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 Set 1.1: A 25 LYS NZ :NH3+ -159:sc=-0.00195 (180deg=-1.19!) USER MOD Set 1.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 36:sc= 0.122 USER MOD Single : A 13 SER OG : rot 39:sc= 0.0306 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 17 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.35) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 50:sc= 0.151 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -52:sc= 1.24 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 36:sc= 0.11 USER MOD Single : B 213 SER OG : rot 37:sc= 0.0238 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= -0.0363 X(o=-0.036,f=-0.041) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ -122:sc= -1.08 (180deg=-2.92!) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 43:sc= 0.244 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 43:sc= 0.283 USER MOD Single : B 233 SER OG : rot 180:sc= -0.143 USER MOD Single : B 241 THR OG1 : rot -5:sc= 1.3 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 -9.025 -10.467 -7.401 1.00 33.10 N ATOM 138 CA THR A 10 -7.704 -10.934 -7.166 1.00 52.54 C ATOM 139 C THR A 10 -6.733 -9.763 -7.159 1.00 74.34 C ATOM 140 O THR A 10 -6.337 -9.255 -8.211 1.00 42.12 O ATOM 141 CB THR A 10 -7.313 -11.964 -8.248 1.00 62.21 C ATOM 142 OG1 THR A 10 -8.264 -13.049 -8.229 1.00 60.42 O ATOM 143 CG2 THR A 10 -5.923 -12.513 -8.004 1.00 61.00 C ATOM 0 HA THR A 10 -7.661 -11.422 -6.192 1.00 52.54 H new ATOM 0 HB THR A 10 -7.319 -11.468 -9.218 1.00 62.21 H new ATOM 0 HG1 THR A 10 -9.156 -12.699 -8.024 1.00 60.42 H new ATOM 0 HG21 THR A 10 -5.676 -13.236 -8.782 1.00 61.00 H new ATOM 0 HG22 THR A 10 -5.201 -11.697 -8.024 1.00 61.00 H new ATOM 0 HG23 THR A 10 -5.891 -13.002 -7.031 1.00 61.00 H new ATOM 151 N CYS A 11 -6.365 -9.320 -5.989 1.00 24.44 N ATOM 152 CA CYS A 11 -5.501 -8.196 -5.904 1.00 45.01 C ATOM 153 C CYS A 11 -4.260 -8.607 -5.168 1.00 74.22 C ATOM 154 O CYS A 11 -4.326 -9.378 -4.206 1.00 41.41 O ATOM 155 CB CYS A 11 -6.151 -7.058 -5.095 1.00 31.23 C ATOM 156 SG CYS A 11 -7.932 -6.669 -5.428 1.00 21.42 S ATOM 0 H CYS A 11 -6.651 -9.721 -5.095 1.00 24.44 H new ATOM 0 HA CYS A 11 -5.286 -7.851 -6.915 1.00 45.01 H new ATOM 0 HB2 CYS A 11 -6.053 -7.301 -4.037 1.00 31.23 H new ATOM 0 HB3 CYS A 11 -5.572 -6.151 -5.268 1.00 31.23 H new ATOM 161 N VAL A 12 -3.145 -8.091 -5.581 1.00 44.11 N ATOM 162 CA VAL A 12 -1.907 -8.329 -4.908 1.00 21.23 C ATOM 163 C VAL A 12 -1.179 -7.013 -4.723 1.00 22.13 C ATOM 164 O VAL A 12 -1.217 -6.135 -5.606 1.00 33.20 O ATOM 165 CB VAL A 12 -0.994 -9.429 -5.590 1.00 73.44 C ATOM 166 CG1 VAL A 12 -1.660 -10.800 -5.557 1.00 11.14 C ATOM 167 CG2 VAL A 12 -0.606 -9.079 -7.027 1.00 21.20 C ATOM 0 H VAL A 12 -3.068 -7.489 -6.400 1.00 44.11 H new ATOM 0 HA VAL A 12 -2.145 -8.755 -3.933 1.00 21.23 H new ATOM 0 HB VAL A 12 -0.077 -9.458 -5.001 1.00 73.44 H new ATOM 0 HG11 VAL A 12 -1.008 -11.533 -6.033 1.00 11.14 H new ATOM 0 HG12 VAL A 12 -1.840 -11.092 -4.522 1.00 11.14 H new ATOM 0 HG13 VAL A 12 -2.609 -10.757 -6.092 1.00 11.14 H new ATOM 0 HG21 VAL A 12 0.019 -9.872 -7.438 1.00 21.20 H new ATOM 0 HG22 VAL A 12 -1.507 -8.976 -7.632 1.00 21.20 H new ATOM 0 HG23 VAL A 12 -0.053 -8.140 -7.036 1.00 21.20 H new ATOM 177 N SER A 13 -0.562 -6.850 -3.596 1.00 73.21 N ATOM 178 CA SER A 13 0.092 -5.618 -3.279 1.00 2.13 C ATOM 179 C SER A 13 1.557 -5.846 -2.983 1.00 34.22 C ATOM 180 O SER A 13 1.926 -6.614 -2.075 1.00 3.44 O ATOM 181 CB SER A 13 -0.643 -4.918 -2.127 1.00 0.23 C ATOM 182 OG SER A 13 -0.834 -5.803 -1.023 1.00 74.12 O ATOM 0 H SER A 13 -0.497 -7.564 -2.871 1.00 73.21 H new ATOM 0 HA SER A 13 0.053 -4.955 -4.143 1.00 2.13 H new ATOM 0 HB2 SER A 13 -0.072 -4.047 -1.804 1.00 0.23 H new ATOM 0 HB3 SER A 13 -1.609 -4.554 -2.476 1.00 0.23 H new ATOM 0 HG SER A 13 -0.040 -6.366 -0.914 1.00 74.12 H new ATOM 188 N LEU A 14 2.375 -5.197 -3.760 1.00 22.41 N ATOM 189 CA LEU A 14 3.802 -5.338 -3.708 1.00 2.41 C ATOM 190 C LEU A 14 4.447 -4.048 -3.266 1.00 63.40 C ATOM 191 O LEU A 14 4.228 -2.992 -3.868 1.00 53.42 O ATOM 192 CB LEU A 14 4.270 -5.762 -5.089 1.00 65.13 C ATOM 193 CG LEU A 14 3.818 -7.162 -5.482 1.00 52.24 C ATOM 194 CD1 LEU A 14 3.973 -7.406 -6.976 1.00 40.01 C ATOM 195 CD2 LEU A 14 4.641 -8.164 -4.702 1.00 23.51 C ATOM 0 H LEU A 14 2.058 -4.535 -4.469 1.00 22.41 H new ATOM 0 HA LEU A 14 4.092 -6.093 -2.977 1.00 2.41 H new ATOM 0 HB2 LEU A 14 3.898 -5.049 -5.825 1.00 65.13 H new ATOM 0 HB3 LEU A 14 5.359 -5.717 -5.124 1.00 65.13 H new ATOM 0 HG LEU A 14 2.759 -7.271 -5.248 1.00 52.24 H new ATOM 0 HD11 LEU A 14 3.640 -8.416 -7.216 1.00 40.01 H new ATOM 0 HD12 LEU A 14 3.370 -6.684 -7.527 1.00 40.01 H new ATOM 0 HD13 LEU A 14 5.020 -7.293 -7.256 1.00 40.01 H new ATOM 0 HD21 LEU A 14 4.333 -9.175 -4.969 1.00 23.51 H new ATOM 0 HD22 LEU A 14 5.696 -8.032 -4.940 1.00 23.51 H new ATOM 0 HD23 LEU A 14 4.488 -8.008 -3.634 1.00 23.51 H new ATOM 207 N THR A 15 5.231 -4.121 -2.223 1.00 34.52 N ATOM 208 CA THR A 15 5.831 -2.948 -1.671 1.00 2.32 C ATOM 209 C THR A 15 7.307 -2.866 -2.079 1.00 0.11 C ATOM 210 O THR A 15 8.006 -3.878 -2.147 1.00 71.31 O ATOM 211 CB THR A 15 5.712 -2.947 -0.132 1.00 42.42 C ATOM 212 OG1 THR A 15 4.364 -3.298 0.239 1.00 4.11 O ATOM 213 CG2 THR A 15 6.001 -1.557 0.408 1.00 70.12 C ATOM 0 H THR A 15 5.466 -4.988 -1.740 1.00 34.52 H new ATOM 0 HA THR A 15 5.303 -2.078 -2.062 1.00 2.32 H new ATOM 0 HB THR A 15 6.424 -3.663 0.278 1.00 42.42 H new ATOM 0 HG1 THR A 15 4.284 -3.300 1.216 1.00 4.11 H new ATOM 0 HG21 THR A 15 5.915 -1.564 1.495 1.00 70.12 H new ATOM 0 HG22 THR A 15 7.011 -1.260 0.126 1.00 70.12 H new ATOM 0 HG23 THR A 15 5.285 -0.849 -0.008 1.00 70.12 H new ATOM 221 N THR A 16 7.748 -1.684 -2.360 1.00 3.32 N ATOM 222 CA THR A 16 9.104 -1.418 -2.737 1.00 2.12 C ATOM 223 C THR A 16 9.688 -0.432 -1.723 1.00 23.30 C ATOM 224 O THR A 16 8.933 0.106 -0.906 1.00 21.45 O ATOM 225 CB THR A 16 9.211 -0.906 -4.212 1.00 35.13 C ATOM 226 OG1 THR A 16 10.565 -0.583 -4.560 1.00 13.33 O ATOM 227 CG2 THR A 16 8.309 0.287 -4.465 1.00 75.42 C ATOM 0 H THR A 16 7.161 -0.850 -2.334 1.00 3.32 H new ATOM 0 HA THR A 16 9.686 -2.339 -2.718 1.00 2.12 H new ATOM 0 HB THR A 16 8.876 -1.724 -4.849 1.00 35.13 H new ATOM 0 HG1 THR A 16 10.598 -0.268 -5.487 1.00 13.33 H new ATOM 0 HG21 THR A 16 8.415 0.610 -5.501 1.00 75.42 H new ATOM 0 HG22 THR A 16 7.273 0.006 -4.276 1.00 75.42 H new ATOM 0 HG23 THR A 16 8.590 1.103 -3.800 1.00 75.42 H new ATOM 235 N GLN A 17 11.012 -0.268 -1.711 1.00 22.32 N ATOM 236 CA GLN A 17 11.703 0.613 -0.756 1.00 62.24 C ATOM 237 C GLN A 17 10.992 1.984 -0.661 1.00 71.54 C ATOM 238 O GLN A 17 10.526 2.374 0.416 1.00 15.10 O ATOM 239 CB GLN A 17 13.167 0.791 -1.174 1.00 35.32 C ATOM 240 CG GLN A 17 14.017 1.529 -0.155 1.00 3.34 C ATOM 241 CD GLN A 17 14.059 0.802 1.179 1.00 2.23 C ATOM 242 OE1 GLN A 17 13.232 1.042 2.061 1.00 74.15 O ATOM 243 NE2 GLN A 17 14.997 -0.098 1.324 1.00 32.53 N ATOM 0 H GLN A 17 11.639 -0.741 -2.362 1.00 22.32 H new ATOM 0 HA GLN A 17 11.673 0.150 0.230 1.00 62.24 H new ATOM 0 HB2 GLN A 17 13.605 -0.191 -1.353 1.00 35.32 H new ATOM 0 HB3 GLN A 17 13.201 1.332 -2.120 1.00 35.32 H new ATOM 0 HG2 GLN A 17 15.031 1.641 -0.540 1.00 3.34 H new ATOM 0 HG3 GLN A 17 13.619 2.533 -0.009 1.00 3.34 H new ATOM 0 HE21 GLN A 17 15.663 -0.267 0.570 1.00 32.53 H new ATOM 0 HE22 GLN A 17 15.063 -0.631 2.191 1.00 32.53 H new ATOM 252 N ARG A 18 10.894 2.673 -1.791 1.00 42.22 N ATOM 253 CA ARG A 18 10.157 3.927 -1.909 1.00 10.33 C ATOM 254 C ARG A 18 10.099 4.293 -3.372 1.00 11.31 C ATOM 255 O ARG A 18 11.138 4.387 -4.036 1.00 60.24 O ATOM 256 CB ARG A 18 10.789 5.068 -1.093 1.00 70.22 C ATOM 257 CG ARG A 18 9.936 6.339 -1.064 1.00 22.34 C ATOM 258 CD ARG A 18 10.599 7.439 -0.252 1.00 63.32 C ATOM 259 NE ARG A 18 11.864 7.861 -0.853 1.00 44.43 N ATOM 260 CZ ARG A 18 12.835 8.533 -0.234 1.00 32.22 C ATOM 261 NH1 ARG A 18 12.716 8.869 1.041 1.00 62.21 N ATOM 262 NH2 ARG A 18 13.931 8.859 -0.903 1.00 71.33 N ATOM 0 H ARG A 18 11.330 2.373 -2.663 1.00 42.22 H new ATOM 0 HA ARG A 18 9.156 3.785 -1.501 1.00 10.33 H new ATOM 0 HB2 ARG A 18 10.953 4.726 -0.071 1.00 70.22 H new ATOM 0 HB3 ARG A 18 11.767 5.305 -1.511 1.00 70.22 H new ATOM 0 HG2 ARG A 18 9.768 6.689 -2.083 1.00 22.34 H new ATOM 0 HG3 ARG A 18 8.958 6.112 -0.640 1.00 22.34 H new ATOM 0 HD2 ARG A 18 9.927 8.294 -0.179 1.00 63.32 H new ATOM 0 HD3 ARG A 18 10.777 7.086 0.764 1.00 63.32 H new ATOM 0 HE ARG A 18 12.017 7.620 -1.832 1.00 44.43 H new ATOM 0 HH11 ARG A 18 11.875 8.614 1.559 1.00 62.21 H new ATOM 0 HH12 ARG A 18 13.465 9.383 1.505 1.00 62.21 H new ATOM 0 HH21 ARG A 18 14.027 8.596 -1.884 1.00 71.33 H new ATOM 0 HH22 ARG A 18 14.679 9.373 -0.437 1.00 71.33 H new ATOM 276 N LEU A 19 8.911 4.477 -3.877 1.00 2.15 N ATOM 277 CA LEU A 19 8.723 4.743 -5.278 1.00 72.23 C ATOM 278 C LEU A 19 7.912 6.026 -5.396 1.00 2.03 C ATOM 279 O LEU A 19 6.704 5.993 -5.255 1.00 21.10 O ATOM 280 CB LEU A 19 7.977 3.536 -5.902 1.00 33.13 C ATOM 281 CG LEU A 19 7.990 3.357 -7.433 1.00 5.23 C ATOM 282 CD1 LEU A 19 7.302 4.497 -8.167 1.00 74.52 C ATOM 283 CD2 LEU A 19 9.418 3.165 -7.919 1.00 14.41 C ATOM 0 H LEU A 19 8.049 4.447 -3.333 1.00 2.15 H new ATOM 0 HA LEU A 19 9.668 4.872 -5.806 1.00 72.23 H new ATOM 0 HB2 LEU A 19 8.392 2.630 -5.462 1.00 33.13 H new ATOM 0 HB3 LEU A 19 6.935 3.595 -5.587 1.00 33.13 H new ATOM 0 HG LEU A 19 7.412 2.462 -7.664 1.00 5.23 H new ATOM 0 HD11 LEU A 19 7.343 4.315 -9.241 1.00 74.52 H new ATOM 0 HD12 LEU A 19 6.261 4.559 -7.849 1.00 74.52 H new ATOM 0 HD13 LEU A 19 7.808 5.435 -7.938 1.00 74.52 H new ATOM 0 HD21 LEU A 19 9.420 3.039 -9.002 1.00 14.41 H new ATOM 0 HD22 LEU A 19 10.013 4.039 -7.654 1.00 14.41 H new ATOM 0 HD23 LEU A 19 9.846 2.279 -7.450 1.00 14.41 H new ATOM 295 N PRO A 20 8.557 7.175 -5.607 1.00 74.33 N ATOM 296 CA PRO A 20 7.855 8.450 -5.636 1.00 42.14 C ATOM 297 C PRO A 20 6.884 8.558 -6.797 1.00 33.25 C ATOM 298 O PRO A 20 7.180 8.155 -7.940 1.00 61.24 O ATOM 299 CB PRO A 20 8.976 9.481 -5.792 1.00 64.25 C ATOM 300 CG PRO A 20 10.104 8.720 -6.389 1.00 53.40 C ATOM 301 CD PRO A 20 9.993 7.327 -5.846 1.00 21.20 C ATOM 0 HA PRO A 20 7.248 8.589 -4.741 1.00 42.14 H new ATOM 0 HB2 PRO A 20 8.669 10.306 -6.435 1.00 64.25 H new ATOM 0 HB3 PRO A 20 9.254 9.913 -4.831 1.00 64.25 H new ATOM 0 HG2 PRO A 20 10.043 8.721 -7.477 1.00 53.40 H new ATOM 0 HG3 PRO A 20 11.061 9.168 -6.123 1.00 53.40 H new ATOM 0 HD2 PRO A 20 10.364 6.587 -6.556 1.00 21.20 H new ATOM 0 HD3 PRO A 20 10.569 7.205 -4.929 1.00 21.20 H new ATOM 309 N VAL A 21 5.747 9.131 -6.517 1.00 2.14 N ATOM 310 CA VAL A 21 4.732 9.336 -7.509 1.00 23.32 C ATOM 311 C VAL A 21 4.251 10.756 -7.425 1.00 53.24 C ATOM 312 O VAL A 21 4.439 11.423 -6.391 1.00 43.55 O ATOM 313 CB VAL A 21 3.519 8.371 -7.328 1.00 64.24 C ATOM 314 CG1 VAL A 21 3.952 6.926 -7.430 1.00 1.32 C ATOM 315 CG2 VAL A 21 2.798 8.613 -6.007 1.00 63.11 C ATOM 0 H VAL A 21 5.498 9.471 -5.588 1.00 2.14 H new ATOM 0 HA VAL A 21 5.172 9.128 -8.484 1.00 23.32 H new ATOM 0 HB VAL A 21 2.820 8.582 -8.137 1.00 64.24 H new ATOM 0 HG11 VAL A 21 3.086 6.277 -7.300 1.00 1.32 H new ATOM 0 HG12 VAL A 21 4.396 6.747 -8.409 1.00 1.32 H new ATOM 0 HG13 VAL A 21 4.687 6.711 -6.654 1.00 1.32 H new ATOM 0 HG21 VAL A 21 1.960 7.922 -5.918 1.00 63.11 H new ATOM 0 HG22 VAL A 21 3.490 8.453 -5.180 1.00 63.11 H new ATOM 0 HG23 VAL A 21 2.428 9.638 -5.977 1.00 63.11 H new ATOM 325 N SER A 22 3.664 11.229 -8.482 1.00 12.41 N ATOM 326 CA SER A 22 3.119 12.553 -8.494 1.00 54.32 C ATOM 327 C SER A 22 1.728 12.545 -7.834 1.00 30.45 C ATOM 328 O SER A 22 1.277 13.554 -7.292 1.00 71.11 O ATOM 329 CB SER A 22 3.044 13.048 -9.930 1.00 52.13 C ATOM 330 OG SER A 22 4.324 12.933 -10.558 1.00 25.35 O ATOM 0 H SER A 22 3.549 10.713 -9.354 1.00 12.41 H new ATOM 0 HA SER A 22 3.759 13.229 -7.927 1.00 54.32 H new ATOM 0 HB2 SER A 22 2.305 12.469 -10.484 1.00 52.13 H new ATOM 0 HB3 SER A 22 2.714 14.087 -9.948 1.00 52.13 H new ATOM 0 HG SER A 22 4.265 13.253 -11.483 1.00 25.35 H new ATOM 336 N ARG A 23 1.079 11.384 -7.867 1.00 54.42 N ATOM 337 CA ARG A 23 -0.240 11.193 -7.291 1.00 23.41 C ATOM 338 C ARG A 23 -0.553 9.706 -7.324 1.00 54.34 C ATOM 339 O ARG A 23 -0.035 8.993 -8.195 1.00 51.53 O ATOM 340 CB ARG A 23 -1.294 11.961 -8.118 1.00 55.55 C ATOM 341 CG ARG A 23 -2.711 11.886 -7.575 1.00 63.14 C ATOM 342 CD ARG A 23 -3.681 12.615 -8.476 1.00 53.21 C ATOM 343 NE ARG A 23 -5.051 12.579 -7.963 1.00 12.24 N ATOM 344 CZ ARG A 23 -6.126 13.039 -8.615 1.00 52.02 C ATOM 345 NH1 ARG A 23 -5.993 13.599 -9.811 1.00 54.45 N ATOM 346 NH2 ARG A 23 -7.326 12.949 -8.058 1.00 40.35 N ATOM 0 H ARG A 23 1.462 10.544 -8.300 1.00 54.42 H new ATOM 0 HA ARG A 23 -0.261 11.568 -6.268 1.00 23.41 H new ATOM 0 HB2 ARG A 23 -0.997 13.008 -8.175 1.00 55.55 H new ATOM 0 HB3 ARG A 23 -1.289 11.572 -9.136 1.00 55.55 H new ATOM 0 HG2 ARG A 23 -3.012 10.843 -7.480 1.00 63.14 H new ATOM 0 HG3 ARG A 23 -2.744 12.319 -6.575 1.00 63.14 H new ATOM 0 HD2 ARG A 23 -3.363 13.652 -8.584 1.00 53.21 H new ATOM 0 HD3 ARG A 23 -3.656 12.168 -9.470 1.00 53.21 H new ATOM 0 HE ARG A 23 -5.198 12.173 -7.039 1.00 12.24 H new ATOM 0 HH11 ARG A 23 -5.069 13.680 -10.236 1.00 54.45 H new ATOM 0 HH12 ARG A 23 -6.814 13.948 -10.305 1.00 54.45 H new ATOM 0 HH21 ARG A 23 -7.429 12.530 -7.134 1.00 40.35 H new ATOM 0 HH22 ARG A 23 -8.146 13.299 -8.554 1.00 40.35 H new ATOM 360 N ILE A 24 -1.352 9.234 -6.382 1.00 31.42 N ATOM 361 CA ILE A 24 -1.794 7.848 -6.380 1.00 52.32 C ATOM 362 C ILE A 24 -2.805 7.734 -7.504 1.00 65.21 C ATOM 363 O ILE A 24 -3.752 8.539 -7.575 1.00 23.02 O ATOM 364 CB ILE A 24 -2.504 7.476 -5.034 1.00 34.24 C ATOM 365 CG1 ILE A 24 -1.655 7.884 -3.797 1.00 1.32 C ATOM 366 CG2 ILE A 24 -2.831 5.983 -4.993 1.00 63.42 C ATOM 367 CD1 ILE A 24 -0.300 7.250 -3.708 1.00 72.32 C ATOM 0 H ILE A 24 -1.709 9.791 -5.606 1.00 31.42 H new ATOM 0 HA ILE A 24 -0.942 7.180 -6.502 1.00 52.32 H new ATOM 0 HB ILE A 24 -3.435 8.041 -4.990 1.00 34.24 H new ATOM 0 HG12 ILE A 24 -1.531 8.967 -3.804 1.00 1.32 H new ATOM 0 HG13 ILE A 24 -2.214 7.634 -2.896 1.00 1.32 H new ATOM 0 HG21 ILE A 24 -3.324 5.744 -4.050 1.00 63.42 H new ATOM 0 HG22 ILE A 24 -3.493 5.733 -5.822 1.00 63.42 H new ATOM 0 HG23 ILE A 24 -1.910 5.406 -5.077 1.00 63.42 H new ATOM 0 HD11 ILE A 24 0.208 7.602 -2.810 1.00 72.32 H new ATOM 0 HD12 ILE A 24 -0.408 6.166 -3.663 1.00 72.32 H new ATOM 0 HD13 ILE A 24 0.287 7.520 -4.586 1.00 72.32 H new ATOM 379 N LYS A 25 -2.620 6.809 -8.390 1.00 3.45 N ATOM 380 CA LYS A 25 -3.514 6.714 -9.491 1.00 22.55 C ATOM 381 C LYS A 25 -3.901 5.294 -9.744 1.00 34.13 C ATOM 382 O LYS A 25 -3.228 4.372 -9.276 1.00 14.02 O ATOM 383 CB LYS A 25 -2.868 7.304 -10.717 1.00 20.23 C ATOM 384 CG LYS A 25 -1.655 6.571 -11.194 1.00 74.23 C ATOM 385 CD LYS A 25 -1.180 7.173 -12.472 1.00 0.42 C ATOM 386 CE LYS A 25 -0.833 8.622 -12.296 1.00 54.31 C ATOM 387 NZ LYS A 25 -0.591 9.295 -13.584 1.00 4.35 N ATOM 0 H LYS A 25 -1.869 6.119 -8.372 1.00 3.45 H new ATOM 0 HA LYS A 25 -4.420 7.272 -9.254 1.00 22.55 H new ATOM 0 HB2 LYS A 25 -3.602 7.329 -11.522 1.00 20.23 H new ATOM 0 HB3 LYS A 25 -2.592 8.337 -10.505 1.00 20.23 H new ATOM 0 HG2 LYS A 25 -0.868 6.621 -10.442 1.00 74.23 H new ATOM 0 HG3 LYS A 25 -1.889 5.517 -11.341 1.00 74.23 H new ATOM 0 HD2 LYS A 25 -0.306 6.629 -12.830 1.00 0.42 H new ATOM 0 HD3 LYS A 25 -1.953 7.072 -13.234 1.00 0.42 H new ATOM 0 HE2 LYS A 25 -1.643 9.127 -11.770 1.00 54.31 H new ATOM 0 HE3 LYS A 25 0.055 8.708 -11.670 1.00 54.31 H new ATOM 0 HZ1 LYS A 25 -0.026 10.154 -13.426 1.00 4.35 H new ATOM 0 HZ2 LYS A 25 -0.075 8.653 -14.220 1.00 4.35 H new ATOM 0 HZ3 LYS A 25 -1.501 9.554 -14.017 1.00 4.35 H new ATOM 401 N THR A 26 -4.979 5.119 -10.481 1.00 53.55 N ATOM 402 CA THR A 26 -5.453 3.824 -10.831 1.00 75.34 C ATOM 403 C THR A 26 -5.672 3.663 -12.328 1.00 72.12 C ATOM 404 O THR A 26 -6.265 4.527 -12.998 1.00 40.03 O ATOM 405 CB THR A 26 -6.728 3.426 -10.046 1.00 15.11 C ATOM 406 OG1 THR A 26 -7.693 4.490 -10.069 1.00 64.24 O ATOM 407 CG2 THR A 26 -6.402 3.048 -8.619 1.00 12.03 C ATOM 0 H THR A 26 -5.544 5.885 -10.849 1.00 53.55 H new ATOM 0 HA THR A 26 -4.658 3.137 -10.541 1.00 75.34 H new ATOM 0 HB THR A 26 -7.157 2.553 -10.538 1.00 15.11 H new ATOM 0 HG1 THR A 26 -8.491 4.218 -9.570 1.00 64.24 H new ATOM 0 HG21 THR A 26 -7.319 2.774 -8.097 1.00 12.03 H new ATOM 0 HG22 THR A 26 -5.715 2.202 -8.615 1.00 12.03 H new ATOM 0 HG23 THR A 26 -5.937 3.895 -8.115 1.00 12.03 H new ATOM 415 N TYR A 27 -5.156 2.586 -12.854 1.00 71.54 N ATOM 416 CA TYR A 27 -5.386 2.203 -14.225 1.00 31.45 C ATOM 417 C TYR A 27 -6.296 1.021 -14.239 1.00 12.43 C ATOM 418 O TYR A 27 -6.131 0.123 -13.435 1.00 53.02 O ATOM 419 CB TYR A 27 -4.070 1.838 -14.909 1.00 24.21 C ATOM 420 CG TYR A 27 -3.182 3.009 -15.146 1.00 71.44 C ATOM 421 CD1 TYR A 27 -2.338 3.458 -14.163 1.00 44.00 C ATOM 422 CD2 TYR A 27 -3.207 3.683 -16.359 1.00 0.03 C ATOM 423 CE1 TYR A 27 -1.538 4.545 -14.364 1.00 10.23 C ATOM 424 CE2 TYR A 27 -2.409 4.780 -16.575 1.00 52.03 C ATOM 425 CZ TYR A 27 -1.575 5.211 -15.572 1.00 3.20 C ATOM 426 OH TYR A 27 -0.779 6.318 -15.775 1.00 63.04 O ATOM 0 H TYR A 27 -4.557 1.941 -12.339 1.00 71.54 H new ATOM 0 HA TYR A 27 -5.834 3.038 -14.763 1.00 31.45 H new ATOM 0 HB2 TYR A 27 -3.541 1.108 -14.296 1.00 24.21 H new ATOM 0 HB3 TYR A 27 -4.286 1.356 -15.863 1.00 24.21 H new ATOM 0 HD1 TYR A 27 -2.306 2.943 -13.214 1.00 44.00 H new ATOM 0 HD2 TYR A 27 -3.864 3.340 -17.145 1.00 0.03 H new ATOM 0 HE1 TYR A 27 -0.877 4.883 -13.579 1.00 10.23 H new ATOM 0 HE2 TYR A 27 -2.437 5.298 -17.522 1.00 52.03 H new ATOM 0 HH TYR A 27 -0.927 6.666 -16.679 1.00 63.04 H new ATOM 436 N THR A 28 -7.283 1.029 -15.090 1.00 33.11 N ATOM 437 CA THR A 28 -8.147 -0.103 -15.186 1.00 62.45 C ATOM 438 C THR A 28 -7.972 -0.774 -16.547 1.00 62.22 C ATOM 439 O THR A 28 -8.148 -0.149 -17.588 1.00 52.02 O ATOM 440 CB THR A 28 -9.628 0.269 -14.911 1.00 42.10 C ATOM 441 OG1 THR A 28 -9.669 1.027 -13.679 1.00 62.43 O ATOM 442 CG2 THR A 28 -10.483 -1.007 -14.721 1.00 21.22 C ATOM 0 H THR A 28 -7.504 1.801 -15.719 1.00 33.11 H new ATOM 0 HA THR A 28 -7.866 -0.815 -14.410 1.00 62.45 H new ATOM 0 HB THR A 28 -10.022 0.839 -15.752 1.00 42.10 H new ATOM 0 HG1 THR A 28 -10.595 1.278 -13.480 1.00 62.43 H new ATOM 0 HG21 THR A 28 -11.519 -0.726 -14.529 1.00 21.22 H new ATOM 0 HG22 THR A 28 -10.434 -1.616 -15.624 1.00 21.22 H new ATOM 0 HG23 THR A 28 -10.100 -1.579 -13.876 1.00 21.22 H new ATOM 450 N ILE A 29 -7.595 -2.027 -16.511 1.00 70.51 N ATOM 451 CA ILE A 29 -7.354 -2.834 -17.690 1.00 50.13 C ATOM 452 C ILE A 29 -8.551 -3.744 -17.885 1.00 30.23 C ATOM 453 O ILE A 29 -9.057 -4.297 -16.934 1.00 50.52 O ATOM 454 CB ILE A 29 -6.095 -3.738 -17.484 1.00 22.32 C ATOM 455 CG1 ILE A 29 -4.845 -2.906 -17.199 1.00 32.52 C ATOM 456 CG2 ILE A 29 -5.870 -4.622 -18.695 1.00 45.32 C ATOM 457 CD1 ILE A 29 -3.641 -3.711 -16.816 1.00 1.41 C ATOM 0 H ILE A 29 -7.442 -2.532 -15.638 1.00 70.51 H new ATOM 0 HA ILE A 29 -7.196 -2.181 -18.548 1.00 50.13 H new ATOM 0 HB ILE A 29 -6.283 -4.368 -16.615 1.00 22.32 H new ATOM 0 HG12 ILE A 29 -4.606 -2.316 -18.084 1.00 32.52 H new ATOM 0 HG13 ILE A 29 -5.067 -2.202 -16.397 1.00 32.52 H new ATOM 0 HG21 ILE A 29 -4.990 -5.244 -18.533 1.00 45.32 H new ATOM 0 HG22 ILE A 29 -6.741 -5.259 -18.847 1.00 45.32 H new ATOM 0 HG23 ILE A 29 -5.717 -3.999 -19.577 1.00 45.32 H new ATOM 0 HD11 ILE A 29 -2.800 -3.043 -16.632 1.00 1.41 H new ATOM 0 HD12 ILE A 29 -3.857 -4.281 -15.912 1.00 1.41 H new ATOM 0 HD13 ILE A 29 -3.389 -4.396 -17.625 1.00 1.41 H new ATOM 469 N THR A 30 -8.995 -3.871 -19.083 1.00 12.01 N ATOM 470 CA THR A 30 -10.108 -4.737 -19.399 1.00 70.30 C ATOM 471 C THR A 30 -9.810 -5.593 -20.637 1.00 61.05 C ATOM 472 O THR A 30 -10.315 -5.332 -21.735 1.00 24.14 O ATOM 473 CB THR A 30 -11.460 -3.968 -19.555 1.00 24.24 C ATOM 474 OG1 THR A 30 -11.331 -2.910 -20.532 1.00 20.22 O ATOM 475 CG2 THR A 30 -11.919 -3.368 -18.229 1.00 1.30 C ATOM 0 H THR A 30 -8.604 -3.380 -19.887 1.00 12.01 H new ATOM 0 HA THR A 30 -10.232 -5.400 -18.543 1.00 70.30 H new ATOM 0 HB THR A 30 -12.205 -4.690 -19.889 1.00 24.24 H new ATOM 0 HG1 THR A 30 -10.934 -3.269 -21.353 1.00 20.22 H new ATOM 0 HG21 THR A 30 -12.862 -2.841 -18.375 1.00 1.30 H new ATOM 0 HG22 THR A 30 -12.058 -4.164 -17.498 1.00 1.30 H new ATOM 0 HG23 THR A 30 -11.165 -2.669 -17.865 1.00 1.30 H new ATOM 483 N GLU A 31 -8.949 -6.571 -20.479 1.00 2.43 N ATOM 484 CA GLU A 31 -8.565 -7.407 -21.597 1.00 21.52 C ATOM 485 C GLU A 31 -9.522 -8.563 -21.736 1.00 4.21 C ATOM 486 O GLU A 31 -9.422 -9.554 -21.014 1.00 45.42 O ATOM 487 CB GLU A 31 -7.129 -7.911 -21.452 1.00 23.42 C ATOM 488 CG GLU A 31 -6.103 -6.803 -21.346 1.00 24.14 C ATOM 489 CD GLU A 31 -6.195 -5.804 -22.476 1.00 2.44 C ATOM 490 OE1 GLU A 31 -6.071 -6.197 -23.661 1.00 1.14 O ATOM 491 OE2 GLU A 31 -6.396 -4.619 -22.203 1.00 11.12 O ATOM 0 H GLU A 31 -8.502 -6.808 -19.593 1.00 2.43 H new ATOM 0 HA GLU A 31 -8.611 -6.801 -22.502 1.00 21.52 H new ATOM 0 HB2 GLU A 31 -7.062 -8.542 -20.566 1.00 23.42 H new ATOM 0 HB3 GLU A 31 -6.885 -8.539 -22.309 1.00 23.42 H new ATOM 0 HG2 GLU A 31 -6.234 -6.283 -20.397 1.00 24.14 H new ATOM 0 HG3 GLU A 31 -5.104 -7.240 -21.335 1.00 24.14 H new ATOM 498 N GLY A 32 -10.452 -8.436 -22.655 1.00 24.42 N ATOM 499 CA GLY A 32 -11.474 -9.434 -22.798 1.00 1.31 C ATOM 500 C GLY A 32 -12.406 -9.354 -21.612 1.00 73.35 C ATOM 501 O GLY A 32 -12.776 -8.248 -21.189 1.00 1.40 O ATOM 0 H GLY A 32 -10.518 -7.655 -23.308 1.00 24.42 H new ATOM 0 HA2 GLY A 32 -12.028 -9.277 -23.724 1.00 1.31 H new ATOM 0 HA3 GLY A 32 -11.026 -10.426 -22.859 1.00 1.31 H new ATOM 505 N SER A 33 -12.789 -10.470 -21.069 1.00 11.03 N ATOM 506 CA SER A 33 -13.543 -10.461 -19.854 1.00 52.50 C ATOM 507 C SER A 33 -12.566 -10.413 -18.684 1.00 35.32 C ATOM 508 O SER A 33 -12.139 -11.446 -18.160 1.00 11.20 O ATOM 509 CB SER A 33 -14.472 -11.671 -19.772 1.00 50.03 C ATOM 510 OG SER A 33 -15.357 -11.686 -20.892 1.00 61.14 O ATOM 0 H SER A 33 -12.592 -11.396 -21.448 1.00 11.03 H new ATOM 0 HA SER A 33 -14.185 -9.581 -19.821 1.00 52.50 H new ATOM 0 HB2 SER A 33 -13.885 -12.589 -19.750 1.00 50.03 H new ATOM 0 HB3 SER A 33 -15.046 -11.637 -18.846 1.00 50.03 H new ATOM 0 HG SER A 33 -15.947 -12.466 -20.832 1.00 61.14 H new ATOM 516 N LEU A 34 -12.129 -9.216 -18.368 1.00 71.31 N ATOM 517 CA LEU A 34 -11.161 -9.000 -17.334 1.00 61.02 C ATOM 518 C LEU A 34 -11.223 -7.569 -16.870 1.00 54.41 C ATOM 519 O LEU A 34 -11.546 -6.685 -17.646 1.00 31.41 O ATOM 520 CB LEU A 34 -9.755 -9.283 -17.878 1.00 73.43 C ATOM 521 CG LEU A 34 -8.595 -9.117 -16.900 1.00 64.45 C ATOM 522 CD1 LEU A 34 -8.676 -10.139 -15.788 1.00 53.42 C ATOM 523 CD2 LEU A 34 -7.268 -9.196 -17.620 1.00 70.43 C ATOM 0 H LEU A 34 -12.442 -8.362 -18.829 1.00 71.31 H new ATOM 0 HA LEU A 34 -11.378 -9.668 -16.500 1.00 61.02 H new ATOM 0 HB2 LEU A 34 -9.736 -10.305 -18.258 1.00 73.43 H new ATOM 0 HB3 LEU A 34 -9.580 -8.624 -18.728 1.00 73.43 H new ATOM 0 HG LEU A 34 -8.671 -8.128 -16.449 1.00 64.45 H new ATOM 0 HD11 LEU A 34 -7.839 -10.000 -15.104 1.00 53.42 H new ATOM 0 HD12 LEU A 34 -9.613 -10.012 -15.245 1.00 53.42 H new ATOM 0 HD13 LEU A 34 -8.635 -11.142 -16.212 1.00 53.42 H new ATOM 0 HD21 LEU A 34 -6.457 -9.075 -16.902 1.00 70.43 H new ATOM 0 HD22 LEU A 34 -7.177 -10.165 -18.110 1.00 70.43 H new ATOM 0 HD23 LEU A 34 -7.212 -8.405 -18.368 1.00 70.43 H new ATOM 535 N ARG A 35 -10.955 -7.363 -15.618 1.00 61.05 N ATOM 536 CA ARG A 35 -10.805 -6.041 -15.055 1.00 10.23 C ATOM 537 C ARG A 35 -9.547 -6.020 -14.271 1.00 13.15 C ATOM 538 O ARG A 35 -9.263 -6.955 -13.586 1.00 61.21 O ATOM 539 CB ARG A 35 -11.940 -5.702 -14.120 1.00 52.21 C ATOM 540 CG ARG A 35 -13.278 -5.561 -14.770 1.00 15.43 C ATOM 541 CD ARG A 35 -14.311 -5.211 -13.736 1.00 20.44 C ATOM 542 NE ARG A 35 -14.079 -3.890 -13.151 1.00 4.44 N ATOM 543 CZ ARG A 35 -14.190 -3.594 -11.853 1.00 22.15 C ATOM 544 NH1 ARG A 35 -14.398 -4.564 -10.951 1.00 45.53 N ATOM 545 NH2 ARG A 35 -14.068 -2.327 -11.450 1.00 43.35 N ATOM 0 H ARG A 35 -10.831 -8.116 -14.941 1.00 61.05 H new ATOM 0 HA ARG A 35 -10.797 -5.316 -15.869 1.00 10.23 H new ATOM 0 HB2 ARG A 35 -12.005 -6.477 -13.356 1.00 52.21 H new ATOM 0 HB3 ARG A 35 -11.702 -4.769 -13.608 1.00 52.21 H new ATOM 0 HG2 ARG A 35 -13.241 -4.787 -15.537 1.00 15.43 H new ATOM 0 HG3 ARG A 35 -13.550 -6.491 -15.269 1.00 15.43 H new ATOM 0 HD2 ARG A 35 -15.301 -5.237 -14.190 1.00 20.44 H new ATOM 0 HD3 ARG A 35 -14.303 -5.963 -12.947 1.00 20.44 H new ATOM 0 HE ARG A 35 -13.812 -3.136 -13.784 1.00 4.44 H new ATOM 0 HH11 ARG A 35 -14.472 -5.535 -11.254 1.00 45.53 H new ATOM 0 HH12 ARG A 35 -14.482 -4.331 -9.962 1.00 45.53 H new ATOM 0 HH21 ARG A 35 -13.891 -1.590 -12.132 1.00 43.35 H new ATOM 0 HH22 ARG A 35 -14.152 -2.096 -10.460 1.00 43.35 H new ATOM 559 N CYS A 36 -8.782 -5.008 -14.395 1.00 33.40 N ATOM 560 CA CYS A 36 -7.611 -4.902 -13.596 1.00 3.01 C ATOM 561 C CYS A 36 -7.470 -3.492 -13.141 1.00 34.43 C ATOM 562 O CYS A 36 -7.738 -2.596 -13.891 1.00 44.10 O ATOM 563 CB CYS A 36 -6.384 -5.294 -14.365 1.00 30.03 C ATOM 564 SG CYS A 36 -5.036 -5.831 -13.259 1.00 4.40 S ATOM 0 H CYS A 36 -8.939 -4.235 -15.041 1.00 33.40 H new ATOM 0 HA CYS A 36 -7.709 -5.578 -12.746 1.00 3.01 H new ATOM 0 HB2 CYS A 36 -6.630 -6.100 -15.056 1.00 30.03 H new ATOM 0 HB3 CYS A 36 -6.047 -4.450 -14.966 1.00 30.03 H new ATOM 569 N VAL A 37 -7.073 -3.291 -11.925 1.00 54.13 N ATOM 570 CA VAL A 37 -6.912 -1.971 -11.397 1.00 30.23 C ATOM 571 C VAL A 37 -5.521 -1.860 -10.815 1.00 42.55 C ATOM 572 O VAL A 37 -5.111 -2.712 -10.035 1.00 34.30 O ATOM 573 CB VAL A 37 -7.963 -1.663 -10.302 1.00 41.25 C ATOM 574 CG1 VAL A 37 -7.867 -0.225 -9.842 1.00 42.24 C ATOM 575 CG2 VAL A 37 -9.368 -1.988 -10.781 1.00 21.40 C ATOM 0 H VAL A 37 -6.850 -4.038 -11.267 1.00 54.13 H new ATOM 0 HA VAL A 37 -7.055 -1.248 -12.200 1.00 30.23 H new ATOM 0 HB VAL A 37 -7.746 -2.303 -9.447 1.00 41.25 H new ATOM 0 HG11 VAL A 37 -8.617 -0.038 -9.073 1.00 42.24 H new ATOM 0 HG12 VAL A 37 -6.874 -0.039 -9.433 1.00 42.24 H new ATOM 0 HG13 VAL A 37 -8.041 0.440 -10.688 1.00 42.24 H new ATOM 0 HG21 VAL A 37 -10.083 -1.761 -9.991 1.00 21.40 H new ATOM 0 HG22 VAL A 37 -9.599 -1.390 -11.662 1.00 21.40 H new ATOM 0 HG23 VAL A 37 -9.430 -3.046 -11.034 1.00 21.40 H new ATOM 585 N ILE A 38 -4.799 -0.842 -11.198 1.00 63.42 N ATOM 586 CA ILE A 38 -3.450 -0.672 -10.715 1.00 53.02 C ATOM 587 C ILE A 38 -3.356 0.593 -9.901 1.00 11.34 C ATOM 588 O ILE A 38 -3.593 1.673 -10.411 1.00 2.15 O ATOM 589 CB ILE A 38 -2.377 -0.591 -11.868 1.00 34.33 C ATOM 590 CG1 ILE A 38 -2.444 -1.781 -12.815 1.00 10.41 C ATOM 591 CG2 ILE A 38 -0.974 -0.467 -11.320 1.00 12.04 C ATOM 592 CD1 ILE A 38 -3.473 -1.652 -13.889 1.00 13.10 C ATOM 0 H ILE A 38 -5.118 -0.118 -11.841 1.00 63.42 H new ATOM 0 HA ILE A 38 -3.230 -1.555 -10.114 1.00 53.02 H new ATOM 0 HB ILE A 38 -2.621 0.309 -12.433 1.00 34.33 H new ATOM 0 HG12 ILE A 38 -1.467 -1.918 -13.278 1.00 10.41 H new ATOM 0 HG13 ILE A 38 -2.651 -2.681 -12.236 1.00 10.41 H new ATOM 0 HG21 ILE A 38 -0.264 -0.414 -12.146 1.00 12.04 H new ATOM 0 HG22 ILE A 38 -0.898 0.438 -10.717 1.00 12.04 H new ATOM 0 HG23 ILE A 38 -0.747 -1.335 -10.702 1.00 12.04 H new ATOM 0 HD11 ILE A 38 -3.455 -2.541 -14.519 1.00 13.10 H new ATOM 0 HD12 ILE A 38 -4.459 -1.548 -13.437 1.00 13.10 H new ATOM 0 HD13 ILE A 38 -3.257 -0.773 -14.496 1.00 13.10 H new ATOM 604 N PHE A 39 -3.016 0.434 -8.654 1.00 64.41 N ATOM 605 CA PHE A 39 -2.815 1.512 -7.723 1.00 72.44 C ATOM 606 C PHE A 39 -1.349 1.836 -7.635 1.00 24.55 C ATOM 607 O PHE A 39 -0.557 1.003 -7.164 1.00 64.32 O ATOM 608 CB PHE A 39 -3.284 1.110 -6.326 1.00 62.24 C ATOM 609 CG PHE A 39 -4.755 1.062 -6.133 1.00 34.23 C ATOM 610 CD1 PHE A 39 -5.511 0.004 -6.604 1.00 61.50 C ATOM 611 CD2 PHE A 39 -5.386 2.094 -5.466 1.00 35.12 C ATOM 612 CE1 PHE A 39 -6.880 -0.017 -6.410 1.00 12.44 C ATOM 613 CE2 PHE A 39 -6.742 2.083 -5.269 1.00 20.34 C ATOM 614 CZ PHE A 39 -7.497 1.024 -5.741 1.00 21.01 C ATOM 0 H PHE A 39 -2.865 -0.486 -8.240 1.00 64.41 H new ATOM 0 HA PHE A 39 -3.385 2.372 -8.075 1.00 72.44 H new ATOM 0 HB2 PHE A 39 -2.873 0.128 -6.093 1.00 62.24 H new ATOM 0 HB3 PHE A 39 -2.864 1.811 -5.605 1.00 62.24 H new ATOM 0 HD1 PHE A 39 -5.030 -0.810 -7.126 1.00 61.50 H new ATOM 0 HD2 PHE A 39 -4.801 2.922 -5.094 1.00 35.12 H new ATOM 0 HE1 PHE A 39 -7.466 -0.845 -6.780 1.00 12.44 H new ATOM 0 HE2 PHE A 39 -7.220 2.899 -4.747 1.00 20.34 H new ATOM 0 HZ PHE A 39 -8.566 1.010 -5.587 1.00 21.01 H new ATOM 624 N ILE A 40 -0.959 2.996 -8.089 1.00 45.34 N ATOM 625 CA ILE A 40 0.429 3.375 -7.986 1.00 62.20 C ATOM 626 C ILE A 40 0.570 4.216 -6.743 1.00 73.30 C ATOM 627 O ILE A 40 -0.050 5.276 -6.651 1.00 62.43 O ATOM 628 CB ILE A 40 0.867 4.236 -9.193 1.00 55.02 C ATOM 629 CG1 ILE A 40 0.333 3.636 -10.478 1.00 10.25 C ATOM 630 CG2 ILE A 40 2.383 4.352 -9.255 1.00 74.21 C ATOM 631 CD1 ILE A 40 0.885 4.264 -11.725 1.00 33.40 C ATOM 0 H ILE A 40 -1.568 3.687 -8.527 1.00 45.34 H new ATOM 0 HA ILE A 40 1.046 2.477 -7.957 1.00 62.20 H new ATOM 0 HB ILE A 40 0.455 5.238 -9.070 1.00 55.02 H new ATOM 0 HG12 ILE A 40 0.560 2.570 -10.490 1.00 10.25 H new ATOM 0 HG13 ILE A 40 -0.753 3.731 -10.487 1.00 10.25 H new ATOM 0 HG21 ILE A 40 2.666 4.962 -10.112 1.00 74.21 H new ATOM 0 HG22 ILE A 40 2.750 4.818 -8.341 1.00 74.21 H new ATOM 0 HG23 ILE A 40 2.820 3.359 -9.356 1.00 74.21 H new ATOM 0 HD11 ILE A 40 0.453 3.778 -12.599 1.00 33.40 H new ATOM 0 HD12 ILE A 40 0.635 5.325 -11.739 1.00 33.40 H new ATOM 0 HD13 ILE A 40 1.968 4.146 -11.743 1.00 33.40 H new ATOM 643 N THR A 41 1.348 3.772 -5.778 1.00 52.14 N ATOM 644 CA THR A 41 1.501 4.551 -4.597 1.00 31.43 C ATOM 645 C THR A 41 2.963 4.895 -4.392 1.00 34.13 C ATOM 646 O THR A 41 3.842 4.230 -4.933 1.00 63.32 O ATOM 647 CB THR A 41 0.925 3.868 -3.312 1.00 24.31 C ATOM 648 OG1 THR A 41 1.717 2.736 -2.929 1.00 1.01 O ATOM 649 CG2 THR A 41 -0.515 3.406 -3.512 1.00 43.44 C ATOM 0 H THR A 41 1.868 2.895 -5.798 1.00 52.14 H new ATOM 0 HA THR A 41 0.915 5.458 -4.748 1.00 31.43 H new ATOM 0 HB THR A 41 0.952 4.622 -2.525 1.00 24.31 H new ATOM 0 HG1 THR A 41 1.827 2.138 -3.698 1.00 1.01 H new ATOM 0 HG21 THR A 41 -0.877 2.937 -2.597 1.00 43.44 H new ATOM 0 HG22 THR A 41 -1.142 4.264 -3.753 1.00 43.44 H new ATOM 0 HG23 THR A 41 -0.556 2.686 -4.329 1.00 43.44 H new ATOM 657 N LYS A 42 3.206 5.906 -3.589 1.00 52.05 N ATOM 658 CA LYS A 42 4.563 6.403 -3.305 1.00 24.35 C ATOM 659 C LYS A 42 5.521 5.430 -2.571 1.00 43.40 C ATOM 660 O LYS A 42 6.666 5.792 -2.276 1.00 74.44 O ATOM 661 CB LYS A 42 4.559 7.824 -2.690 1.00 2.03 C ATOM 662 CG LYS A 42 3.464 8.096 -1.662 1.00 3.31 C ATOM 663 CD LYS A 42 3.499 7.145 -0.482 1.00 43.03 C ATOM 664 CE LYS A 42 2.349 7.421 0.464 1.00 35.15 C ATOM 665 NZ LYS A 42 2.340 6.488 1.601 1.00 33.43 N ATOM 0 H LYS A 42 2.472 6.421 -3.103 1.00 52.05 H new ATOM 0 HA LYS A 42 5.011 6.472 -4.296 1.00 24.35 H new ATOM 0 HB2 LYS A 42 5.526 7.999 -2.219 1.00 2.03 H new ATOM 0 HB3 LYS A 42 4.462 8.549 -3.498 1.00 2.03 H new ATOM 0 HG2 LYS A 42 3.563 9.119 -1.298 1.00 3.31 H new ATOM 0 HG3 LYS A 42 2.492 8.023 -2.149 1.00 3.31 H new ATOM 0 HD2 LYS A 42 3.445 6.116 -0.837 1.00 43.03 H new ATOM 0 HD3 LYS A 42 4.446 7.250 0.048 1.00 43.03 H new ATOM 0 HE2 LYS A 42 2.420 8.444 0.834 1.00 35.15 H new ATOM 0 HE3 LYS A 42 1.406 7.343 -0.078 1.00 35.15 H new ATOM 0 HZ1 LYS A 42 1.538 6.709 2.225 1.00 33.43 H new ATOM 0 HZ2 LYS A 42 2.246 5.514 1.250 1.00 33.43 H new ATOM 0 HZ3 LYS A 42 3.229 6.580 2.133 1.00 33.43 H new ATOM 679 N ARG A 43 5.095 4.211 -2.296 1.00 50.24 N ATOM 680 CA ARG A 43 6.017 3.257 -1.705 1.00 74.23 C ATOM 681 C ARG A 43 5.682 1.825 -2.141 1.00 34.45 C ATOM 682 O ARG A 43 6.194 0.852 -1.603 1.00 24.22 O ATOM 683 CB ARG A 43 6.047 3.386 -0.177 1.00 63.22 C ATOM 684 CG ARG A 43 7.243 2.702 0.447 1.00 24.01 C ATOM 685 CD ARG A 43 7.310 2.889 1.934 1.00 54.50 C ATOM 686 NE ARG A 43 8.558 2.343 2.455 1.00 42.13 N ATOM 687 CZ ARG A 43 8.833 2.122 3.734 1.00 74.02 C ATOM 688 NH1 ARG A 43 7.914 2.344 4.666 1.00 32.14 N ATOM 689 NH2 ARG A 43 10.030 1.663 4.076 1.00 73.34 N ATOM 0 H ARG A 43 4.150 3.865 -2.465 1.00 50.24 H new ATOM 0 HA ARG A 43 7.017 3.488 -2.071 1.00 74.23 H new ATOM 0 HB2 ARG A 43 6.056 4.442 0.094 1.00 63.22 H new ATOM 0 HB3 ARG A 43 5.133 2.959 0.237 1.00 63.22 H new ATOM 0 HG2 ARG A 43 7.205 1.636 0.221 1.00 24.01 H new ATOM 0 HG3 ARG A 43 8.155 3.092 -0.005 1.00 24.01 H new ATOM 0 HD2 ARG A 43 7.238 3.949 2.178 1.00 54.50 H new ATOM 0 HD3 ARG A 43 6.462 2.395 2.409 1.00 54.50 H new ATOM 0 HE ARG A 43 9.283 2.111 1.776 1.00 42.13 H new ATOM 0 HH11 ARG A 43 6.991 2.686 4.400 1.00 32.14 H new ATOM 0 HH12 ARG A 43 8.131 2.172 5.648 1.00 32.14 H new ATOM 0 HH21 ARG A 43 10.731 1.483 3.358 1.00 73.34 H new ATOM 0 HH22 ARG A 43 10.249 1.491 5.057 1.00 73.34 H new ATOM 703 N GLY A 44 4.878 1.695 -3.149 1.00 45.55 N ATOM 704 CA GLY A 44 4.506 0.385 -3.568 1.00 51.44 C ATOM 705 C GLY A 44 3.427 0.409 -4.569 1.00 74.41 C ATOM 706 O GLY A 44 2.866 1.463 -4.870 1.00 51.33 O ATOM 0 H GLY A 44 4.475 2.463 -3.686 1.00 45.55 H new ATOM 0 HA2 GLY A 44 5.376 -0.122 -3.985 1.00 51.44 H new ATOM 0 HA3 GLY A 44 4.184 -0.194 -2.703 1.00 51.44 H new ATOM 710 N LEU A 45 3.126 -0.716 -5.094 1.00 24.23 N ATOM 711 CA LEU A 45 2.092 -0.818 -6.071 1.00 1.40 C ATOM 712 C LEU A 45 1.125 -1.904 -5.729 1.00 65.04 C ATOM 713 O LEU A 45 1.471 -2.891 -5.075 1.00 44.23 O ATOM 714 CB LEU A 45 2.611 -0.993 -7.516 1.00 72.25 C ATOM 715 CG LEU A 45 3.289 0.216 -8.193 1.00 13.12 C ATOM 716 CD1 LEU A 45 4.685 0.498 -7.647 1.00 50.15 C ATOM 717 CD2 LEU A 45 3.309 0.035 -9.693 1.00 72.04 C ATOM 0 H LEU A 45 3.584 -1.598 -4.865 1.00 24.23 H new ATOM 0 HA LEU A 45 1.576 0.142 -6.045 1.00 1.40 H new ATOM 0 HB2 LEU A 45 3.322 -1.819 -7.518 1.00 72.25 H new ATOM 0 HB3 LEU A 45 1.769 -1.296 -8.139 1.00 72.25 H new ATOM 0 HG LEU A 45 2.691 1.095 -7.953 1.00 13.12 H new ATOM 0 HD11 LEU A 45 5.110 1.359 -8.162 1.00 50.15 H new ATOM 0 HD12 LEU A 45 4.622 0.708 -6.579 1.00 50.15 H new ATOM 0 HD13 LEU A 45 5.322 -0.372 -7.809 1.00 50.15 H new ATOM 0 HD21 LEU A 45 3.790 0.896 -10.157 1.00 72.04 H new ATOM 0 HD22 LEU A 45 3.864 -0.869 -9.943 1.00 72.04 H new ATOM 0 HD23 LEU A 45 2.287 -0.052 -10.063 1.00 72.04 H new ATOM 729 N LYS A 46 -0.067 -1.705 -6.133 1.00 64.34 N ATOM 730 CA LYS A 46 -1.126 -2.638 -5.949 1.00 44.43 C ATOM 731 C LYS A 46 -1.807 -2.886 -7.267 1.00 73.21 C ATOM 732 O LYS A 46 -2.236 -1.968 -7.927 1.00 71.41 O ATOM 733 CB LYS A 46 -2.116 -2.122 -4.898 1.00 71.31 C ATOM 734 CG LYS A 46 -3.489 -2.756 -4.982 1.00 5.12 C ATOM 735 CD LYS A 46 -4.448 -2.134 -4.005 1.00 64.11 C ATOM 736 CE LYS A 46 -5.863 -2.578 -4.305 1.00 34.44 C ATOM 737 NZ LYS A 46 -6.819 -2.142 -3.271 1.00 31.24 N ATOM 0 H LYS A 46 -0.353 -0.857 -6.622 1.00 64.34 H new ATOM 0 HA LYS A 46 -0.722 -3.582 -5.584 1.00 44.43 H new ATOM 0 HB2 LYS A 46 -1.704 -2.303 -3.905 1.00 71.31 H new ATOM 0 HB3 LYS A 46 -2.218 -1.042 -5.009 1.00 71.31 H new ATOM 0 HG2 LYS A 46 -3.879 -2.648 -5.994 1.00 5.12 H new ATOM 0 HG3 LYS A 46 -3.409 -3.825 -4.784 1.00 5.12 H new ATOM 0 HD2 LYS A 46 -4.178 -2.419 -2.988 1.00 64.11 H new ATOM 0 HD3 LYS A 46 -4.381 -1.047 -4.060 1.00 64.11 H new ATOM 0 HE2 LYS A 46 -6.169 -2.178 -5.271 1.00 34.44 H new ATOM 0 HE3 LYS A 46 -5.891 -3.665 -4.387 1.00 34.44 H new ATOM 0 HZ1 LYS A 46 -7.774 -2.470 -3.521 1.00 31.24 H new ATOM 0 HZ2 LYS A 46 -6.544 -2.544 -2.352 1.00 31.24 H new ATOM 0 HZ3 LYS A 46 -6.814 -1.104 -3.210 1.00 31.24 H new ATOM 751 N VAL A 47 -1.889 -4.106 -7.639 1.00 21.23 N ATOM 752 CA VAL A 47 -2.511 -4.485 -8.877 1.00 41.24 C ATOM 753 C VAL A 47 -3.619 -5.475 -8.592 1.00 52.31 C ATOM 754 O VAL A 47 -3.456 -6.388 -7.771 1.00 11.20 O ATOM 755 CB VAL A 47 -1.468 -5.061 -9.885 1.00 42.12 C ATOM 756 CG1 VAL A 47 -0.742 -6.267 -9.310 1.00 1.14 C ATOM 757 CG2 VAL A 47 -2.115 -5.408 -11.211 1.00 25.23 C ATOM 0 H VAL A 47 -1.526 -4.889 -7.096 1.00 21.23 H new ATOM 0 HA VAL A 47 -2.941 -3.601 -9.348 1.00 41.24 H new ATOM 0 HB VAL A 47 -0.729 -4.280 -10.063 1.00 42.12 H new ATOM 0 HG11 VAL A 47 -0.024 -6.641 -10.040 1.00 1.14 H new ATOM 0 HG12 VAL A 47 -0.217 -5.976 -8.400 1.00 1.14 H new ATOM 0 HG13 VAL A 47 -1.464 -7.050 -9.077 1.00 1.14 H new ATOM 0 HG21 VAL A 47 -1.361 -5.806 -11.890 1.00 25.23 H new ATOM 0 HG22 VAL A 47 -2.892 -6.156 -11.052 1.00 25.23 H new ATOM 0 HG23 VAL A 47 -2.558 -4.512 -11.646 1.00 25.23 H new ATOM 767 N CYS A 48 -4.748 -5.275 -9.200 1.00 43.11 N ATOM 768 CA CYS A 48 -5.847 -6.142 -8.957 1.00 31.52 C ATOM 769 C CYS A 48 -6.542 -6.510 -10.233 1.00 2.32 C ATOM 770 O CYS A 48 -7.284 -5.716 -10.780 1.00 71.41 O ATOM 771 CB CYS A 48 -6.830 -5.494 -7.989 1.00 14.22 C ATOM 772 SG CYS A 48 -8.152 -6.605 -7.439 1.00 43.32 S ATOM 0 H CYS A 48 -4.927 -4.522 -9.864 1.00 43.11 H new ATOM 0 HA CYS A 48 -5.459 -7.057 -8.509 1.00 31.52 H new ATOM 0 HB2 CYS A 48 -6.284 -5.134 -7.117 1.00 14.22 H new ATOM 0 HB3 CYS A 48 -7.276 -4.622 -8.468 1.00 14.22 H new ATOM 777 N CYS A 49 -6.281 -7.692 -10.724 1.00 74.32 N ATOM 778 CA CYS A 49 -6.951 -8.165 -11.903 1.00 34.32 C ATOM 779 C CYS A 49 -8.012 -9.189 -11.509 1.00 30.33 C ATOM 780 O CYS A 49 -7.756 -10.093 -10.722 1.00 13.23 O ATOM 781 CB CYS A 49 -5.983 -8.809 -12.913 1.00 34.53 C ATOM 782 SG CYS A 49 -4.703 -7.765 -13.739 1.00 54.14 S ATOM 0 H CYS A 49 -5.608 -8.345 -10.324 1.00 74.32 H new ATOM 0 HA CYS A 49 -7.406 -7.300 -12.385 1.00 34.32 H new ATOM 0 HB2 CYS A 49 -5.463 -9.617 -12.398 1.00 34.53 H new ATOM 0 HB3 CYS A 49 -6.586 -9.267 -13.697 1.00 34.53 H new ATOM 787 N ASP A 50 -9.176 -9.042 -12.063 1.00 14.42 N ATOM 788 CA ASP A 50 -10.275 -9.940 -11.839 1.00 14.53 C ATOM 789 C ASP A 50 -10.906 -10.244 -13.186 1.00 72.13 C ATOM 790 O ASP A 50 -11.331 -9.337 -13.879 1.00 64.42 O ATOM 791 CB ASP A 50 -11.328 -9.297 -10.926 1.00 52.23 C ATOM 792 CG ASP A 50 -12.454 -10.258 -10.568 1.00 31.32 C ATOM 793 OD1 ASP A 50 -12.311 -11.030 -9.582 1.00 34.45 O ATOM 794 OD2 ASP A 50 -13.487 -10.258 -11.266 1.00 74.22 O ATOM 0 H ASP A 50 -9.397 -8.276 -12.700 1.00 14.42 H new ATOM 0 HA ASP A 50 -9.913 -10.848 -11.357 1.00 14.53 H new ATOM 0 HB2 ASP A 50 -10.848 -8.949 -10.012 1.00 52.23 H new ATOM 0 HB3 ASP A 50 -11.746 -8.420 -11.420 1.00 52.23 H new ATOM 799 N PRO A 51 -10.967 -11.511 -13.584 1.00 71.23 N ATOM 800 CA PRO A 51 -11.526 -11.942 -14.890 1.00 1.44 C ATOM 801 C PRO A 51 -13.057 -11.810 -14.972 1.00 51.31 C ATOM 802 O PRO A 51 -13.698 -12.444 -15.826 1.00 74.41 O ATOM 803 CB PRO A 51 -11.121 -13.412 -14.957 1.00 32.33 C ATOM 804 CG PRO A 51 -11.048 -13.818 -13.539 1.00 32.01 C ATOM 805 CD PRO A 51 -10.499 -12.639 -12.805 1.00 72.54 C ATOM 0 HA PRO A 51 -11.156 -11.327 -15.710 1.00 1.44 H new ATOM 0 HB2 PRO A 51 -11.853 -14.005 -15.506 1.00 32.33 H new ATOM 0 HB3 PRO A 51 -10.163 -13.541 -15.461 1.00 32.33 H new ATOM 0 HG2 PRO A 51 -12.033 -14.091 -13.159 1.00 32.01 H new ATOM 0 HG3 PRO A 51 -10.406 -14.690 -13.415 1.00 32.01 H new ATOM 0 HD2 PRO A 51 -10.865 -12.598 -11.779 1.00 72.54 H new ATOM 0 HD3 PRO A 51 -9.411 -12.668 -12.754 1.00 72.54 H new ATOM 1207 N THR B 210 14.288 -2.616 -8.570 1.00 70.20 N ATOM 1208 CA THR B 210 13.662 -3.873 -8.349 1.00 52.21 C ATOM 1209 C THR B 210 12.347 -3.967 -9.135 1.00 10.41 C ATOM 1210 O THR B 210 11.647 -2.972 -9.324 1.00 61.53 O ATOM 1211 CB THR B 210 13.410 -4.051 -6.822 1.00 40.53 C ATOM 1212 OG1 THR B 210 14.674 -3.971 -6.125 1.00 50.45 O ATOM 1213 CG2 THR B 210 12.739 -5.386 -6.489 1.00 33.22 C ATOM 0 HA THR B 210 14.314 -4.672 -8.702 1.00 52.21 H new ATOM 0 HB THR B 210 12.734 -3.257 -6.505 1.00 40.53 H new ATOM 0 HG1 THR B 210 15.249 -3.310 -6.564 1.00 50.45 H new ATOM 0 HG21 THR B 210 12.587 -5.458 -5.412 1.00 33.22 H new ATOM 0 HG22 THR B 210 11.776 -5.446 -6.996 1.00 33.22 H new ATOM 0 HG23 THR B 210 13.376 -6.206 -6.821 1.00 33.22 H new ATOM 1221 N CYS B 211 12.028 -5.151 -9.582 1.00 74.02 N ATOM 1222 CA CYS B 211 10.789 -5.388 -10.247 1.00 51.34 C ATOM 1223 C CYS B 211 10.083 -6.407 -9.403 1.00 71.43 C ATOM 1224 O CYS B 211 10.730 -7.298 -8.839 1.00 35.22 O ATOM 1225 CB CYS B 211 11.017 -5.989 -11.648 1.00 5.24 C ATOM 1226 SG CYS B 211 12.155 -5.060 -12.755 1.00 1.13 S ATOM 0 H CYS B 211 12.624 -5.974 -9.492 1.00 74.02 H new ATOM 0 HA CYS B 211 10.229 -4.461 -10.370 1.00 51.34 H new ATOM 0 HB2 CYS B 211 11.406 -7.000 -11.528 1.00 5.24 H new ATOM 0 HB3 CYS B 211 10.051 -6.076 -12.145 1.00 5.24 H new ATOM 1231 N VAL B 212 8.807 -6.304 -9.298 1.00 32.35 N ATOM 1232 CA VAL B 212 8.059 -7.184 -8.454 1.00 11.51 C ATOM 1233 C VAL B 212 7.030 -7.946 -9.268 1.00 64.53 C ATOM 1234 O VAL B 212 6.340 -7.379 -10.111 1.00 51.55 O ATOM 1235 CB VAL B 212 7.428 -6.424 -7.240 1.00 62.33 C ATOM 1236 CG1 VAL B 212 8.521 -5.930 -6.304 1.00 31.45 C ATOM 1237 CG2 VAL B 212 6.598 -5.237 -7.711 1.00 33.25 C ATOM 0 H VAL B 212 8.246 -5.610 -9.792 1.00 32.35 H new ATOM 0 HA VAL B 212 8.742 -7.917 -8.025 1.00 11.51 H new ATOM 0 HB VAL B 212 6.778 -7.121 -6.711 1.00 62.33 H new ATOM 0 HG11 VAL B 212 8.069 -5.403 -5.464 1.00 31.45 H new ATOM 0 HG12 VAL B 212 9.094 -6.780 -5.934 1.00 31.45 H new ATOM 0 HG13 VAL B 212 9.183 -5.253 -6.843 1.00 31.45 H new ATOM 0 HG21 VAL B 212 6.171 -4.726 -6.848 1.00 33.25 H new ATOM 0 HG22 VAL B 212 7.233 -4.545 -8.264 1.00 33.25 H new ATOM 0 HG23 VAL B 212 5.795 -5.589 -8.359 1.00 33.25 H new ATOM 1247 N SER B 213 6.947 -9.216 -9.049 1.00 23.34 N ATOM 1248 CA SER B 213 6.102 -10.046 -9.852 1.00 53.43 C ATOM 1249 C SER B 213 5.384 -11.094 -9.035 1.00 31.33 C ATOM 1250 O SER B 213 6.010 -11.865 -8.295 1.00 21.21 O ATOM 1251 CB SER B 213 6.945 -10.681 -10.961 1.00 24.31 C ATOM 1252 OG SER B 213 8.128 -11.274 -10.420 1.00 74.44 O ATOM 0 H SER B 213 7.457 -9.708 -8.315 1.00 23.34 H new ATOM 0 HA SER B 213 5.322 -9.427 -10.295 1.00 53.43 H new ATOM 0 HB2 SER B 213 6.359 -11.438 -11.482 1.00 24.31 H new ATOM 0 HB3 SER B 213 7.216 -9.924 -11.697 1.00 24.31 H new ATOM 0 HG SER B 213 7.922 -11.682 -9.553 1.00 74.44 H new ATOM 1258 N LEU B 214 4.085 -11.129 -9.166 1.00 0.53 N ATOM 1259 CA LEU B 214 3.284 -12.111 -8.463 1.00 24.22 C ATOM 1260 C LEU B 214 2.431 -12.933 -9.362 1.00 1.21 C ATOM 1261 O LEU B 214 1.767 -12.432 -10.267 1.00 34.12 O ATOM 1262 CB LEU B 214 2.453 -11.536 -7.326 1.00 44.42 C ATOM 1263 CG LEU B 214 3.217 -11.105 -6.084 1.00 62.53 C ATOM 1264 CD1 LEU B 214 2.258 -10.589 -5.035 1.00 25.44 C ATOM 1265 CD2 LEU B 214 4.039 -12.254 -5.523 1.00 74.44 C ATOM 0 H LEU B 214 3.552 -10.489 -9.754 1.00 0.53 H new ATOM 0 HA LEU B 214 4.027 -12.770 -8.015 1.00 24.22 H new ATOM 0 HB2 LEU B 214 1.903 -10.675 -7.706 1.00 44.42 H new ATOM 0 HB3 LEU B 214 1.714 -12.281 -7.032 1.00 44.42 H new ATOM 0 HG LEU B 214 3.901 -10.304 -6.366 1.00 62.53 H new ATOM 0 HD11 LEU B 214 2.817 -10.283 -4.150 1.00 25.44 H new ATOM 0 HD12 LEU B 214 1.710 -9.734 -5.432 1.00 25.44 H new ATOM 0 HD13 LEU B 214 1.555 -11.377 -4.766 1.00 25.44 H new ATOM 0 HD21 LEU B 214 4.575 -11.918 -4.635 1.00 74.44 H new ATOM 0 HD22 LEU B 214 3.378 -13.079 -5.257 1.00 74.44 H new ATOM 0 HD23 LEU B 214 4.754 -12.590 -6.274 1.00 74.44 H new ATOM 1277 N THR B 215 2.434 -14.177 -9.082 1.00 64.21 N ATOM 1278 CA THR B 215 1.683 -15.133 -9.797 1.00 51.23 C ATOM 1279 C THR B 215 0.519 -15.489 -8.900 1.00 32.21 C ATOM 1280 O THR B 215 0.725 -15.777 -7.713 1.00 1.24 O ATOM 1281 CB THR B 215 2.551 -16.367 -10.083 1.00 55.41 C ATOM 1282 OG1 THR B 215 3.801 -15.925 -10.661 1.00 73.41 O ATOM 1283 CG2 THR B 215 1.854 -17.265 -11.080 1.00 13.43 C ATOM 0 H THR B 215 2.981 -14.575 -8.318 1.00 64.21 H new ATOM 0 HA THR B 215 1.338 -14.753 -10.759 1.00 51.23 H new ATOM 0 HB THR B 215 2.723 -16.914 -9.156 1.00 55.41 H new ATOM 0 HG1 THR B 215 4.368 -16.702 -10.848 1.00 73.41 H new ATOM 0 HG21 THR B 215 2.475 -18.139 -11.279 1.00 13.43 H new ATOM 0 HG22 THR B 215 0.895 -17.586 -10.672 1.00 13.43 H new ATOM 0 HG23 THR B 215 1.689 -16.718 -12.008 1.00 13.43 H new ATOM 1291 N THR B 216 -0.677 -15.449 -9.409 1.00 12.12 N ATOM 1292 CA THR B 216 -1.794 -15.575 -8.542 1.00 30.30 C ATOM 1293 C THR B 216 -2.978 -16.281 -9.200 1.00 63.22 C ATOM 1294 O THR B 216 -3.325 -15.989 -10.352 1.00 61.12 O ATOM 1295 CB THR B 216 -2.205 -14.150 -8.051 1.00 34.04 C ATOM 1296 OG1 THR B 216 -3.346 -14.209 -7.182 1.00 1.52 O ATOM 1297 CG2 THR B 216 -2.483 -13.206 -9.245 1.00 41.24 C ATOM 0 H THR B 216 -0.895 -15.333 -10.399 1.00 12.12 H new ATOM 0 HA THR B 216 -1.502 -16.200 -7.698 1.00 30.30 H new ATOM 0 HB THR B 216 -1.366 -13.745 -7.484 1.00 34.04 H new ATOM 0 HG1 THR B 216 -3.581 -13.304 -6.888 1.00 1.52 H new ATOM 0 HG21 THR B 216 -2.767 -12.222 -8.872 1.00 41.24 H new ATOM 0 HG22 THR B 216 -1.585 -13.118 -9.856 1.00 41.24 H new ATOM 0 HG23 THR B 216 -3.294 -13.613 -9.849 1.00 41.24 H new ATOM 1305 N GLN B 217 -3.577 -17.208 -8.430 1.00 62.14 N ATOM 1306 CA GLN B 217 -4.799 -17.964 -8.768 1.00 65.03 C ATOM 1307 C GLN B 217 -4.719 -18.637 -10.150 1.00 64.44 C ATOM 1308 O GLN B 217 -4.356 -19.820 -10.264 1.00 2.14 O ATOM 1309 CB GLN B 217 -6.045 -17.047 -8.648 1.00 14.53 C ATOM 1310 CG GLN B 217 -7.392 -17.736 -8.849 1.00 0.12 C ATOM 1311 CD GLN B 217 -7.648 -18.805 -7.814 1.00 45.23 C ATOM 1312 OE1 GLN B 217 -7.311 -19.964 -8.006 1.00 61.33 O ATOM 1313 NE2 GLN B 217 -8.228 -18.420 -6.704 1.00 74.31 N ATOM 0 H GLN B 217 -3.207 -17.462 -7.514 1.00 62.14 H new ATOM 0 HA GLN B 217 -4.893 -18.776 -8.047 1.00 65.03 H new ATOM 0 HB2 GLN B 217 -6.038 -16.582 -7.662 1.00 14.53 H new ATOM 0 HB3 GLN B 217 -5.955 -16.244 -9.380 1.00 14.53 H new ATOM 0 HG2 GLN B 217 -8.188 -16.993 -8.805 1.00 0.12 H new ATOM 0 HG3 GLN B 217 -7.425 -18.181 -9.844 1.00 0.12 H new ATOM 0 HE21 GLN B 217 -8.495 -17.443 -6.580 1.00 74.31 H new ATOM 0 HE22 GLN B 217 -8.413 -19.097 -5.964 1.00 74.31 H new ATOM 1322 N ARG B 218 -5.045 -17.854 -11.160 1.00 41.41 N ATOM 1323 CA ARG B 218 -5.032 -18.183 -12.559 1.00 24.21 C ATOM 1324 C ARG B 218 -5.736 -17.046 -13.251 1.00 73.03 C ATOM 1325 O ARG B 218 -6.959 -17.051 -13.382 1.00 24.32 O ATOM 1326 CB ARG B 218 -5.742 -19.512 -12.876 1.00 15.10 C ATOM 1327 CG ARG B 218 -5.703 -19.892 -14.351 1.00 20.45 C ATOM 1328 CD ARG B 218 -6.373 -21.230 -14.601 1.00 44.41 C ATOM 1329 NE ARG B 218 -7.780 -21.237 -14.184 1.00 11.24 N ATOM 1330 CZ ARG B 218 -8.634 -22.237 -14.420 1.00 30.10 C ATOM 1331 NH1 ARG B 218 -8.247 -23.298 -15.108 1.00 70.43 N ATOM 1332 NH2 ARG B 218 -9.876 -22.159 -13.975 1.00 33.43 N ATOM 0 H ARG B 218 -5.350 -16.894 -11.002 1.00 41.41 H new ATOM 0 HA ARG B 218 -4.004 -18.316 -12.897 1.00 24.21 H new ATOM 0 HB2 ARG B 218 -5.280 -20.308 -12.293 1.00 15.10 H new ATOM 0 HB3 ARG B 218 -6.781 -19.444 -12.555 1.00 15.10 H new ATOM 0 HG2 ARG B 218 -6.199 -19.120 -14.939 1.00 20.45 H new ATOM 0 HG3 ARG B 218 -4.668 -19.934 -14.689 1.00 20.45 H new ATOM 0 HD2 ARG B 218 -6.310 -21.472 -15.662 1.00 44.41 H new ATOM 0 HD3 ARG B 218 -5.833 -22.010 -14.063 1.00 44.41 H new ATOM 0 HE ARG B 218 -8.130 -20.423 -13.679 1.00 11.24 H new ATOM 0 HH11 ARG B 218 -7.292 -23.356 -15.462 1.00 70.43 H new ATOM 0 HH12 ARG B 218 -8.903 -24.058 -15.285 1.00 70.43 H new ATOM 0 HH21 ARG B 218 -10.180 -21.337 -13.453 1.00 33.43 H new ATOM 0 HH22 ARG B 218 -10.530 -22.921 -14.153 1.00 33.43 H new ATOM 1346 N LEU B 219 -4.991 -16.039 -13.593 1.00 32.30 N ATOM 1347 CA LEU B 219 -5.555 -14.860 -14.200 1.00 15.22 C ATOM 1348 C LEU B 219 -5.380 -14.967 -15.708 1.00 41.33 C ATOM 1349 O LEU B 219 -4.301 -14.759 -16.213 1.00 71.42 O ATOM 1350 CB LEU B 219 -4.849 -13.607 -13.612 1.00 61.14 C ATOM 1351 CG LEU B 219 -5.475 -12.222 -13.875 1.00 55.21 C ATOM 1352 CD1 LEU B 219 -5.402 -11.805 -15.338 1.00 5.01 C ATOM 1353 CD2 LEU B 219 -6.911 -12.211 -13.382 1.00 60.10 C ATOM 0 H LEU B 219 -3.980 -16.006 -13.462 1.00 32.30 H new ATOM 0 HA LEU B 219 -6.620 -14.769 -13.988 1.00 15.22 H new ATOM 0 HB2 LEU B 219 -4.780 -13.741 -12.532 1.00 61.14 H new ATOM 0 HB3 LEU B 219 -3.829 -13.589 -13.997 1.00 61.14 H new ATOM 0 HG LEU B 219 -4.890 -11.488 -13.321 1.00 55.21 H new ATOM 0 HD11 LEU B 219 -5.858 -10.823 -15.460 1.00 5.01 H new ATOM 0 HD12 LEU B 219 -4.359 -11.762 -15.653 1.00 5.01 H new ATOM 0 HD13 LEU B 219 -5.936 -12.531 -15.950 1.00 5.01 H new ATOM 0 HD21 LEU B 219 -7.352 -11.232 -13.568 1.00 60.10 H new ATOM 0 HD22 LEU B 219 -7.483 -12.973 -13.911 1.00 60.10 H new ATOM 0 HD23 LEU B 219 -6.930 -12.420 -12.312 1.00 60.10 H new ATOM 1365 N PRO B 220 -6.442 -15.311 -16.440 1.00 72.15 N ATOM 1366 CA PRO B 220 -6.345 -15.546 -17.862 1.00 11.32 C ATOM 1367 C PRO B 220 -6.411 -14.271 -18.708 1.00 44.13 C ATOM 1368 O PRO B 220 -7.178 -13.338 -18.416 1.00 62.03 O ATOM 1369 CB PRO B 220 -7.546 -16.448 -18.149 1.00 52.10 C ATOM 1370 CG PRO B 220 -8.566 -16.087 -17.113 1.00 34.13 C ATOM 1371 CD PRO B 220 -7.819 -15.481 -15.944 1.00 70.20 C ATOM 0 HA PRO B 220 -5.381 -15.982 -18.125 1.00 11.32 H new ATOM 0 HB2 PRO B 220 -7.931 -16.282 -19.155 1.00 52.10 H new ATOM 0 HB3 PRO B 220 -7.272 -17.501 -18.082 1.00 52.10 H new ATOM 0 HG2 PRO B 220 -9.290 -15.379 -17.516 1.00 34.13 H new ATOM 0 HG3 PRO B 220 -9.124 -16.969 -16.798 1.00 34.13 H new ATOM 0 HD2 PRO B 220 -8.255 -14.528 -15.645 1.00 70.20 H new ATOM 0 HD3 PRO B 220 -7.850 -16.133 -15.071 1.00 70.20 H new ATOM 1379 N VAL B 221 -5.603 -14.259 -19.749 1.00 40.20 N ATOM 1380 CA VAL B 221 -5.546 -13.195 -20.731 1.00 30.42 C ATOM 1381 C VAL B 221 -5.299 -13.829 -22.077 1.00 11.13 C ATOM 1382 O VAL B 221 -4.853 -14.985 -22.145 1.00 55.34 O ATOM 1383 CB VAL B 221 -4.409 -12.154 -20.454 1.00 11.43 C ATOM 1384 CG1 VAL B 221 -4.636 -11.424 -19.153 1.00 51.10 C ATOM 1385 CG2 VAL B 221 -3.030 -12.813 -20.463 1.00 11.50 C ATOM 0 H VAL B 221 -4.946 -15.015 -19.941 1.00 40.20 H new ATOM 0 HA VAL B 221 -6.490 -12.651 -20.689 1.00 30.42 H new ATOM 0 HB VAL B 221 -4.440 -11.425 -21.264 1.00 11.43 H new ATOM 0 HG11 VAL B 221 -3.829 -10.709 -18.991 1.00 51.10 H new ATOM 0 HG12 VAL B 221 -5.587 -10.894 -19.195 1.00 51.10 H new ATOM 0 HG13 VAL B 221 -4.656 -12.141 -18.332 1.00 51.10 H new ATOM 0 HG21 VAL B 221 -2.266 -12.061 -20.267 1.00 11.50 H new ATOM 0 HG22 VAL B 221 -2.989 -13.581 -19.691 1.00 11.50 H new ATOM 0 HG23 VAL B 221 -2.850 -13.268 -21.437 1.00 11.50 H new ATOM 1395 N SER B 222 -5.587 -13.127 -23.132 1.00 11.52 N ATOM 1396 CA SER B 222 -5.344 -13.656 -24.448 1.00 75.42 C ATOM 1397 C SER B 222 -3.947 -13.259 -24.975 1.00 42.30 C ATOM 1398 O SER B 222 -3.440 -13.846 -25.949 1.00 41.43 O ATOM 1399 CB SER B 222 -6.449 -13.201 -25.400 1.00 72.13 C ATOM 1400 OG SER B 222 -7.729 -13.619 -24.916 1.00 33.30 O ATOM 0 H SER B 222 -5.989 -12.190 -23.112 1.00 11.52 H new ATOM 0 HA SER B 222 -5.358 -14.744 -24.389 1.00 75.42 H new ATOM 0 HB2 SER B 222 -6.428 -12.116 -25.500 1.00 72.13 H new ATOM 0 HB3 SER B 222 -6.276 -13.616 -26.393 1.00 72.13 H new ATOM 0 HG SER B 222 -8.427 -13.319 -25.535 1.00 33.30 H new ATOM 1406 N ARG B 223 -3.306 -12.294 -24.328 1.00 55.33 N ATOM 1407 CA ARG B 223 -2.020 -11.829 -24.809 1.00 11.01 C ATOM 1408 C ARG B 223 -1.158 -11.297 -23.656 1.00 13.03 C ATOM 1409 O ARG B 223 -1.666 -10.606 -22.770 1.00 15.33 O ATOM 1410 CB ARG B 223 -2.259 -10.716 -25.828 1.00 31.44 C ATOM 1411 CG ARG B 223 -1.039 -10.284 -26.597 1.00 34.31 C ATOM 1412 CD ARG B 223 -0.536 -11.402 -27.476 1.00 24.24 C ATOM 1413 NE ARG B 223 0.614 -10.999 -28.272 1.00 13.04 N ATOM 1414 CZ ARG B 223 0.980 -11.585 -29.412 1.00 2.40 C ATOM 1415 NH1 ARG B 223 0.280 -12.618 -29.894 1.00 51.42 N ATOM 1416 NH2 ARG B 223 2.035 -11.139 -30.068 1.00 42.33 N ATOM 0 H ARG B 223 -3.649 -11.829 -23.487 1.00 55.33 H new ATOM 0 HA ARG B 223 -1.488 -12.662 -25.268 1.00 11.01 H new ATOM 0 HB2 ARG B 223 -3.017 -11.049 -26.537 1.00 31.44 H new ATOM 0 HB3 ARG B 223 -2.668 -9.850 -25.308 1.00 31.44 H new ATOM 0 HG2 ARG B 223 -1.278 -9.414 -27.209 1.00 34.31 H new ATOM 0 HG3 ARG B 223 -0.255 -9.980 -25.903 1.00 34.31 H new ATOM 0 HD2 ARG B 223 -0.265 -12.256 -26.856 1.00 24.24 H new ATOM 0 HD3 ARG B 223 -1.337 -11.730 -28.138 1.00 24.24 H new ATOM 0 HE ARG B 223 1.176 -10.217 -27.936 1.00 13.04 H new ATOM 0 HH11 ARG B 223 -0.537 -12.960 -29.389 1.00 51.42 H new ATOM 0 HH12 ARG B 223 0.564 -13.063 -30.767 1.00 51.42 H new ATOM 0 HH21 ARG B 223 2.567 -10.349 -29.702 1.00 42.33 H new ATOM 0 HH22 ARG B 223 2.319 -11.584 -30.941 1.00 42.33 H new ATOM 1430 N ILE B 224 0.134 -11.620 -23.676 1.00 62.04 N ATOM 1431 CA ILE B 224 1.073 -11.109 -22.678 1.00 14.01 C ATOM 1432 C ILE B 224 1.484 -9.722 -23.137 1.00 34.11 C ATOM 1433 O ILE B 224 2.216 -9.560 -24.128 1.00 71.33 O ATOM 1434 CB ILE B 224 2.351 -12.003 -22.564 1.00 14.30 C ATOM 1435 CG1 ILE B 224 1.997 -13.502 -22.343 1.00 3.24 C ATOM 1436 CG2 ILE B 224 3.268 -11.495 -21.451 1.00 51.22 C ATOM 1437 CD1 ILE B 224 1.208 -13.806 -21.108 1.00 24.32 C ATOM 0 H ILE B 224 0.555 -12.234 -24.373 1.00 62.04 H new ATOM 0 HA ILE B 224 0.594 -11.101 -21.699 1.00 14.01 H new ATOM 0 HB ILE B 224 2.881 -11.932 -23.514 1.00 14.30 H new ATOM 0 HG12 ILE B 224 1.435 -13.855 -23.208 1.00 3.24 H new ATOM 0 HG13 ILE B 224 2.924 -14.074 -22.310 1.00 3.24 H new ATOM 0 HG21 ILE B 224 4.151 -12.131 -21.388 1.00 51.22 H new ATOM 0 HG22 ILE B 224 3.573 -10.471 -21.669 1.00 51.22 H new ATOM 0 HG23 ILE B 224 2.735 -11.520 -20.501 1.00 51.22 H new ATOM 0 HD11 ILE B 224 1.017 -14.878 -21.053 1.00 24.32 H new ATOM 0 HD12 ILE B 224 1.772 -13.492 -20.230 1.00 24.32 H new ATOM 0 HD13 ILE B 224 0.260 -13.270 -21.141 1.00 24.32 H new ATOM 1449 N LYS B 225 1.001 -8.738 -22.459 1.00 73.12 N ATOM 1450 CA LYS B 225 1.197 -7.385 -22.866 1.00 3.14 C ATOM 1451 C LYS B 225 1.885 -6.591 -21.796 1.00 13.11 C ATOM 1452 O LYS B 225 1.921 -7.006 -20.628 1.00 71.32 O ATOM 1453 CB LYS B 225 -0.149 -6.784 -23.172 1.00 11.13 C ATOM 1454 CG LYS B 225 -1.072 -6.797 -21.991 1.00 73.15 C ATOM 1455 CD LYS B 225 -2.485 -6.390 -22.333 1.00 23.32 C ATOM 1456 CE LYS B 225 -3.111 -7.309 -23.369 1.00 61.40 C ATOM 1457 NZ LYS B 225 -2.793 -6.931 -24.773 1.00 2.14 N ATOM 0 H LYS B 225 0.457 -8.847 -21.603 1.00 73.12 H new ATOM 0 HA LYS B 225 1.834 -7.363 -23.750 1.00 3.14 H new ATOM 0 HB2 LYS B 225 -0.015 -5.757 -23.511 1.00 11.13 H new ATOM 0 HB3 LYS B 225 -0.609 -7.333 -23.993 1.00 11.13 H new ATOM 0 HG2 LYS B 225 -1.084 -7.798 -21.559 1.00 73.15 H new ATOM 0 HG3 LYS B 225 -0.682 -6.125 -21.227 1.00 73.15 H new ATOM 0 HD2 LYS B 225 -3.093 -6.398 -21.428 1.00 23.32 H new ATOM 0 HD3 LYS B 225 -2.486 -5.367 -22.709 1.00 23.32 H new ATOM 0 HE2 LYS B 225 -2.770 -8.329 -23.190 1.00 61.40 H new ATOM 0 HE3 LYS B 225 -4.193 -7.307 -23.237 1.00 61.40 H new ATOM 0 HZ1 LYS B 225 -3.676 -6.759 -25.295 1.00 2.14 H new ATOM 0 HZ2 LYS B 225 -2.214 -6.067 -24.777 1.00 2.14 H new ATOM 0 HZ3 LYS B 225 -2.266 -7.703 -25.230 1.00 2.14 H new ATOM 1471 N THR B 226 2.422 -5.470 -22.183 1.00 34.34 N ATOM 1472 CA THR B 226 3.070 -4.588 -21.272 1.00 22.44 C ATOM 1473 C THR B 226 2.506 -3.186 -21.346 1.00 72.35 C ATOM 1474 O THR B 226 2.345 -2.618 -22.431 1.00 55.53 O ATOM 1475 CB THR B 226 4.611 -4.555 -21.441 1.00 43.31 C ATOM 1476 OG1 THR B 226 4.977 -4.382 -22.816 1.00 2.11 O ATOM 1477 CG2 THR B 226 5.267 -5.796 -20.875 1.00 30.32 C ATOM 0 H THR B 226 2.419 -5.145 -23.150 1.00 34.34 H new ATOM 0 HA THR B 226 2.864 -4.996 -20.282 1.00 22.44 H new ATOM 0 HB THR B 226 4.974 -3.698 -20.874 1.00 43.31 H new ATOM 0 HG1 THR B 226 5.954 -4.363 -22.895 1.00 2.11 H new ATOM 0 HG21 THR B 226 6.346 -5.733 -21.014 1.00 30.32 H new ATOM 0 HG22 THR B 226 5.042 -5.874 -19.811 1.00 30.32 H new ATOM 0 HG23 THR B 226 4.886 -6.677 -21.392 1.00 30.32 H new ATOM 1485 N TYR B 227 2.181 -2.651 -20.202 1.00 23.21 N ATOM 1486 CA TYR B 227 1.747 -1.285 -20.090 1.00 54.30 C ATOM 1487 C TYR B 227 2.835 -0.504 -19.439 1.00 13.33 C ATOM 1488 O TYR B 227 3.384 -0.931 -18.432 1.00 42.44 O ATOM 1489 CB TYR B 227 0.444 -1.160 -19.287 1.00 35.02 C ATOM 1490 CG TYR B 227 -0.767 -1.661 -20.026 1.00 62.35 C ATOM 1491 CD1 TYR B 227 -1.135 -2.994 -19.987 1.00 21.41 C ATOM 1492 CD2 TYR B 227 -1.536 -0.788 -20.779 1.00 75.33 C ATOM 1493 CE1 TYR B 227 -2.239 -3.446 -20.680 1.00 0.01 C ATOM 1494 CE2 TYR B 227 -2.635 -1.226 -21.476 1.00 31.22 C ATOM 1495 CZ TYR B 227 -2.990 -2.554 -21.428 1.00 73.22 C ATOM 1496 OH TYR B 227 -4.096 -2.992 -22.147 1.00 72.34 O ATOM 0 H TYR B 227 2.210 -3.153 -19.315 1.00 23.21 H new ATOM 0 HA TYR B 227 1.539 -0.896 -21.087 1.00 54.30 H new ATOM 0 HB2 TYR B 227 0.546 -1.715 -18.355 1.00 35.02 H new ATOM 0 HB3 TYR B 227 0.290 -0.115 -19.020 1.00 35.02 H new ATOM 0 HD1 TYR B 227 -0.550 -3.691 -19.406 1.00 21.41 H new ATOM 0 HD2 TYR B 227 -1.266 0.257 -20.818 1.00 75.33 H new ATOM 0 HE1 TYR B 227 -2.516 -4.489 -20.640 1.00 0.01 H new ATOM 0 HE2 TYR B 227 -3.219 -0.530 -22.060 1.00 31.22 H new ATOM 0 HH TYR B 227 -4.615 -3.618 -21.600 1.00 72.34 H new ATOM 1506 N THR B 228 3.181 0.603 -20.019 1.00 2.03 N ATOM 1507 CA THR B 228 4.239 1.393 -19.499 1.00 23.03 C ATOM 1508 C THR B 228 3.689 2.679 -18.887 1.00 50.32 C ATOM 1509 O THR B 228 2.974 3.438 -19.538 1.00 64.22 O ATOM 1510 CB THR B 228 5.271 1.711 -20.594 1.00 10.31 C ATOM 1511 OG1 THR B 228 5.611 0.481 -21.271 1.00 2.43 O ATOM 1512 CG2 THR B 228 6.540 2.276 -19.968 1.00 62.22 C ATOM 0 H THR B 228 2.739 0.977 -20.859 1.00 2.03 H new ATOM 0 HA THR B 228 4.741 0.824 -18.716 1.00 23.03 H new ATOM 0 HB THR B 228 4.850 2.439 -21.287 1.00 10.31 H new ATOM 0 HG1 THR B 228 6.268 0.666 -21.975 1.00 2.43 H new ATOM 0 HG21 THR B 228 7.265 2.498 -20.752 1.00 62.22 H new ATOM 0 HG22 THR B 228 6.302 3.190 -19.425 1.00 62.22 H new ATOM 0 HG23 THR B 228 6.963 1.544 -19.279 1.00 62.22 H new ATOM 1520 N ILE B 229 4.007 2.890 -17.642 1.00 63.04 N ATOM 1521 CA ILE B 229 3.591 4.045 -16.900 1.00 35.31 C ATOM 1522 C ILE B 229 4.768 4.990 -16.817 1.00 40.15 C ATOM 1523 O ILE B 229 5.895 4.551 -16.705 1.00 65.24 O ATOM 1524 CB ILE B 229 3.166 3.652 -15.456 1.00 1.21 C ATOM 1525 CG1 ILE B 229 2.101 2.553 -15.506 1.00 3.15 C ATOM 1526 CG2 ILE B 229 2.624 4.875 -14.730 1.00 34.43 C ATOM 1527 CD1 ILE B 229 1.680 1.993 -14.175 1.00 41.53 C ATOM 0 H ILE B 229 4.580 2.244 -17.099 1.00 63.04 H new ATOM 0 HA ILE B 229 2.740 4.508 -17.399 1.00 35.31 H new ATOM 0 HB ILE B 229 4.034 3.274 -14.916 1.00 1.21 H new ATOM 0 HG12 ILE B 229 1.219 2.950 -16.008 1.00 3.15 H new ATOM 0 HG13 ILE B 229 2.477 1.736 -16.121 1.00 3.15 H new ATOM 0 HG21 ILE B 229 2.327 4.596 -13.719 1.00 34.43 H new ATOM 0 HG22 ILE B 229 3.397 5.642 -14.683 1.00 34.43 H new ATOM 0 HG23 ILE B 229 1.759 5.264 -15.268 1.00 34.43 H new ATOM 0 HD11 ILE B 229 0.923 1.223 -14.327 1.00 41.53 H new ATOM 0 HD12 ILE B 229 2.544 1.558 -13.673 1.00 41.53 H new ATOM 0 HD13 ILE B 229 1.267 2.791 -13.559 1.00 41.53 H new ATOM 1539 N THR B 230 4.516 6.242 -16.910 1.00 23.25 N ATOM 1540 CA THR B 230 5.542 7.240 -16.820 1.00 14.00 C ATOM 1541 C THR B 230 5.097 8.367 -15.892 1.00 40.22 C ATOM 1542 O THR B 230 4.319 9.243 -16.301 1.00 43.14 O ATOM 1543 CB THR B 230 5.949 7.787 -18.218 1.00 12.32 C ATOM 1544 OG1 THR B 230 4.778 8.211 -18.941 1.00 13.21 O ATOM 1545 CG2 THR B 230 6.696 6.734 -19.033 1.00 21.53 C ATOM 0 H THR B 230 3.579 6.620 -17.053 1.00 23.25 H new ATOM 0 HA THR B 230 6.431 6.770 -16.399 1.00 14.00 H new ATOM 0 HB THR B 230 6.615 8.636 -18.062 1.00 12.32 H new ATOM 0 HG1 THR B 230 4.186 8.710 -18.340 1.00 13.21 H new ATOM 0 HG21 THR B 230 6.966 7.149 -20.004 1.00 21.53 H new ATOM 0 HG22 THR B 230 7.600 6.437 -18.502 1.00 21.53 H new ATOM 0 HG23 THR B 230 6.056 5.863 -19.176 1.00 21.53 H new ATOM 1553 N GLU B 231 5.542 8.325 -14.642 1.00 1.11 N ATOM 1554 CA GLU B 231 5.149 9.334 -13.667 1.00 74.24 C ATOM 1555 C GLU B 231 6.302 10.231 -13.275 1.00 33.33 C ATOM 1556 O GLU B 231 7.146 9.854 -12.451 1.00 74.44 O ATOM 1557 CB GLU B 231 4.503 8.714 -12.402 1.00 32.01 C ATOM 1558 CG GLU B 231 3.218 7.955 -12.672 1.00 62.03 C ATOM 1559 CD GLU B 231 2.288 8.766 -13.492 1.00 44.52 C ATOM 1560 OE1 GLU B 231 2.092 9.962 -13.200 1.00 42.22 O ATOM 1561 OE2 GLU B 231 1.725 8.237 -14.454 1.00 44.52 O ATOM 0 H GLU B 231 6.171 7.608 -14.281 1.00 1.11 H new ATOM 0 HA GLU B 231 4.396 9.945 -14.164 1.00 74.24 H new ATOM 0 HB2 GLU B 231 5.220 8.039 -11.935 1.00 32.01 H new ATOM 0 HB3 GLU B 231 4.299 9.509 -11.684 1.00 32.01 H new ATOM 0 HG2 GLU B 231 3.444 7.021 -13.187 1.00 62.03 H new ATOM 0 HG3 GLU B 231 2.741 7.691 -11.728 1.00 62.03 H new ATOM 1568 N GLY B 232 6.349 11.402 -13.877 1.00 33.21 N ATOM 1569 CA GLY B 232 7.356 12.387 -13.560 1.00 1.21 C ATOM 1570 C GLY B 232 8.695 12.067 -14.180 1.00 22.13 C ATOM 1571 O GLY B 232 9.156 12.757 -15.084 1.00 71.22 O ATOM 0 H GLY B 232 5.690 11.695 -14.598 1.00 33.21 H new ATOM 0 HA2 GLY B 232 7.024 13.366 -13.906 1.00 1.21 H new ATOM 0 HA3 GLY B 232 7.467 12.453 -12.478 1.00 1.21 H new ATOM 1575 N SER B 233 9.312 11.032 -13.687 1.00 14.30 N ATOM 1576 CA SER B 233 10.612 10.568 -14.133 1.00 63.22 C ATOM 1577 C SER B 233 10.714 9.082 -13.771 1.00 44.13 C ATOM 1578 O SER B 233 11.776 8.575 -13.419 1.00 54.10 O ATOM 1579 CB SER B 233 11.693 11.370 -13.393 1.00 61.14 C ATOM 1580 OG SER B 233 11.518 12.771 -13.611 1.00 70.22 O ATOM 0 H SER B 233 8.918 10.463 -12.938 1.00 14.30 H new ATOM 0 HA SER B 233 10.744 10.701 -15.207 1.00 63.22 H new ATOM 0 HB2 SER B 233 11.647 11.154 -12.326 1.00 61.14 H new ATOM 0 HB3 SER B 233 12.681 11.063 -13.738 1.00 61.14 H new ATOM 0 HG SER B 233 12.214 13.266 -13.131 1.00 70.22 H new ATOM 1586 N LEU B 234 9.602 8.394 -13.918 1.00 55.03 N ATOM 1587 CA LEU B 234 9.478 7.017 -13.501 1.00 62.23 C ATOM 1588 C LEU B 234 8.826 6.205 -14.619 1.00 51.42 C ATOM 1589 O LEU B 234 7.750 6.545 -15.073 1.00 1.53 O ATOM 1590 CB LEU B 234 8.621 7.011 -12.191 1.00 51.52 C ATOM 1591 CG LEU B 234 8.348 5.688 -11.442 1.00 20.41 C ATOM 1592 CD1 LEU B 234 7.425 4.749 -12.209 1.00 15.45 C ATOM 1593 CD2 LEU B 234 9.647 4.999 -11.090 1.00 10.30 C ATOM 0 H LEU B 234 8.754 8.779 -14.333 1.00 55.03 H new ATOM 0 HA LEU B 234 10.447 6.561 -13.301 1.00 62.23 H new ATOM 0 HB2 LEU B 234 9.105 7.686 -11.486 1.00 51.52 H new ATOM 0 HB3 LEU B 234 7.653 7.448 -12.437 1.00 51.52 H new ATOM 0 HG LEU B 234 7.824 5.950 -10.523 1.00 20.41 H new ATOM 0 HD11 LEU B 234 7.272 3.838 -11.631 1.00 15.45 H new ATOM 0 HD12 LEU B 234 6.466 5.238 -12.376 1.00 15.45 H new ATOM 0 HD13 LEU B 234 7.877 4.498 -13.169 1.00 15.45 H new ATOM 0 HD21 LEU B 234 9.434 4.069 -10.563 1.00 10.30 H new ATOM 0 HD22 LEU B 234 10.202 4.780 -12.002 1.00 10.30 H new ATOM 0 HD23 LEU B 234 10.243 5.650 -10.451 1.00 10.30 H new ATOM 1605 N ARG B 235 9.482 5.142 -15.043 1.00 21.04 N ATOM 1606 CA ARG B 235 8.997 4.285 -16.073 1.00 62.34 C ATOM 1607 C ARG B 235 8.538 2.983 -15.449 1.00 71.12 C ATOM 1608 O ARG B 235 9.342 2.255 -14.919 1.00 35.45 O ATOM 1609 CB ARG B 235 10.133 3.957 -17.005 1.00 51.41 C ATOM 1610 CG ARG B 235 9.672 3.371 -18.292 1.00 34.02 C ATOM 1611 CD ARG B 235 10.826 3.149 -19.241 1.00 20.23 C ATOM 1612 NE ARG B 235 10.433 2.487 -20.497 1.00 52.14 N ATOM 1613 CZ ARG B 235 11.188 2.479 -21.612 1.00 63.53 C ATOM 1614 NH1 ARG B 235 12.274 3.248 -21.686 1.00 65.11 N ATOM 1615 NH2 ARG B 235 10.833 1.738 -22.652 1.00 41.03 N ATOM 0 H ARG B 235 10.385 4.856 -14.664 1.00 21.04 H new ATOM 0 HA ARG B 235 8.181 4.775 -16.604 1.00 62.34 H new ATOM 0 HB2 ARG B 235 10.704 4.863 -17.208 1.00 51.41 H new ATOM 0 HB3 ARG B 235 10.809 3.257 -16.514 1.00 51.41 H new ATOM 0 HG2 ARG B 235 9.168 2.424 -18.102 1.00 34.02 H new ATOM 0 HG3 ARG B 235 8.941 4.034 -18.754 1.00 34.02 H new ATOM 0 HD2 ARG B 235 11.285 4.110 -19.474 1.00 20.23 H new ATOM 0 HD3 ARG B 235 11.585 2.545 -18.743 1.00 20.23 H new ATOM 0 HE ARG B 235 9.534 2.005 -20.524 1.00 52.14 H new ATOM 0 HH11 ARG B 235 12.533 3.842 -20.898 1.00 65.11 H new ATOM 0 HH12 ARG B 235 12.846 3.242 -22.530 1.00 65.11 H new ATOM 0 HH21 ARG B 235 9.986 1.172 -22.609 1.00 41.03 H new ATOM 0 HH22 ARG B 235 11.407 1.734 -23.495 1.00 41.03 H new ATOM 1629 N CYS B 236 7.290 2.692 -15.494 1.00 62.50 N ATOM 1630 CA CYS B 236 6.826 1.467 -14.918 1.00 42.21 C ATOM 1631 C CYS B 236 6.336 0.567 -16.021 1.00 42.20 C ATOM 1632 O CYS B 236 5.752 1.034 -16.965 1.00 71.04 O ATOM 1633 CB CYS B 236 5.721 1.706 -13.909 1.00 14.31 C ATOM 1634 SG CYS B 236 5.671 0.410 -12.607 1.00 14.12 S ATOM 0 H CYS B 236 6.569 3.275 -15.919 1.00 62.50 H new ATOM 0 HA CYS B 236 7.653 0.996 -14.387 1.00 42.21 H new ATOM 0 HB2 CYS B 236 5.863 2.681 -13.443 1.00 14.31 H new ATOM 0 HB3 CYS B 236 4.761 1.736 -14.425 1.00 14.31 H new ATOM 1639 N VAL B 237 6.599 -0.697 -15.919 1.00 35.32 N ATOM 1640 CA VAL B 237 6.199 -1.633 -16.934 1.00 12.31 C ATOM 1641 C VAL B 237 5.388 -2.739 -16.290 1.00 72.41 C ATOM 1642 O VAL B 237 5.801 -3.301 -15.276 1.00 51.32 O ATOM 1643 CB VAL B 237 7.434 -2.246 -17.653 1.00 40.13 C ATOM 1644 CG1 VAL B 237 7.023 -3.165 -18.778 1.00 62.55 C ATOM 1645 CG2 VAL B 237 8.387 -1.165 -18.145 1.00 4.32 C ATOM 0 H VAL B 237 7.096 -1.114 -15.132 1.00 35.32 H new ATOM 0 HA VAL B 237 5.601 -1.107 -17.678 1.00 12.31 H new ATOM 0 HB VAL B 237 7.969 -2.847 -16.918 1.00 40.13 H new ATOM 0 HG11 VAL B 237 7.913 -3.574 -19.257 1.00 62.55 H new ATOM 0 HG12 VAL B 237 6.418 -3.979 -18.380 1.00 62.55 H new ATOM 0 HG13 VAL B 237 6.441 -2.606 -19.511 1.00 62.55 H new ATOM 0 HG21 VAL B 237 9.238 -1.629 -18.642 1.00 4.32 H new ATOM 0 HG22 VAL B 237 7.867 -0.514 -18.848 1.00 4.32 H new ATOM 0 HG23 VAL B 237 8.739 -0.577 -17.297 1.00 4.32 H new ATOM 1655 N ILE B 238 4.252 -3.038 -16.863 1.00 43.15 N ATOM 1656 CA ILE B 238 3.374 -4.057 -16.337 1.00 32.32 C ATOM 1657 C ILE B 238 3.263 -5.189 -17.339 1.00 32.41 C ATOM 1658 O ILE B 238 2.808 -4.982 -18.448 1.00 2.35 O ATOM 1659 CB ILE B 238 1.943 -3.495 -16.113 1.00 21.11 C ATOM 1660 CG1 ILE B 238 1.965 -2.257 -15.213 1.00 1.41 C ATOM 1661 CG2 ILE B 238 1.033 -4.573 -15.508 1.00 43.53 C ATOM 1662 CD1 ILE B 238 0.610 -1.602 -15.060 1.00 15.52 C ATOM 0 H ILE B 238 3.907 -2.583 -17.708 1.00 43.15 H new ATOM 0 HA ILE B 238 3.789 -4.402 -15.390 1.00 32.32 H new ATOM 0 HB ILE B 238 1.546 -3.199 -17.084 1.00 21.11 H new ATOM 0 HG12 ILE B 238 2.337 -2.539 -14.228 1.00 1.41 H new ATOM 0 HG13 ILE B 238 2.667 -1.531 -15.623 1.00 1.41 H new ATOM 0 HG21 ILE B 238 0.034 -4.163 -15.357 1.00 43.53 H new ATOM 0 HG22 ILE B 238 0.977 -5.425 -16.186 1.00 43.53 H new ATOM 0 HG23 ILE B 238 1.440 -4.898 -14.550 1.00 43.53 H new ATOM 0 HD11 ILE B 238 0.698 -0.731 -14.410 1.00 15.52 H new ATOM 0 HD12 ILE B 238 0.245 -1.289 -16.038 1.00 15.52 H new ATOM 0 HD13 ILE B 238 -0.090 -2.313 -14.622 1.00 15.52 H new ATOM 1674 N PHE B 239 3.681 -6.351 -16.934 1.00 41.50 N ATOM 1675 CA PHE B 239 3.585 -7.554 -17.718 1.00 45.25 C ATOM 1676 C PHE B 239 2.355 -8.323 -17.306 1.00 50.22 C ATOM 1677 O PHE B 239 2.303 -8.852 -16.184 1.00 52.11 O ATOM 1678 CB PHE B 239 4.799 -8.446 -17.486 1.00 63.13 C ATOM 1679 CG PHE B 239 6.045 -8.020 -18.173 1.00 25.52 C ATOM 1680 CD1 PHE B 239 6.822 -6.983 -17.685 1.00 45.52 C ATOM 1681 CD2 PHE B 239 6.438 -8.666 -19.326 1.00 31.40 C ATOM 1682 CE1 PHE B 239 7.978 -6.606 -18.344 1.00 21.44 C ATOM 1683 CE2 PHE B 239 7.579 -8.299 -19.987 1.00 62.03 C ATOM 1684 CZ PHE B 239 8.357 -7.264 -19.500 1.00 54.54 C ATOM 0 H PHE B 239 4.112 -6.496 -16.021 1.00 41.50 H new ATOM 0 HA PHE B 239 3.533 -7.273 -18.770 1.00 45.25 H new ATOM 0 HB2 PHE B 239 4.994 -8.494 -16.415 1.00 63.13 H new ATOM 0 HB3 PHE B 239 4.553 -9.457 -17.811 1.00 63.13 H new ATOM 0 HD1 PHE B 239 6.524 -6.466 -16.785 1.00 45.52 H new ATOM 0 HD2 PHE B 239 5.836 -9.474 -19.714 1.00 31.40 H new ATOM 0 HE1 PHE B 239 8.583 -5.800 -17.957 1.00 21.44 H new ATOM 0 HE2 PHE B 239 7.872 -8.817 -20.888 1.00 62.03 H new ATOM 0 HZ PHE B 239 9.257 -6.971 -20.020 1.00 54.54 H new ATOM 1694 N ILE B 240 1.362 -8.381 -18.157 1.00 3.50 N ATOM 1695 CA ILE B 240 0.173 -9.122 -17.816 1.00 53.41 C ATOM 1696 C ILE B 240 0.328 -10.504 -18.372 1.00 63.23 C ATOM 1697 O ILE B 240 0.453 -10.666 -19.588 1.00 2.21 O ATOM 1698 CB ILE B 240 -1.109 -8.508 -18.427 1.00 13.35 C ATOM 1699 CG1 ILE B 240 -1.079 -6.992 -18.291 1.00 0.02 C ATOM 1700 CG2 ILE B 240 -2.344 -9.090 -17.753 1.00 31.21 C ATOM 1701 CD1 ILE B 240 -2.386 -6.289 -18.610 1.00 52.20 C ATOM 0 H ILE B 240 1.350 -7.934 -19.074 1.00 3.50 H new ATOM 0 HA ILE B 240 0.065 -9.109 -16.731 1.00 53.41 H new ATOM 0 HB ILE B 240 -1.152 -8.756 -19.488 1.00 13.35 H new ATOM 0 HG12 ILE B 240 -0.789 -6.740 -17.271 1.00 0.02 H new ATOM 0 HG13 ILE B 240 -0.304 -6.599 -18.949 1.00 0.02 H new ATOM 0 HG21 ILE B 240 -3.239 -8.650 -18.192 1.00 31.21 H new ATOM 0 HG22 ILE B 240 -2.362 -10.170 -17.898 1.00 31.21 H new ATOM 0 HG23 ILE B 240 -2.316 -8.867 -16.686 1.00 31.21 H new ATOM 0 HD11 ILE B 240 -2.261 -5.214 -18.484 1.00 52.20 H new ATOM 0 HD12 ILE B 240 -2.672 -6.502 -19.640 1.00 52.20 H new ATOM 0 HD13 ILE B 240 -3.165 -6.645 -17.936 1.00 52.20 H new ATOM 1713 N THR B 241 0.337 -11.499 -17.523 1.00 53.12 N ATOM 1714 CA THR B 241 0.486 -12.824 -18.000 1.00 65.21 C ATOM 1715 C THR B 241 -0.735 -13.657 -17.647 1.00 65.42 C ATOM 1716 O THR B 241 -1.478 -13.315 -16.733 1.00 25.43 O ATOM 1717 CB THR B 241 1.795 -13.507 -17.511 1.00 14.35 C ATOM 1718 OG1 THR B 241 1.801 -13.640 -16.082 1.00 74.14 O ATOM 1719 CG2 THR B 241 3.018 -12.700 -17.913 1.00 22.43 C ATOM 0 H THR B 241 0.243 -11.406 -16.512 1.00 53.12 H new ATOM 0 HA THR B 241 0.568 -12.761 -19.085 1.00 65.21 H new ATOM 0 HB THR B 241 1.831 -14.491 -17.978 1.00 14.35 H new ATOM 0 HG1 THR B 241 1.007 -13.203 -15.709 1.00 74.14 H new ATOM 0 HG21 THR B 241 3.918 -13.202 -17.558 1.00 22.43 H new ATOM 0 HG22 THR B 241 3.056 -12.613 -18.999 1.00 22.43 H new ATOM 0 HG23 THR B 241 2.959 -11.705 -17.471 1.00 22.43 H new ATOM 1727 N LYS B 242 -0.917 -14.751 -18.351 1.00 13.50 N ATOM 1728 CA LYS B 242 -2.090 -15.618 -18.184 1.00 63.32 C ATOM 1729 C LYS B 242 -2.110 -16.479 -16.892 1.00 14.21 C ATOM 1730 O LYS B 242 -2.847 -17.476 -16.808 1.00 22.00 O ATOM 1731 CB LYS B 242 -2.383 -16.428 -19.478 1.00 33.45 C ATOM 1732 CG LYS B 242 -1.178 -17.106 -20.134 1.00 11.55 C ATOM 1733 CD LYS B 242 -0.519 -18.126 -19.242 1.00 14.43 C ATOM 1734 CE LYS B 242 0.681 -18.742 -19.938 1.00 21.02 C ATOM 1735 NZ LYS B 242 1.355 -19.746 -19.107 1.00 33.44 N ATOM 0 H LYS B 242 -0.261 -15.077 -19.061 1.00 13.50 H new ATOM 0 HA LYS B 242 -2.927 -14.938 -18.024 1.00 63.32 H new ATOM 0 HB2 LYS B 242 -3.122 -17.194 -19.244 1.00 33.45 H new ATOM 0 HB3 LYS B 242 -2.839 -15.758 -20.207 1.00 33.45 H new ATOM 0 HG2 LYS B 242 -1.498 -17.591 -21.056 1.00 11.55 H new ATOM 0 HG3 LYS B 242 -0.447 -16.347 -20.410 1.00 11.55 H new ATOM 0 HD2 LYS B 242 -0.205 -17.655 -18.311 1.00 14.43 H new ATOM 0 HD3 LYS B 242 -1.235 -18.905 -18.980 1.00 14.43 H new ATOM 0 HE2 LYS B 242 0.359 -19.204 -20.871 1.00 21.02 H new ATOM 0 HE3 LYS B 242 1.389 -17.956 -20.199 1.00 21.02 H new ATOM 0 HZ1 LYS B 242 2.167 -20.137 -19.626 1.00 33.44 H new ATOM 0 HZ2 LYS B 242 1.687 -19.302 -18.227 1.00 33.44 H new ATOM 0 HZ3 LYS B 242 0.689 -20.511 -18.878 1.00 33.44 H new ATOM 1749 N ARG B 243 -1.352 -16.073 -15.885 1.00 73.43 N ATOM 1750 CA ARG B 243 -1.414 -16.716 -14.584 1.00 62.21 C ATOM 1751 C ARG B 243 -0.990 -15.732 -13.459 1.00 75.11 C ATOM 1752 O ARG B 243 -0.987 -16.070 -12.274 1.00 51.32 O ATOM 1753 CB ARG B 243 -0.578 -18.010 -14.561 1.00 11.12 C ATOM 1754 CG ARG B 243 -0.747 -18.820 -13.291 1.00 64.01 C ATOM 1755 CD ARG B 243 0.031 -20.111 -13.317 1.00 53.32 C ATOM 1756 NE ARG B 243 -0.145 -20.842 -12.067 1.00 63.43 N ATOM 1757 CZ ARG B 243 -0.072 -22.163 -11.914 1.00 0.53 C ATOM 1758 NH1 ARG B 243 0.166 -22.962 -12.952 1.00 23.35 N ATOM 1759 NH2 ARG B 243 -0.244 -22.682 -10.720 1.00 3.32 N ATOM 0 H ARG B 243 -0.687 -15.302 -15.945 1.00 73.43 H new ATOM 0 HA ARG B 243 -2.449 -17.001 -14.395 1.00 62.21 H new ATOM 0 HB2 ARG B 243 -0.856 -18.627 -15.415 1.00 11.12 H new ATOM 0 HB3 ARG B 243 0.475 -17.755 -14.682 1.00 11.12 H new ATOM 0 HG2 ARG B 243 -0.424 -18.223 -12.438 1.00 64.01 H new ATOM 0 HG3 ARG B 243 -1.804 -19.040 -13.143 1.00 64.01 H new ATOM 0 HD2 ARG B 243 -0.301 -20.725 -14.154 1.00 53.32 H new ATOM 0 HD3 ARG B 243 1.089 -19.901 -13.476 1.00 53.32 H new ATOM 0 HE ARG B 243 -0.342 -20.290 -11.232 1.00 63.43 H new ATOM 0 HH11 ARG B 243 0.296 -22.564 -13.882 1.00 23.35 H new ATOM 0 HH12 ARG B 243 0.219 -23.972 -12.817 1.00 23.35 H new ATOM 0 HH21 ARG B 243 -0.431 -22.075 -9.922 1.00 3.32 H new ATOM 0 HH22 ARG B 243 -0.190 -23.692 -10.591 1.00 3.32 H new ATOM 1773 N GLY B 244 -0.693 -14.507 -13.824 1.00 14.45 N ATOM 1774 CA GLY B 244 -0.243 -13.553 -12.842 1.00 61.22 C ATOM 1775 C GLY B 244 0.283 -12.311 -13.483 1.00 72.32 C ATOM 1776 O GLY B 244 0.166 -12.151 -14.699 1.00 72.43 O ATOM 0 H GLY B 244 -0.754 -14.153 -14.779 1.00 14.45 H new ATOM 0 HA2 GLY B 244 -1.068 -13.298 -12.177 1.00 61.22 H new ATOM 0 HA3 GLY B 244 0.536 -14.003 -12.226 1.00 61.22 H new ATOM 1780 N LEU B 245 0.869 -11.433 -12.707 1.00 60.12 N ATOM 1781 CA LEU B 245 1.375 -10.188 -13.262 1.00 20.35 C ATOM 1782 C LEU B 245 2.714 -9.784 -12.700 1.00 25.00 C ATOM 1783 O LEU B 245 3.030 -10.027 -11.533 1.00 42.52 O ATOM 1784 CB LEU B 245 0.402 -8.988 -13.145 1.00 33.33 C ATOM 1785 CG LEU B 245 -0.914 -9.042 -13.937 1.00 0.03 C ATOM 1786 CD1 LEU B 245 -1.964 -9.928 -13.271 1.00 33.24 C ATOM 1787 CD2 LEU B 245 -1.433 -7.646 -14.195 1.00 14.42 C ATOM 0 H LEU B 245 1.009 -11.548 -11.703 1.00 60.12 H new ATOM 0 HA LEU B 245 1.487 -10.425 -14.320 1.00 20.35 H new ATOM 0 HB2 LEU B 245 0.152 -8.863 -12.091 1.00 33.33 H new ATOM 0 HB3 LEU B 245 0.940 -8.092 -13.453 1.00 33.33 H new ATOM 0 HG LEU B 245 -0.699 -9.508 -14.899 1.00 0.03 H new ATOM 0 HD11 LEU B 245 -2.873 -9.930 -13.873 1.00 33.24 H new ATOM 0 HD12 LEU B 245 -1.582 -10.945 -13.188 1.00 33.24 H new ATOM 0 HD13 LEU B 245 -2.188 -9.542 -12.276 1.00 33.24 H new ATOM 0 HD21 LEU B 245 -2.365 -7.702 -14.757 1.00 14.42 H new ATOM 0 HD22 LEU B 245 -1.612 -7.143 -13.245 1.00 14.42 H new ATOM 0 HD23 LEU B 245 -0.697 -7.084 -14.770 1.00 14.42 H new ATOM 1799 N LYS B 246 3.480 -9.165 -13.539 1.00 12.45 N ATOM 1800 CA LYS B 246 4.756 -8.610 -13.199 1.00 34.01 C ATOM 1801 C LYS B 246 4.724 -7.107 -13.390 1.00 21.21 C ATOM 1802 O LYS B 246 4.262 -6.624 -14.397 1.00 12.21 O ATOM 1803 CB LYS B 246 5.871 -9.235 -14.062 1.00 63.15 C ATOM 1804 CG LYS B 246 7.118 -8.367 -14.160 1.00 32.41 C ATOM 1805 CD LYS B 246 8.157 -8.950 -15.080 1.00 43.31 C ATOM 1806 CE LYS B 246 9.245 -7.938 -15.342 1.00 63.31 C ATOM 1807 NZ LYS B 246 10.356 -8.494 -16.143 1.00 74.23 N ATOM 0 H LYS B 246 3.227 -9.025 -14.517 1.00 12.45 H new ATOM 0 HA LYS B 246 4.970 -8.835 -12.154 1.00 34.01 H new ATOM 0 HB2 LYS B 246 6.144 -10.204 -13.644 1.00 63.15 H new ATOM 0 HB3 LYS B 246 5.485 -9.418 -15.065 1.00 63.15 H new ATOM 0 HG2 LYS B 246 6.839 -7.375 -14.515 1.00 32.41 H new ATOM 0 HG3 LYS B 246 7.548 -8.241 -13.166 1.00 32.41 H new ATOM 0 HD2 LYS B 246 8.585 -9.848 -14.635 1.00 43.31 H new ATOM 0 HD3 LYS B 246 7.694 -9.249 -16.020 1.00 43.31 H new ATOM 0 HE2 LYS B 246 8.820 -7.080 -15.863 1.00 63.31 H new ATOM 0 HE3 LYS B 246 9.634 -7.574 -14.391 1.00 63.31 H new ATOM 0 HZ1 LYS B 246 11.076 -7.759 -16.295 1.00 74.23 H new ATOM 0 HZ2 LYS B 246 10.781 -9.297 -15.637 1.00 74.23 H new ATOM 0 HZ3 LYS B 246 9.993 -8.818 -17.062 1.00 74.23 H new ATOM 1821 N VAL B 247 5.197 -6.387 -12.432 1.00 54.54 N ATOM 1822 CA VAL B 247 5.267 -4.944 -12.548 1.00 41.03 C ATOM 1823 C VAL B 247 6.653 -4.441 -12.141 1.00 12.14 C ATOM 1824 O VAL B 247 7.232 -4.887 -11.148 1.00 44.31 O ATOM 1825 CB VAL B 247 4.135 -4.236 -11.741 1.00 75.04 C ATOM 1826 CG1 VAL B 247 4.215 -4.555 -10.260 1.00 64.43 C ATOM 1827 CG2 VAL B 247 4.155 -2.737 -11.978 1.00 21.53 C ATOM 0 H VAL B 247 5.546 -6.762 -11.550 1.00 54.54 H new ATOM 0 HA VAL B 247 5.107 -4.686 -13.595 1.00 41.03 H new ATOM 0 HB VAL B 247 3.184 -4.625 -12.105 1.00 75.04 H new ATOM 0 HG11 VAL B 247 3.410 -4.043 -9.733 1.00 64.43 H new ATOM 0 HG12 VAL B 247 4.118 -5.631 -10.114 1.00 64.43 H new ATOM 0 HG13 VAL B 247 5.175 -4.221 -9.867 1.00 64.43 H new ATOM 0 HG21 VAL B 247 3.356 -2.267 -11.404 1.00 21.53 H new ATOM 0 HG22 VAL B 247 5.116 -2.331 -11.662 1.00 21.53 H new ATOM 0 HG23 VAL B 247 4.007 -2.534 -13.039 1.00 21.53 H new ATOM 1837 N CYS B 248 7.203 -3.564 -12.922 1.00 31.11 N ATOM 1838 CA CYS B 248 8.506 -3.053 -12.637 1.00 54.22 C ATOM 1839 C CYS B 248 8.536 -1.564 -12.827 1.00 35.22 C ATOM 1840 O CYS B 248 8.417 -1.085 -13.948 1.00 12.01 O ATOM 1841 CB CYS B 248 9.546 -3.680 -13.562 1.00 35.10 C ATOM 1842 SG CYS B 248 11.260 -3.268 -13.084 1.00 12.42 S ATOM 0 H CYS B 248 6.768 -3.187 -13.764 1.00 31.11 H new ATOM 0 HA CYS B 248 8.740 -3.301 -11.602 1.00 54.22 H new ATOM 0 HB2 CYS B 248 9.423 -4.763 -13.558 1.00 35.10 H new ATOM 0 HB3 CYS B 248 9.368 -3.343 -14.583 1.00 35.10 H new ATOM 1847 N CYS B 249 8.660 -0.829 -11.757 1.00 43.41 N ATOM 1848 CA CYS B 249 8.823 0.593 -11.876 1.00 21.15 C ATOM 1849 C CYS B 249 10.301 0.933 -11.840 1.00 42.33 C ATOM 1850 O CYS B 249 11.040 0.440 -10.992 1.00 12.41 O ATOM 1851 CB CYS B 249 8.058 1.362 -10.795 1.00 20.53 C ATOM 1852 SG CYS B 249 6.211 1.342 -10.874 1.00 32.10 S ATOM 0 H CYS B 249 8.652 -1.186 -10.802 1.00 43.41 H new ATOM 0 HA CYS B 249 8.398 0.903 -12.831 1.00 21.15 H new ATOM 0 HB2 CYS B 249 8.357 0.965 -9.825 1.00 20.53 H new ATOM 0 HB3 CYS B 249 8.384 2.401 -10.828 1.00 20.53 H new ATOM 1857 N ASP B 250 10.722 1.765 -12.753 1.00 55.20 N ATOM 1858 CA ASP B 250 12.105 2.143 -12.874 1.00 52.50 C ATOM 1859 C ASP B 250 12.172 3.642 -12.930 1.00 11.21 C ATOM 1860 O ASP B 250 11.438 4.231 -13.664 1.00 11.12 O ATOM 1861 CB ASP B 250 12.653 1.643 -14.204 1.00 24.42 C ATOM 1862 CG ASP B 250 14.164 1.648 -14.243 1.00 22.23 C ATOM 1863 OD1 ASP B 250 14.763 2.684 -14.558 1.00 31.33 O ATOM 1864 OD2 ASP B 250 14.761 0.609 -13.962 1.00 2.20 O ATOM 0 H ASP B 250 10.110 2.204 -13.441 1.00 55.20 H new ATOM 0 HA ASP B 250 12.669 1.731 -12.037 1.00 52.50 H new ATOM 0 HB2 ASP B 250 12.291 0.631 -14.386 1.00 24.42 H new ATOM 0 HB3 ASP B 250 12.269 2.268 -15.010 1.00 24.42 H new ATOM 1869 N PRO B 251 13.048 4.285 -12.198 1.00 54.45 N ATOM 1870 CA PRO B 251 13.207 5.759 -12.235 1.00 74.22 C ATOM 1871 C PRO B 251 13.911 6.238 -13.528 1.00 20.33 C ATOM 1872 O PRO B 251 14.521 7.309 -13.545 1.00 65.41 O ATOM 1873 CB PRO B 251 14.119 6.042 -11.028 1.00 24.14 C ATOM 1874 CG PRO B 251 14.170 4.765 -10.269 1.00 65.21 C ATOM 1875 CD PRO B 251 13.962 3.686 -11.276 1.00 64.15 C ATOM 0 HA PRO B 251 12.245 6.271 -12.208 1.00 74.22 H new ATOM 0 HB2 PRO B 251 15.114 6.349 -11.350 1.00 24.14 H new ATOM 0 HB3 PRO B 251 13.720 6.849 -10.414 1.00 24.14 H new ATOM 0 HG2 PRO B 251 15.129 4.649 -9.763 1.00 65.21 H new ATOM 0 HG3 PRO B 251 13.398 4.736 -9.500 1.00 65.21 H new ATOM 0 HD2 PRO B 251 14.895 3.399 -11.760 1.00 64.15 H new ATOM 0 HD3 PRO B 251 13.548 2.785 -10.824 1.00 64.15 H new