00 74.33 H new ATOM 0 HE22 GLN B 217 -8.506 -20.279 -12.046 1.00 74.33 H new ATOM 1322 N ARG B 218 -4.290 -19.713 -12.077 1.00 51.31 N ATOM 1323 CA ARG B 218 -4.202 -19.811 -13.551 1.00 1.04 C ATOM 1324 C ARG B 218 -5.439 -19.261 -14.267 1.00 4.11 C ATOM 1325 O ARG B 218 -6.445 -19.961 -14.450 1.00 40.23 O ATOM 1326 CB ARG B 218 -3.924 -21.259 -14.044 1.00 22.53 C ATOM 1327 CG ARG B 218 -2.571 -21.893 -13.648 1.00 62.40 C ATOM 1328 CD ARG B 218 -2.421 -22.105 -12.149 1.00 53.44 C ATOM 1329 NE ARG B 218 -3.493 -22.941 -11.598 1.00 71.04 N ATOM 1330 CZ ARG B 218 -3.711 -23.154 -10.293 1.00 30.04 C ATOM 1331 NH1 ARG B 218 -2.909 -22.615 -9.385 1.00 1.03 N ATOM 1332 NH2 ARG B 218 -4.728 -23.906 -9.909 1.00 54.05 N ATOM 0 H ARG B 218 -4.116 -20.599 -11.603 1.00 51.31 H new ATOM 0 HA ARG B 218 -3.349 -19.184 -13.813 1.00 1.04 H new ATOM 0 HB2 ARG B 218 -4.721 -21.902 -13.670 1.00 22.53 H new ATOM 0 HB3 ARG B 218 -3.994 -21.265 -15.132 1.00 22.53 H new ATOM 0 HG2 ARG B 218 -2.464 -22.852 -14.156 1.00 62.40 H new ATOM 0 HG3 ARG B 218 -1.761 -21.254 -14.000 1.00 62.40 H new ATOM 0 HD2 ARG B 218 -1.457 -22.571 -11.944 1.00 53.44 H new ATOM 0 HD3 ARG B 218 -2.421 -21.138 -11.645 1.00 53.44 H new ATOM 0 HE ARG B 218 -4.122 -23.396 -12.260 1.00 71.04 H new ATOM 0 HH11 ARG B 218 -2.123 -22.036 -9.679 1.00 1.03 H new ATOM 0 HH12 ARG B 218 -3.079 -22.780 -8.393 1.00 1.03 H new ATOM 0 HH21 ARG B 218 -5.345 -24.323 -10.606 1.00 54.05 H new ATOM 0 HH22 ARG B 218 -4.895 -24.069 -8.916 1.00 54.05 H new ATOM 1346 N LEU B 219 -5.352 -18.022 -14.648 1.00 33.22 N ATOM 1347 CA LEU B 219 -6.388 -17.335 -15.354 1.00 0.24 C ATOM 1348 C LEU B 219 -5.820 -16.926 -16.702 1.00 34.21 C ATOM 1349 O LEU B 219 -4.850 -16.176 -16.756 1.00 55.05 O ATOM 1350 CB LEU B 219 -6.808 -16.086 -14.555 1.00 21.32 C ATOM 1351 CG LEU B 219 -7.941 -15.232 -15.139 1.00 62.33 C ATOM 1352 CD1 LEU B 219 -9.241 -16.018 -15.193 1.00 23.41 C ATOM 1353 CD2 LEU B 219 -8.119 -13.956 -14.331 1.00 50.34 C ATOM 0 H LEU B 219 -4.531 -17.444 -14.469 1.00 33.22 H new ATOM 0 HA LEU B 219 -7.264 -17.970 -15.486 1.00 0.24 H new ATOM 0 HB2 LEU B 219 -7.106 -16.407 -13.557 1.00 21.32 H new ATOM 0 HB3 LEU B 219 -5.931 -15.450 -14.436 1.00 21.32 H new ATOM 0 HG LEU B 219 -7.669 -14.959 -16.159 1.00 62.33 H new ATOM 0 HD11 LEU B 219 -10.028 -15.391 -15.611 1.00 23.41 H new ATOM 0 HD12 LEU B 219 -9.108 -16.899 -15.821 1.00 23.41 H new ATOM 0 HD13 LEU B 219 -9.520 -16.329 -14.186 1.00 23.41 H new ATOM 0 HD21 LEU B 219 -8.927 -13.363 -14.760 1.00 50.34 H new ATOM 0 HD22 LEU B 219 -8.363 -14.210 -13.300 1.00 50.34 H new ATOM 0 HD23 LEU B 219 -7.194 -13.379 -14.353 1.00 50.34 H new ATOM 1365 N PRO B 220 -6.361 -17.450 -17.809 1.00 32.33 N ATOM 1366 CA PRO B 220 -5.863 -17.111 -19.131 1.00 73.42 C ATOM 1367 C PRO B 220 -6.124 -15.654 -19.459 1.00 43.42 C ATOM 1368 O PRO B 220 -7.193 -15.111 -19.156 1.00 21.14 O ATOM 1369 CB PRO B 220 -6.664 -18.026 -20.072 1.00 22.13 C ATOM 1370 CG PRO B 220 -7.892 -18.377 -19.307 1.00 53.32 C ATOM 1371 CD PRO B 220 -7.491 -18.395 -17.864 1.00 0.35 C ATOM 0 HA PRO B 220 -4.785 -17.249 -19.216 1.00 73.42 H new ATOM 0 HB2 PRO B 220 -6.910 -17.517 -21.004 1.00 22.13 H new ATOM 0 HB3 PRO B 220 -6.095 -18.917 -20.337 1.00 22.13 H new ATOM 0 HG2 PRO B 220 -8.683 -17.647 -19.483 1.00 53.32 H new ATOM 0 HG3 PRO B 220 -8.280 -19.348 -19.616 1.00 53.32 H new ATOM 0 HD2 PRO B 220 -8.309 -18.080 -17.216 1.00 0.35 H new ATOM 0 HD3 PRO B 220 -7.195 -19.393 -17.542 1.00 0.35 H new ATOM 1379 N VAL B 221 -5.173 -15.041 -20.084 1.00 30.52 N ATOM 1380 CA VAL B 221 -5.278 -13.664 -20.457 1.00 55.03 C ATOM 1381 C VAL B 221 -5.273 -13.591 -21.958 1.00 32.22 C ATOM 1382 O VAL B 221 -4.744 -14.504 -22.621 1.00 40.30 O ATOM 1383 CB VAL B 221 -4.101 -12.818 -19.872 1.00 20.11 C ATOM 1384 CG1 VAL B 221 -4.078 -12.907 -18.352 1.00 64.21 C ATOM 1385 CG2 VAL B 221 -2.756 -13.252 -20.450 1.00 24.11 C ATOM 0 H VAL B 221 -4.294 -15.483 -20.353 1.00 30.52 H new ATOM 0 HA VAL B 221 -6.201 -13.249 -20.052 1.00 55.03 H new ATOM 0 HB VAL B 221 -4.269 -11.780 -20.160 1.00 20.11 H new ATOM 0 HG11 VAL B 221 -3.251 -12.311 -17.965 1.00 64.21 H new ATOM 0 HG12 VAL B 221 -5.018 -12.527 -17.951 1.00 64.21 H new ATOM 0 HG13 VAL B 221 -3.948 -13.946 -18.050 1.00 64.21 H new ATOM 0 HG21 VAL B 221 -1.961 -12.642 -20.020 1.00 24.11 H new ATOM 0 HG22 VAL B 221 -2.578 -14.300 -20.210 1.00 24.11 H new ATOM 0 HG23 VAL B 221 -2.767 -13.124 -21.532 1.00 24.11 H new ATOM 1395 N SER B 222 -5.894 -12.592 -22.514 1.00 22.41 N ATOM 1396 CA SER B 222 -5.865 -12.438 -23.935 1.00 62.01 C ATOM 1397 C SER B 222 -4.487 -11.879 -24.368 1.00 63.24 C ATOM 1398 O SER B 222 -4.321 -10.667 -24.508 1.00 62.41 O ATOM 1399 CB SER B 222 -7.030 -11.545 -24.397 1.00 73.30 C ATOM 1400 OG SER B 222 -7.143 -11.484 -25.816 1.00 32.52 O ATOM 0 H SER B 222 -6.421 -11.879 -22.009 1.00 22.41 H new ATOM 0 HA SER B 222 -5.996 -13.407 -24.417 1.00 62.01 H new ATOM 0 HB2 SER B 222 -7.962 -11.924 -23.978 1.00 73.30 H new ATOM 0 HB3 SER B 222 -6.890 -10.538 -24.004 1.00 73.30 H new ATOM 0 HG SER B 222 -7.897 -10.907 -26.060 1.00 32.52 H new ATOM 1406 N ARG B 223 -3.495 -12.794 -24.491 1.00 25.11 N ATOM 1407 CA ARG B 223 -2.097 -12.486 -24.879 1.00 12.05 C ATOM 1408 C ARG B 223 -1.303 -11.785 -23.770 1.00 62.34 C ATOM 1409 O ARG B 223 -1.868 -11.218 -22.841 1.00 62.34 O ATOM 1410 CB ARG B 223 -2.011 -11.696 -26.187 1.00 22.55 C ATOM 1411 CG ARG B 223 -2.522 -12.450 -27.395 1.00 3.01 C ATOM 1412 CD ARG B 223 -2.451 -11.595 -28.640 1.00 24.32 C ATOM 1413 NE ARG B 223 -1.082 -11.161 -28.958 1.00 4.13 N ATOM 1414 CZ ARG B 223 -0.781 -10.157 -29.792 1.00 52.10 C ATOM 1415 NH1 ARG B 223 -1.754 -9.452 -30.378 1.00 64.04 N ATOM 1416 NH2 ARG B 223 0.487 -9.852 -30.036 1.00 12.12 N ATOM 0 H ARG B 223 -3.648 -13.788 -24.320 1.00 25.11 H new ATOM 0 HA ARG B 223 -1.630 -13.457 -25.044 1.00 12.05 H new ATOM 0 HB2 ARG B 223 -2.580 -10.773 -26.080 1.00 22.55 H new ATOM 0 HB3 ARG B 223 -0.973 -11.412 -26.361 1.00 22.55 H new ATOM 0 HG2 ARG B 223 -1.933 -13.356 -27.538 1.00 3.01 H new ATOM 0 HG3 ARG B 223 -3.552 -12.763 -27.223 1.00 3.01 H new ATOM 0 HD2 ARG B 223 -2.854 -12.156 -29.483 1.00 24.32 H new ATOM 0 HD3 ARG B 223 -3.084 -10.717 -28.509 1.00 24.32 H new ATOM 0 HE ARG B 223 -0.310 -11.658 -28.514 1.00 4.13 H new ATOM 0 HH11 ARG B 223 -2.731 -9.678 -30.191 1.00 64.04 H new ATOM 0 HH12 ARG B 223 -1.519 -8.688 -31.012 1.00 64.04 H new ATOM 0 HH21 ARG B 223 1.234 -10.382 -29.588 1.00 12.12 H new ATOM 0 HH22 ARG B 223 0.714 -9.087 -30.671 1.00 12.12 H new ATOM 1430 N ILE B 224 0.011 -11.845 -23.880 1.00 21.14 N ATOM 1431 CA ILE B 224 0.905 -11.200 -22.929 1.00 70.23 C ATOM 1432 C ILE B 224 1.049 -9.768 -23.393 1.00 61.12 C ATOM 1433 O ILE B 224 1.334 -9.514 -24.570 1.00 43.31 O ATOM 1434 CB ILE B 224 2.324 -11.871 -22.931 1.00 13.54 C ATOM 1435 CG1 ILE B 224 2.228 -13.412 -22.777 1.00 22.31 C ATOM 1436 CG2 ILE B 224 3.204 -11.283 -21.823 1.00 31.45 C ATOM 1437 CD1 ILE B 224 1.570 -13.896 -21.518 1.00 15.22 C ATOM 0 H ILE B 224 0.491 -12.342 -24.630 1.00 21.14 H new ATOM 0 HA ILE B 224 0.501 -11.280 -21.920 1.00 70.23 H new ATOM 0 HB ILE B 224 2.783 -11.658 -23.896 1.00 13.54 H new ATOM 0 HG12 ILE B 224 1.679 -13.811 -23.630 1.00 22.31 H new ATOM 0 HG13 ILE B 224 3.235 -13.828 -22.823 1.00 22.31 H new ATOM 0 HG21 ILE B 224 4.183 -11.762 -21.843 1.00 31.45 H new ATOM 0 HG22 ILE B 224 3.322 -10.211 -21.982 1.00 31.45 H new ATOM 0 HG23 ILE B 224 2.734 -11.457 -20.855 1.00 31.45 H new ATOM 0 HD11 ILE B 224 1.555 -14.986 -21.511 1.00 15.22 H new ATOM 0 HD12 ILE B 224 2.128 -13.535 -20.654 1.00 15.22 H new ATOM 0 HD13 ILE B 224 0.548 -13.519 -21.473 1.00 15.22 H new ATOM 1449 N LYS B 225 0.841 -8.845 -22.517 1.00 55.12 N ATOM 1450 CA LYS B 225 0.875 -7.461 -22.890 1.00 32.14 C ATOM 1451 C LYS B 225 1.636 -6.677 -21.859 1.00 11.11 C ATOM 1452 O LYS B 225 1.669 -7.059 -20.677 1.00 42.45 O ATOM 1453 CB LYS B 225 -0.568 -6.956 -23.027 1.00 3.22 C ATOM 1454 CG LYS B 225 -1.348 -6.990 -21.749 1.00 2.22 C ATOM 1455 CD LYS B 225 -2.826 -7.002 -22.021 1.00 42.51 C ATOM 1456 CE LYS B 225 -3.176 -8.299 -22.717 1.00 31.13 C ATOM 1457 NZ LYS B 225 -4.597 -8.480 -22.930 1.00 71.22 N ATOM 0 H LYS B 225 0.644 -9.019 -21.531 1.00 55.12 H new ATOM 0 HA LYS B 225 1.384 -7.334 -23.845 1.00 32.14 H new ATOM 0 HB2 LYS B 225 -0.550 -5.933 -23.403 1.00 3.22 H new ATOM 0 HB3 LYS B 225 -1.085 -7.561 -23.772 1.00 3.22 H new ATOM 0 HG2 LYS B 225 -1.073 -7.874 -21.174 1.00 2.22 H new ATOM 0 HG3 LYS B 225 -1.094 -6.122 -21.140 1.00 2.22 H new ATOM 0 HD2 LYS B 225 -3.383 -6.910 -21.089 1.00 42.51 H new ATOM 0 HD3 LYS B 225 -3.103 -6.151 -22.643 1.00 42.51 H new ATOM 0 HE2 LYS B 225 -2.666 -8.334 -23.680 1.00 31.13 H new ATOM 0 HE3 LYS B 225 -2.797 -9.132 -22.125 1.00 31.13 H new ATOM 0 HZ1 LYS B 225 -4.750 -9.062 -23.778 1.00 71.22 H new ATOM 0 HZ2 LYS B 225 -5.014 -8.955 -22.104 1.00 71.22 H new ATOM 0 HZ3 LYS B 225 -5.049 -7.553 -23.061 1.00 71.22 H new ATOM 1471 N THR B 226 2.267 -5.624 -22.290 1.00 5.12 N ATOM 1472 CA THR B 226 2.988 -4.768 -21.409 1.00 2.31 C ATOM 1473 C THR B 226 2.510 -3.341 -21.502 1.00 53.23 C ATOM 1474 O THR B 226 2.399 -2.774 -22.600 1.00 24.21 O ATOM 1475 CB THR B 226 4.516 -4.838 -21.623 1.00 74.24 C ATOM 1476 OG1 THR B 226 4.833 -4.791 -23.027 1.00 73.10 O ATOM 1477 CG2 THR B 226 5.138 -6.070 -20.967 1.00 53.03 C ATOM 0 H THR B 226 2.293 -5.338 -23.269 1.00 5.12 H new ATOM 0 HA THR B 226 2.784 -5.136 -20.404 1.00 2.31 H new ATOM 0 HB THR B 226 4.950 -3.965 -21.135 1.00 74.24 H new ATOM 0 HG1 THR B 226 5.805 -4.835 -23.145 1.00 73.10 H new ATOM 0 HG21 THR B 226 6.213 -6.074 -21.146 1.00 53.03 H new ATOM 0 HG22 THR B 226 4.949 -6.045 -19.894 1.00 53.03 H new ATOM 0 HG23 THR B 226 4.696 -6.971 -21.393 1.00 53.03 H new ATOM 1485 N TYR B 227 2.226 -2.778 -20.366 1.00 0.54 N ATOM 1486 CA TYR B 227 1.822 -1.400 -20.257 1.00 21.33 C ATOM 1487 C TYR B 227 2.937 -0.636 -19.637 1.00 61.20 C ATOM 1488 O TYR B 227 3.485 -1.061 -18.624 1.00 54.44 O ATOM 1489 CB TYR B 227 0.549 -1.268 -19.395 1.00 41.54 C ATOM 1490 CG TYR B 227 -0.679 -1.857 -20.044 1.00 30.21 C ATOM 1491 CD1 TYR B 227 -0.998 -3.197 -19.886 1.00 11.43 C ATOM 1492 CD2 TYR B 227 -1.515 -1.074 -20.827 1.00 72.13 C ATOM 1493 CE1 TYR B 227 -2.110 -3.737 -20.487 1.00 43.21 C ATOM 1494 CE2 TYR B 227 -2.631 -1.612 -21.434 1.00 21.23 C ATOM 1495 CZ TYR B 227 -2.921 -2.945 -21.259 1.00 21.15 C ATOM 1496 OH TYR B 227 -4.032 -3.493 -21.869 1.00 52.03 O ATOM 0 H TYR B 227 2.268 -3.267 -19.472 1.00 0.54 H new ATOM 0 HA TYR B 227 1.596 -1.006 -21.248 1.00 21.33 H new ATOM 0 HB2 TYR B 227 0.716 -1.760 -18.437 1.00 41.54 H new ATOM 0 HB3 TYR B 227 0.369 -0.214 -19.185 1.00 41.54 H new ATOM 0 HD1 TYR B 227 -0.363 -3.827 -19.281 1.00 11.43 H new ATOM 0 HD2 TYR B 227 -1.289 -0.027 -20.963 1.00 72.13 H new ATOM 0 HE1 TYR B 227 -2.345 -4.782 -20.352 1.00 43.21 H new ATOM 0 HE2 TYR B 227 -3.272 -0.991 -22.042 1.00 21.23 H new ATOM 0 HH TYR B 227 -4.501 -2.800 -22.379 1.00 52.03 H new ATOM 1506 N THR B 228 3.298 0.455 -20.233 1.00 24.31 N ATOM 1507 CA THR B 228 4.363 1.229 -19.712 1.00 33.01 C ATOM 1508 C THR B 228 3.816 2.515 -19.107 1.00 74.11 C ATOM 1509 O THR B 228 3.054 3.257 -19.746 1.00 41.55 O ATOM 1510 CB THR B 228 5.422 1.538 -20.791 1.00 21.14 C ATOM 1511 OG1 THR B 228 5.731 0.318 -21.486 1.00 42.54 O ATOM 1512 CG2 THR B 228 6.711 2.047 -20.139 1.00 43.54 C ATOM 0 H THR B 228 2.867 0.825 -21.080 1.00 24.31 H new ATOM 0 HA THR B 228 4.858 0.649 -18.933 1.00 33.01 H new ATOM 0 HB THR B 228 5.030 2.296 -21.470 1.00 21.14 H new ATOM 0 HG1 THR B 228 6.402 0.496 -22.177 1.00 42.54 H new ATOM 0 HG21 THR B 228 7.450 2.261 -20.912 1.00 43.54 H new ATOM 0 HG22 THR B 228 6.500 2.957 -19.577 1.00 43.54 H new ATOM 0 HG23 THR B 228 7.102 1.286 -19.464 1.00 43.54 H new ATOM 1520 N ILE B 229 4.174 2.736 -17.879 1.00 70.14 N ATOM 1521 CA ILE B 229 3.773 3.887 -17.134 1.00 14.03 C ATOM 1522 C ILE B 229 4.922 4.851 -17.094 1.00 22.45 C ATOM 1523 O ILE B 229 6.054 4.454 -16.891 1.00 73.03 O ATOM 1524 CB ILE B 229 3.410 3.501 -15.676 1.00 72.45 C ATOM 1525 CG1 ILE B 229 2.261 2.504 -15.657 1.00 40.51 C ATOM 1526 CG2 ILE B 229 3.057 4.740 -14.865 1.00 45.20 C ATOM 1527 CD1 ILE B 229 1.906 1.978 -14.307 1.00 74.33 C ATOM 0 H ILE B 229 4.772 2.099 -17.353 1.00 70.14 H new ATOM 0 HA ILE B 229 2.899 4.330 -17.612 1.00 14.03 H new ATOM 0 HB ILE B 229 4.281 3.030 -15.220 1.00 72.45 H new ATOM 0 HG12 ILE B 229 1.380 2.979 -16.089 1.00 40.51 H new ATOM 0 HG13 ILE B 229 2.518 1.664 -16.302 1.00 40.51 H new ATOM 0 HG21 ILE B 229 2.805 4.448 -13.845 1.00 45.20 H new ATOM 0 HG22 ILE B 229 3.910 5.419 -14.848 1.00 45.20 H new ATOM 0 HG23 ILE B 229 2.203 5.242 -15.320 1.00 45.20 H new ATOM 0 HD11 ILE B 229 1.077 1.276 -14.397 1.00 74.33 H new ATOM 0 HD12 ILE B 229 2.768 1.469 -13.877 1.00 74.33 H new ATOM 0 HD13 ILE B 229 1.613 2.805 -13.660 1.00 74.33 H new ATOM 1539 N THR B 230 4.636 6.073 -17.307 1.00 74.10 N ATOM 1540 CA THR B 230 5.614 7.105 -17.255 1.00 42.42 C ATOM 1541 C THR B 230 5.080 8.277 -16.447 1.00 13.01 C ATOM 1542 O THR B 230 4.369 9.137 -16.965 1.00 21.52 O ATOM 1543 CB THR B 230 6.096 7.553 -18.673 1.00 1.25 C ATOM 1544 OG1 THR B 230 4.971 7.899 -19.496 1.00 13.44 O ATOM 1545 CG2 THR B 230 6.903 6.454 -19.366 1.00 71.45 C ATOM 0 H THR B 230 3.696 6.402 -17.528 1.00 74.10 H new ATOM 0 HA THR B 230 6.497 6.704 -16.757 1.00 42.42 H new ATOM 0 HB THR B 230 6.738 8.423 -18.537 1.00 1.25 H new ATOM 0 HG1 THR B 230 4.347 8.452 -18.981 1.00 13.44 H new ATOM 0 HG21 THR B 230 7.221 6.801 -20.349 1.00 71.45 H new ATOM 0 HG22 THR B 230 7.780 6.213 -18.765 1.00 71.45 H new ATOM 0 HG23 THR B 230 6.284 5.564 -19.478 1.00 71.45 H new ATOM 1553 N GLU B 231 5.351 8.259 -15.165 1.00 45.55 N ATOM 1554 CA GLU B 231 4.896 9.310 -14.281 1.00 63.24 C ATOM 1555 C GLU B 231 6.010 10.293 -14.113 1.00 61.21 C ATOM 1556 O GLU B 231 6.915 10.038 -13.318 1.00 14.23 O ATOM 1557 CB GLU B 231 4.647 8.764 -12.902 1.00 12.23 C ATOM 1558 CG GLU B 231 3.737 7.588 -12.772 1.00 72.13 C ATOM 1559 CD GLU B 231 3.792 7.122 -11.369 1.00 60.22 C ATOM 1560 OE1 GLU B 231 3.014 7.626 -10.569 1.00 42.52 O ATOM 1561 OE2 GLU B 231 4.658 6.307 -11.055 1.00 24.14 O ATOM 0 H GLU B 231 5.888 7.524 -14.706 1.00 45.55 H new ATOM 0 HA GLU B 231 3.992 9.747 -14.704 1.00 63.24 H new ATOM 0 HB2 GLU B 231 5.610 8.491 -12.471 1.00 12.23 H new ATOM 0 HB3 GLU B 231 4.241 9.570 -12.291 1.00 12.23 H new ATOM 0 HG2 GLU B 231 2.718 7.863 -13.043 1.00 72.13 H new ATOM 0 HG3 GLU B 231 4.043 6.792 -13.451 1.00 72.13 H new ATOM 1568 N GLY B 232 5.977 11.392 -14.823 1.00 31.14 N ATOM 1569 CA GLY B 232 7.051 12.346 -14.693 1.00 73.22 C ATOM 1570 C GLY B 232 8.384 11.709 -15.074 1.00 41.21 C ATOM 1571 O GLY B 232 8.616 11.362 -16.233 1.00 60.55 O ATOM 0 H GLY B 232 5.240 11.646 -15.481 1.00 31.14 H new ATOM 0 HA2 GLY B 232 6.858 13.208 -15.331 1.00 73.22 H new ATOM 0 HA3 GLY B 232 7.097 12.713 -13.668 1.00 73.22 H new ATOM 1575 N SER B 233 9.224 11.516 -14.101 1.00 1.25 N ATOM 1576 CA SER B 233 10.466 10.845 -14.297 1.00 42.43 C ATOM 1577 C SER B 233 10.336 9.407 -13.772 1.00 2.05 C ATOM 1578 O SER B 233 10.783 9.100 -12.658 1.00 74.20 O ATOM 1579 CB SER B 233 11.580 11.578 -13.554 1.00 33.43 C ATOM 1580 OG SER B 233 11.621 12.967 -13.914 1.00 24.04 O ATOM 0 H SER B 233 9.061 11.824 -13.142 1.00 1.25 H new ATOM 0 HA SER B 233 10.715 10.829 -15.358 1.00 42.43 H new ATOM 0 HB2 SER B 233 11.427 11.483 -12.479 1.00 33.43 H new ATOM 0 HB3 SER B 233 12.539 11.113 -13.781 1.00 33.43 H new ATOM 0 HG SER B 233 12.343 13.411 -13.422 1.00 24.04 H new ATOM 1586 N LEU B 234 9.639 8.560 -14.526 1.00 62.23 N ATOM 1587 CA LEU B 234 9.405 7.190 -14.110 1.00 33.01 C ATOM 1588 C LEU B 234 9.026 6.342 -15.318 1.00 21.42 C ATOM 1589 O LEU B 234 8.314 6.801 -16.188 1.00 73.34 O ATOM 1590 CB LEU B 234 8.280 7.183 -13.009 1.00 40.34 C ATOM 1591 CG LEU B 234 7.880 5.857 -12.289 1.00 64.34 C ATOM 1592 CD1 LEU B 234 7.154 4.876 -13.189 1.00 15.33 C ATOM 1593 CD2 LEU B 234 9.083 5.211 -11.629 1.00 4.30 C ATOM 0 H LEU B 234 9.229 8.804 -15.427 1.00 62.23 H new ATOM 0 HA LEU B 234 10.309 6.758 -13.682 1.00 33.01 H new ATOM 0 HB2 LEU B 234 8.583 7.889 -12.236 1.00 40.34 H new ATOM 0 HB3 LEU B 234 7.377 7.583 -13.470 1.00 40.34 H new ATOM 0 HG LEU B 234 7.166 6.136 -11.514 1.00 64.34 H new ATOM 0 HD11 LEU B 234 6.906 3.978 -12.623 1.00 15.33 H new ATOM 0 HD12 LEU B 234 6.238 5.334 -13.562 1.00 15.33 H new ATOM 0 HD13 LEU B 234 7.795 4.610 -14.030 1.00 15.33 H new ATOM 0 HD21 LEU B 234 8.776 4.289 -11.135 1.00 4.30 H new ATOM 0 HD22 LEU B 234 9.835 4.984 -12.385 1.00 4.30 H new ATOM 0 HD23 LEU B 234 9.504 5.895 -10.892 1.00 4.30 H new ATOM 1605 N ARG B 235 9.546 5.144 -15.369 1.00 61.05 N ATOM 1606 CA ARG B 235 9.146 4.136 -16.348 1.00 60.41 C ATOM 1607 C ARG B 235 8.675 2.921 -15.621 1.00 22.04 C ATOM 1608 O ARG B 235 9.357 2.440 -14.763 1.00 44.15 O ATOM 1609 CB ARG B 235 10.296 3.718 -17.246 1.00 53.34 C ATOM 1610 CG ARG B 235 10.690 4.708 -18.299 1.00 54.13 C ATOM 1611 CD ARG B 235 11.870 4.181 -19.089 1.00 13.53 C ATOM 1612 NE ARG B 235 11.621 2.833 -19.652 1.00 42.13 N ATOM 1613 CZ ARG B 235 11.991 2.410 -20.874 1.00 71.14 C ATOM 1614 NH1 ARG B 235 12.533 3.239 -21.747 1.00 63.12 N ATOM 1615 NH2 ARG B 235 11.801 1.149 -21.218 1.00 42.04 N ATOM 0 H ARG B 235 10.271 4.824 -14.727 1.00 61.05 H new ATOM 0 HA ARG B 235 8.363 4.573 -16.967 1.00 60.41 H new ATOM 0 HB2 ARG B 235 11.166 3.514 -16.621 1.00 53.34 H new ATOM 0 HB3 ARG B 235 10.029 2.781 -17.735 1.00 53.34 H new ATOM 0 HG2 ARG B 235 9.849 4.895 -18.967 1.00 54.13 H new ATOM 0 HG3 ARG B 235 10.948 5.661 -17.836 1.00 54.13 H new ATOM 0 HD2 ARG B 235 12.098 4.873 -19.900 1.00 13.53 H new ATOM 0 HD3 ARG B 235 12.748 4.145 -18.444 1.00 13.53 H new ATOM 0 HE ARG B 235 11.125 2.167 -19.060 1.00 42.13 H new ATOM 0 HH11 ARG B 235 12.677 4.218 -21.499 1.00 63.12 H new ATOM 0 HH12 ARG B 235 12.808 2.901 -22.669 1.00 63.12 H new ATOM 0 HH21 ARG B 235 11.375 0.499 -20.558 1.00 42.04 H new ATOM 0 HH22 ARG B 235 12.081 0.825 -22.144 1.00 42.04 H new ATOM 1629 N CYS B 236 7.530 2.442 -15.931 1.00 53.54 N ATOM 1630 CA CYS B 236 7.060 1.254 -15.284 1.00 62.32 C ATOM 1631 C CYS B 236 6.513 0.339 -16.328 1.00 73.32 C ATOM 1632 O CYS B 236 5.848 0.784 -17.226 1.00 22.41 O ATOM 1633 CB CYS B 236 5.979 1.552 -14.267 1.00 4.30 C ATOM 1634 SG CYS B 236 5.900 0.282 -12.947 1.00 44.50 S ATOM 0 H CYS B 236 6.896 2.843 -16.623 1.00 53.54 H new ATOM 0 HA CYS B 236 7.894 0.796 -14.752 1.00 62.32 H new ATOM 0 HB2 CYS B 236 6.164 2.528 -13.819 1.00 4.30 H new ATOM 0 HB3 CYS B 236 5.014 1.610 -14.771 1.00 4.30 H new ATOM 1639 N VAL B 237 6.797 -0.912 -16.225 1.00 32.12 N ATOM 1640 CA VAL B 237 6.348 -1.864 -17.197 1.00 43.00 C ATOM 1641 C VAL B 237 5.509 -2.919 -16.502 1.00 43.24 C ATOM 1642 O VAL B 237 5.914 -3.452 -15.473 1.00 53.23 O ATOM 1643 CB VAL B 237 7.546 -2.539 -17.910 1.00 20.32 C ATOM 1644 CG1 VAL B 237 7.084 -3.461 -19.017 1.00 34.14 C ATOM 1645 CG2 VAL B 237 8.535 -1.505 -18.426 1.00 34.30 C ATOM 0 H VAL B 237 7.348 -1.311 -15.465 1.00 32.12 H new ATOM 0 HA VAL B 237 5.754 -1.345 -17.949 1.00 43.00 H new ATOM 0 HB VAL B 237 8.064 -3.151 -17.172 1.00 20.32 H new ATOM 0 HG11 VAL B 237 7.950 -3.917 -19.496 1.00 34.14 H new ATOM 0 HG12 VAL B 237 6.447 -4.241 -18.599 1.00 34.14 H new ATOM 0 HG13 VAL B 237 6.521 -2.890 -19.755 1.00 34.14 H new ATOM 0 HG21 VAL B 237 9.364 -2.010 -18.921 1.00 34.30 H new ATOM 0 HG22 VAL B 237 8.035 -0.846 -19.136 1.00 34.30 H new ATOM 0 HG23 VAL B 237 8.915 -0.917 -17.591 1.00 34.30 H new ATOM 1655 N ILE B 238 4.353 -3.192 -17.044 1.00 43.23 N ATOM 1656 CA ILE B 238 3.459 -4.176 -16.478 1.00 41.34 C ATOM 1657 C ILE B 238 3.280 -5.316 -17.467 1.00 35.12 C ATOM 1658 O ILE B 238 2.790 -5.106 -18.563 1.00 13.31 O ATOM 1659 CB ILE B 238 2.056 -3.559 -16.214 1.00 11.02 C ATOM 1660 CG1 ILE B 238 2.162 -2.330 -15.305 1.00 1.04 C ATOM 1661 CG2 ILE B 238 1.113 -4.602 -15.597 1.00 53.10 C ATOM 1662 CD1 ILE B 238 0.846 -1.613 -15.106 1.00 51.41 C ATOM 0 H ILE B 238 4.001 -2.742 -17.889 1.00 43.23 H new ATOM 0 HA ILE B 238 3.890 -4.528 -15.541 1.00 41.34 H new ATOM 0 HB ILE B 238 1.642 -3.241 -17.171 1.00 11.02 H new ATOM 0 HG12 ILE B 238 2.549 -2.638 -14.334 1.00 1.04 H new ATOM 0 HG13 ILE B 238 2.885 -1.634 -15.730 1.00 1.04 H new ATOM 0 HG21 ILE B 238 0.137 -4.150 -15.420 1.00 53.10 H new ATOM 0 HG22 ILE B 238 1.005 -5.444 -16.281 1.00 53.10 H new ATOM 0 HG23 ILE B 238 1.527 -4.953 -14.652 1.00 53.10 H new ATOM 0 HD11 ILE B 238 0.995 -0.754 -14.452 1.00 51.41 H new ATOM 0 HD12 ILE B 238 0.467 -1.274 -16.070 1.00 51.41 H new ATOM 0 HD13 ILE B 238 0.126 -2.294 -14.652 1.00 51.41 H new ATOM 1674 N PHE B 239 3.682 -6.493 -17.068 1.00 34.21 N ATOM 1675 CA PHE B 239 3.530 -7.704 -17.858 1.00 43.03 C ATOM 1676 C PHE B 239 2.340 -8.458 -17.387 1.00 34.41 C ATOM 1677 O PHE B 239 2.303 -8.879 -16.228 1.00 31.23 O ATOM 1678 CB PHE B 239 4.718 -8.653 -17.674 1.00 15.13 C ATOM 1679 CG PHE B 239 6.018 -8.240 -18.264 1.00 11.23 C ATOM 1680 CD1 PHE B 239 6.820 -7.288 -17.662 1.00 74.04 C ATOM 1681 CD2 PHE B 239 6.451 -8.840 -19.429 1.00 32.33 C ATOM 1682 CE1 PHE B 239 8.034 -6.941 -18.225 1.00 75.33 C ATOM 1683 CE2 PHE B 239 7.651 -8.510 -19.994 1.00 23.12 C ATOM 1684 CZ PHE B 239 8.450 -7.557 -19.395 1.00 20.14 C ATOM 0 H PHE B 239 4.135 -6.649 -16.167 1.00 34.21 H new ATOM 0 HA PHE B 239 3.446 -7.392 -18.899 1.00 43.03 H new ATOM 0 HB2 PHE B 239 4.866 -8.805 -16.605 1.00 15.13 H new ATOM 0 HB3 PHE B 239 4.447 -9.619 -18.099 1.00 15.13 H new ATOM 0 HD1 PHE B 239 6.496 -6.813 -16.748 1.00 74.04 H new ATOM 0 HD2 PHE B 239 5.829 -9.585 -19.904 1.00 32.33 H new ATOM 0 HE1 PHE B 239 8.656 -6.193 -17.755 1.00 75.33 H new ATOM 0 HE2 PHE B 239 7.973 -8.993 -20.905 1.00 23.12 H new ATOM 0 HZ PHE B 239 9.399 -7.291 -19.838 1.00 20.14 H new ATOM 1694 N ILE B 240 1.379 -8.639 -18.225 1.00 52.53 N ATOM 1695 CA ILE B 240 0.281 -9.478 -17.853 1.00 63.41 C ATOM 1696 C ILE B 240 0.527 -10.794 -18.511 1.00 64.51 C ATOM 1697 O ILE B 240 0.623 -10.858 -19.739 1.00 21.13 O ATOM 1698 CB ILE B 240 -1.079 -8.955 -18.347 1.00 75.13 C ATOM 1699 CG1 ILE B 240 -1.143 -7.446 -18.198 1.00 43.34 C ATOM 1700 CG2 ILE B 240 -2.210 -9.629 -17.575 1.00 1.05 C ATOM 1701 CD1 ILE B 240 -2.500 -6.845 -18.437 1.00 2.41 C ATOM 0 H ILE B 240 1.325 -8.228 -19.157 1.00 52.53 H new ATOM 0 HA ILE B 240 0.230 -9.525 -16.765 1.00 63.41 H new ATOM 0 HB ILE B 240 -1.194 -9.198 -19.403 1.00 75.13 H new ATOM 0 HG12 ILE B 240 -0.816 -7.180 -17.193 1.00 43.34 H new ATOM 0 HG13 ILE B 240 -0.434 -6.996 -18.893 1.00 43.34 H new ATOM 0 HG21 ILE B 240 -3.169 -9.252 -17.932 1.00 1.05 H new ATOM 0 HG22 ILE B 240 -2.164 -10.707 -17.729 1.00 1.05 H new ATOM 0 HG23 ILE B 240 -2.107 -9.409 -16.512 1.00 1.05 H new ATOM 0 HD11 ILE B 240 -2.447 -5.764 -18.308 1.00 2.41 H new ATOM 0 HD12 ILE B 240 -2.826 -7.074 -19.452 1.00 2.41 H new ATOM 0 HD13 ILE B 240 -3.213 -7.261 -17.725 1.00 2.41 H new ATOM 1713 N THR B 241 0.682 -11.822 -17.746 1.00 72.43 N ATOM 1714 CA THR B 241 0.884 -13.093 -18.321 1.00 31.22 C ATOM 1715 C THR B 241 -0.248 -13.989 -17.909 1.00 55.32 C ATOM 1716 O THR B 241 -0.958 -13.682 -16.957 1.00 72.43 O ATOM 1717 CB THR B 241 2.252 -13.734 -17.948 1.00 3.12 C ATOM 1718 OG1 THR B 241 2.311 -14.023 -16.546 1.00 12.13 O ATOM 1719 CG2 THR B 241 3.417 -12.809 -18.301 1.00 74.04 C ATOM 0 H THR B 241 0.672 -11.800 -16.726 1.00 72.43 H new ATOM 0 HA THR B 241 0.905 -12.967 -19.404 1.00 31.22 H new ATOM 0 HB THR B 241 2.338 -14.656 -18.523 1.00 3.12 H new ATOM 0 HG1 THR B 241 2.040 -13.231 -16.037 1.00 12.13 H new ATOM 0 HG21 THR B 241 4.357 -13.287 -18.027 1.00 74.04 H new ATOM 0 HG22 THR B 241 3.410 -12.608 -19.372 1.00 74.04 H new ATOM 0 HG23 THR B 241 3.315 -11.871 -17.755 1.00 74.04 H new ATOM 1727 N LYS B 242 -0.401 -15.099 -18.588 1.00 40.41 N ATOM 1728 CA LYS B 242 -1.503 -16.030 -18.321 1.00 71.20 C ATOM 1729 C LYS B 242 -1.423 -16.773 -16.963 1.00 54.21 C ATOM 1730 O LYS B 242 -2.203 -17.698 -16.709 1.00 45.31 O ATOM 1731 CB LYS B 242 -1.770 -16.971 -19.529 1.00 33.15 C ATOM 1732 CG LYS B 242 -0.545 -17.656 -20.168 1.00 33.30 C ATOM 1733 CD LYS B 242 0.199 -18.592 -19.230 1.00 43.34 C ATOM 1734 CE LYS B 242 1.363 -19.257 -19.956 1.00 55.42 C ATOM 1735 NZ LYS B 242 2.165 -20.133 -19.070 1.00 41.03 N ATOM 0 H LYS B 242 0.223 -15.394 -19.339 1.00 40.41 H new ATOM 0 HA LYS B 242 -2.385 -15.401 -18.205 1.00 71.20 H new ATOM 0 HB2 LYS B 242 -2.462 -17.748 -19.206 1.00 33.15 H new ATOM 0 HB3 LYS B 242 -2.277 -16.394 -20.302 1.00 33.15 H new ATOM 0 HG2 LYS B 242 -0.871 -18.219 -21.043 1.00 33.30 H new ATOM 0 HG3 LYS B 242 0.144 -16.889 -20.521 1.00 33.30 H new ATOM 0 HD2 LYS B 242 0.569 -18.036 -18.369 1.00 43.34 H new ATOM 0 HD3 LYS B 242 -0.482 -19.353 -18.849 1.00 43.34 H new ATOM 0 HE2 LYS B 242 0.978 -19.845 -20.789 1.00 55.42 H new ATOM 0 HE3 LYS B 242 2.008 -18.488 -20.380 1.00 55.42 H new ATOM 0 HZ1 LYS B 242 2.942 -20.559 -19.614 1.00 41.03 H new ATOM 0 HZ2 LYS B 242 2.557 -19.570 -18.288 1.00 41.03 H new ATOM 0 HZ3 LYS B 242 1.559 -20.885 -18.685 1.00 41.03 H new ATOM 1749 N ARG B 243 -0.498 -16.352 -16.105 1.00 55.34 N ATOM 1750 CA ARG B 243 -0.371 -16.887 -14.753 1.00 73.14 C ATOM 1751 C ARG B 243 -0.048 -15.818 -13.707 1.00 14.53 C ATOM 1752 O ARG B 243 -0.366 -15.981 -12.539 1.00 0.23 O ATOM 1753 CB ARG B 243 0.633 -18.018 -14.671 1.00 4.21 C ATOM 1754 CG ARG B 243 0.142 -19.303 -15.284 1.00 31.33 C ATOM 1755 CD ARG B 243 1.150 -20.393 -15.123 1.00 45.33 C ATOM 1756 NE ARG B 243 1.486 -20.647 -13.719 1.00 33.23 N ATOM 1757 CZ ARG B 243 2.566 -21.325 -13.307 1.00 74.11 C ATOM 1758 NH1 ARG B 243 3.434 -21.804 -14.203 1.00 62.22 N ATOM 1759 NH2 ARG B 243 2.781 -21.516 -12.003 1.00 53.24 N ATOM 0 H ARG B 243 0.186 -15.629 -16.328 1.00 55.34 H new ATOM 0 HA ARG B 243 -1.357 -17.286 -14.517 1.00 73.14 H new ATOM 0 HB2 ARG B 243 1.552 -17.714 -15.171 1.00 4.21 H new ATOM 0 HB3 ARG B 243 0.883 -18.196 -13.625 1.00 4.21 H new ATOM 0 HG2 ARG B 243 -0.796 -19.599 -14.815 1.00 31.33 H new ATOM 0 HG3 ARG B 243 -0.066 -19.149 -16.343 1.00 31.33 H new ATOM 0 HD2 ARG B 243 0.765 -21.308 -15.572 1.00 45.33 H new ATOM 0 HD3 ARG B 243 2.056 -20.128 -15.667 1.00 45.33 H new ATOM 0 HE ARG B 243 0.854 -20.282 -13.006 1.00 33.23 H new ATOM 0 HH11 ARG B 243 3.274 -21.653 -15.199 1.00 62.22 H new ATOM 0 HH12 ARG B 243 4.256 -22.320 -13.891 1.00 62.22 H new ATOM 0 HH21 ARG B 243 2.122 -21.146 -11.318 1.00 53.24 H new ATOM 0 HH22 ARG B 243 3.604 -22.032 -11.692 1.00 53.24 H new ATOM 1773 N GLY B 244 0.575 -14.739 -14.108 1.00 44.42 N ATOM 1774 CA GLY B 244 0.922 -13.731 -13.140 1.00 23.41 C ATOM 1775 C GLY B 244 1.184 -12.398 -13.765 1.00 32.02 C ATOM 1776 O GLY B 244 1.236 -12.277 -14.988 1.00 25.04 O ATOM 0 H GLY B 244 0.846 -14.539 -15.071 1.00 44.42 H new ATOM 0 HA2 GLY B 244 0.114 -13.635 -12.415 1.00 23.41 H new ATOM 0 HA3 GLY B 244 1.807 -14.050 -12.590 1.00 23.41 H new ATOM 1780 N LEU B 245 1.343 -11.401 -12.954 1.00 70.05 N ATOM 1781 CA LEU B 245 1.625 -10.077 -13.449 1.00 24.21 C ATOM 1782 C LEU B 245 2.935 -9.560 -12.898 1.00 31.22 C ATOM 1783 O LEU B 245 3.239 -9.739 -11.716 1.00 31.45 O ATOM 1784 CB LEU B 245 0.479 -9.070 -13.183 1.00 73.45 C ATOM 1785 CG LEU B 245 -0.864 -9.304 -13.913 1.00 72.32 C ATOM 1786 CD1 LEU B 245 -1.644 -10.482 -13.341 1.00 23.43 C ATOM 1787 CD2 LEU B 245 -1.699 -8.044 -13.919 1.00 55.04 C ATOM 0 H LEU B 245 1.283 -11.472 -11.938 1.00 70.05 H new ATOM 0 HA LEU B 245 1.710 -10.168 -14.532 1.00 24.21 H new ATOM 0 HB2 LEU B 245 0.282 -9.061 -12.111 1.00 73.45 H new ATOM 0 HB3 LEU B 245 0.837 -8.076 -13.449 1.00 73.45 H new ATOM 0 HG LEU B 245 -0.625 -9.563 -14.944 1.00 72.32 H new ATOM 0 HD11 LEU B 245 -2.578 -10.601 -13.890 1.00 23.43 H new ATOM 0 HD12 LEU B 245 -1.050 -11.391 -13.434 1.00 23.43 H new ATOM 0 HD13 LEU B 245 -1.863 -10.297 -12.289 1.00 23.43 H new ATOM 0 HD21 LEU B 245 -2.639 -8.233 -14.438 1.00 55.04 H new ATOM 0 HD22 LEU B 245 -1.906 -7.740 -12.893 1.00 55.04 H new ATOM 0 HD23 LEU B 245 -1.155 -7.250 -14.431 1.00 55.04 H new ATOM 1799 N LYS B 246 3.711 -8.949 -13.747 1.00 21.41 N ATOM 1800 CA LYS B 246 4.990 -8.404 -13.353 1.00 24.44 C ATOM 1801 C LYS B 246 4.936 -6.903 -13.512 1.00 31.23 C ATOM 1802 O LYS B 246 4.680 -6.415 -14.596 1.00 52.51 O ATOM 1803 CB LYS B 246 6.104 -8.910 -14.263 1.00 62.23 C ATOM 1804 CG LYS B 246 7.498 -8.549 -13.778 1.00 3.33 C ATOM 1805 CD LYS B 246 8.529 -8.597 -14.899 1.00 71.02 C ATOM 1806 CE LYS B 246 8.620 -9.943 -15.611 1.00 13.24 C ATOM 1807 NZ LYS B 246 9.071 -11.043 -14.728 1.00 70.51 N ATOM 0 H LYS B 246 3.481 -8.812 -14.731 1.00 21.41 H new ATOM 0 HA LYS B 246 5.191 -8.704 -12.325 1.00 24.44 H new ATOM 0 HB2 LYS B 246 6.028 -9.994 -14.348 1.00 62.23 H new ATOM 0 HB3 LYS B 246 5.959 -8.501 -15.263 1.00 62.23 H new ATOM 0 HG2 LYS B 246 7.482 -7.549 -13.344 1.00 3.33 H new ATOM 0 HG3 LYS B 246 7.794 -9.236 -12.985 1.00 3.33 H new ATOM 0 HD2 LYS B 246 8.288 -7.827 -15.632 1.00 71.02 H new ATOM 0 HD3 LYS B 246 9.508 -8.350 -14.488 1.00 71.02 H new ATOM 0 HE2 LYS B 246 7.643 -10.195 -16.024 1.00 13.24 H new ATOM 0 HE3 LYS B 246 9.308 -9.856 -16.452 1.00 13.24 H new ATOM 0 HZ1 LYS B 246 9.112 -11.929 -15.271 1.00 70.51 H new ATOM 0 HZ2 LYS B 246 10.016 -10.822 -14.354 1.00 70.51 H new ATOM 0 HZ3 LYS B 246 8.402 -11.151 -13.939 1.00 70.51 H new ATOM 1821 N VAL B 247 5.179 -6.194 -12.476 1.00 42.24 N ATOM 1822 CA VAL B 247 5.204 -4.755 -12.545 1.00 33.33 C ATOM 1823 C VAL B 247 6.613 -4.278 -12.208 1.00 4.35 C ATOM 1824 O VAL B 247 7.219 -4.730 -11.227 1.00 74.12 O ATOM 1825 CB VAL B 247 4.118 -4.109 -11.635 1.00 23.55 C ATOM 1826 CG1 VAL B 247 4.290 -4.508 -10.176 1.00 23.52 C ATOM 1827 CG2 VAL B 247 4.095 -2.602 -11.800 1.00 3.31 C ATOM 0 H VAL B 247 5.368 -6.578 -11.550 1.00 42.24 H new ATOM 0 HA VAL B 247 4.956 -4.434 -13.557 1.00 33.33 H new ATOM 0 HB VAL B 247 3.151 -4.495 -11.958 1.00 23.55 H new ATOM 0 HG11 VAL B 247 3.512 -4.036 -9.576 1.00 23.52 H new ATOM 0 HG12 VAL B 247 4.212 -5.591 -10.083 1.00 23.52 H new ATOM 0 HG13 VAL B 247 5.269 -4.183 -9.823 1.00 23.52 H new ATOM 0 HG21 VAL B 247 3.328 -2.177 -11.153 1.00 3.31 H new ATOM 0 HG22 VAL B 247 5.067 -2.191 -11.528 1.00 3.31 H new ATOM 0 HG23 VAL B 247 3.874 -2.353 -12.838 1.00 3.31 H new ATOM 1837 N CYS B 248 7.161 -3.435 -13.034 1.00 43.11 N ATOM 1838 CA CYS B 248 8.522 -3.027 -12.860 1.00 2.11 C ATOM 1839 C CYS B 248 8.681 -1.541 -13.073 1.00 74.05 C ATOM 1840 O CYS B 248 8.565 -1.071 -14.190 1.00 14.22 O ATOM 1841 CB CYS B 248 9.374 -3.788 -13.860 1.00 11.51 C ATOM 1842 SG CYS B 248 11.149 -3.600 -13.630 1.00 63.30 S ATOM 0 H CYS B 248 6.686 -3.018 -13.834 1.00 43.11 H new ATOM 0 HA CYS B 248 8.837 -3.246 -11.840 1.00 2.11 H new ATOM 0 HB2 CYS B 248 9.123 -4.847 -13.799 1.00 11.51 H new ATOM 0 HB3 CYS B 248 9.114 -3.456 -14.865 1.00 11.51 H new ATOM 1847 N CYS B 249 8.938 -0.803 -12.012 1.00 41.32 N ATOM 1848 CA CYS B 249 9.098 0.644 -12.129 1.00 31.52 C ATOM 1849 C CYS B 249 10.585 1.086 -11.954 1.00 70.01 C ATOM 1850 O CYS B 249 11.287 0.626 -11.046 1.00 53.25 O ATOM 1851 CB CYS B 249 8.213 1.403 -11.106 1.00 23.10 C ATOM 1852 SG CYS B 249 6.361 1.244 -11.214 1.00 60.42 S ATOM 0 H CYS B 249 9.041 -1.170 -11.066 1.00 41.32 H new ATOM 0 HA CYS B 249 8.775 0.902 -13.138 1.00 31.52 H new ATOM 0 HB2 CYS B 249 8.513 1.079 -10.109 1.00 23.10 H new ATOM 0 HB3 CYS B 249 8.457 2.463 -11.184 1.00 23.10 H new ATOM 1857 N ASP B 250 11.034 1.970 -12.838 1.00 70.34 N ATOM 1858 CA ASP B 250 12.359 2.602 -12.794 1.00 51.53 C ATOM 1859 C ASP B 250 12.169 4.104 -12.911 1.00 15.22 C ATOM 1860 O ASP B 250 11.550 4.550 -13.840 1.00 3.23 O ATOM 1861 CB ASP B 250 13.245 2.160 -13.977 1.00 4.23 C ATOM 1862 CG ASP B 250 14.645 2.795 -13.932 1.00 4.42 C ATOM 1863 OD1 ASP B 250 15.481 2.375 -13.116 1.00 34.24 O ATOM 1864 OD2 ASP B 250 14.919 3.726 -14.709 1.00 72.53 O ATOM 0 H ASP B 250 10.473 2.280 -13.632 1.00 70.34 H new ATOM 0 HA ASP B 250 12.842 2.311 -11.861 1.00 51.53 H new ATOM 0 HB2 ASP B 250 13.341 1.074 -13.969 1.00 4.23 H new ATOM 0 HB3 ASP B 250 12.757 2.430 -14.913 1.00 4.23 H new ATOM 1869 N PRO B 251 12.701 4.900 -11.996 1.00 3.51 N ATOM 1870 CA PRO B 251 12.563 6.388 -12.013 1.00 24.20 C ATOM 1871 C PRO B 251 13.428 7.062 -13.108 1.00 24.31 C ATOM 1872 O PRO B 251 13.950 8.169 -12.901 1.00 40.33 O ATOM 1873 CB PRO B 251 13.107 6.800 -10.629 1.00 54.34 C ATOM 1874 CG PRO B 251 13.284 5.535 -9.873 1.00 42.41 C ATOM 1875 CD PRO B 251 13.493 4.464 -10.888 1.00 15.01 C ATOM 0 HA PRO B 251 11.536 6.689 -12.220 1.00 24.20 H new ATOM 0 HB2 PRO B 251 14.052 7.335 -10.723 1.00 54.34 H new ATOM 0 HB3 PRO B 251 12.413 7.467 -10.118 1.00 54.34 H new ATOM 0 HG2 PRO B 251 14.137 5.602 -9.198 1.00 42.41 H new ATOM 0 HG3 PRO B 251 12.408 5.323 -9.260 1.00 42.41 H new ATOM 0 HD2 PRO B 251 14.544 4.367 -11.159 1.00 15.01 H new ATOM 0 HD3 PRO B 251 13.167 3.491 -10.519 1.00 15.01 H new