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 17 GLN : amide:sc= -0.462 K(o=-0.0011,f=-3.5!) USER MOD Set 1.2: B 210 THR OG1 : rot 81:sc= 0.461 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 157:sc= 1.21 (180deg=1) USER MOD Set 2.2: A 27 TYR OH : rot 70:sc= -0.0836 USER MOD Single : A 10 THR OG1 : rot 48:sc= 0.338 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 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 46:sc= 0.023 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -12:sc= 1.17 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 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot 37:sc= 0.0192 USER MOD Single : B 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= -0.222 K(o=-0.22,f=-4.9!) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.06) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 30:sc= -0.0857 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 48:sc= 0.00328 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -26:sc= 1.13 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 -9.819 -8.783 -3.963 1.00 31.03 N ATOM 138 CA THR A 10 -8.736 -9.658 -4.310 1.00 63.42 C ATOM 139 C THR A 10 -7.653 -8.896 -5.050 1.00 12.22 C ATOM 140 O THR A 10 -7.659 -8.798 -6.285 1.00 35.24 O ATOM 141 CB THR A 10 -9.226 -10.861 -5.132 1.00 31.34 C ATOM 142 OG1 THR A 10 -9.984 -10.393 -6.265 1.00 11.10 O ATOM 143 CG2 THR A 10 -10.089 -11.783 -4.284 1.00 41.24 C ATOM 0 HA THR A 10 -8.310 -10.048 -3.386 1.00 63.42 H new ATOM 0 HB THR A 10 -8.357 -11.423 -5.475 1.00 31.34 H new ATOM 0 HG1 THR A 10 -9.486 -9.682 -6.721 1.00 11.10 H new ATOM 0 HG21 THR A 10 -10.423 -12.626 -4.888 1.00 41.24 H new ATOM 0 HG22 THR A 10 -9.507 -12.150 -3.439 1.00 41.24 H new ATOM 0 HG23 THR A 10 -10.956 -11.234 -3.916 1.00 41.24 H new ATOM 151 N CYS A 11 -6.776 -8.310 -4.296 1.00 12.12 N ATOM 152 CA CYS A 11 -5.735 -7.517 -4.835 1.00 62.42 C ATOM 153 C CYS A 11 -4.450 -7.957 -4.187 1.00 45.21 C ATOM 154 O CYS A 11 -4.445 -8.332 -3.012 1.00 5.34 O ATOM 155 CB CYS A 11 -5.969 -6.042 -4.476 1.00 73.11 C ATOM 156 SG CYS A 11 -7.685 -5.400 -4.724 1.00 22.21 S ATOM 0 H CYS A 11 -6.770 -8.374 -3.278 1.00 12.12 H new ATOM 0 HA CYS A 11 -5.700 -7.629 -5.919 1.00 62.42 H new ATOM 0 HB2 CYS A 11 -5.698 -5.897 -3.430 1.00 73.11 H new ATOM 0 HB3 CYS A 11 -5.287 -5.433 -5.070 1.00 73.11 H new ATOM 161 N VAL A 12 -3.385 -7.933 -4.916 1.00 25.32 N ATOM 162 CA VAL A 12 -2.109 -8.267 -4.361 1.00 70.35 C ATOM 163 C VAL A 12 -1.236 -7.029 -4.362 1.00 54.22 C ATOM 164 O VAL A 12 -1.265 -6.236 -5.309 1.00 54.14 O ATOM 165 CB VAL A 12 -1.421 -9.483 -5.067 1.00 25.41 C ATOM 166 CG1 VAL A 12 -2.244 -10.749 -4.873 1.00 62.24 C ATOM 167 CG2 VAL A 12 -1.200 -9.234 -6.553 1.00 31.13 C ATOM 0 H VAL A 12 -3.370 -7.684 -5.905 1.00 25.32 H new ATOM 0 HA VAL A 12 -2.261 -8.602 -3.335 1.00 70.35 H new ATOM 0 HB VAL A 12 -0.444 -9.610 -4.602 1.00 25.41 H new ATOM 0 HG11 VAL A 12 -1.750 -11.584 -5.371 1.00 62.24 H new ATOM 0 HG12 VAL A 12 -2.335 -10.964 -3.808 1.00 62.24 H new ATOM 0 HG13 VAL A 12 -3.236 -10.607 -5.301 1.00 62.24 H new ATOM 0 HG21 VAL A 12 -0.720 -10.105 -7.000 1.00 31.13 H new ATOM 0 HG22 VAL A 12 -2.160 -9.059 -7.039 1.00 31.13 H new ATOM 0 HG23 VAL A 12 -0.562 -8.360 -6.685 1.00 31.13 H new ATOM 177 N SER A 13 -0.495 -6.836 -3.323 1.00 1.15 N ATOM 178 CA SER A 13 0.277 -5.644 -3.190 1.00 62.31 C ATOM 179 C SER A 13 1.760 -5.939 -3.013 1.00 22.32 C ATOM 180 O SER A 13 2.156 -6.814 -2.229 1.00 12.43 O ATOM 181 CB SER A 13 -0.303 -4.785 -2.060 1.00 61.23 C ATOM 182 OG SER A 13 -0.466 -5.545 -0.856 1.00 33.23 O ATOM 0 H SER A 13 -0.407 -7.493 -2.548 1.00 1.15 H new ATOM 0 HA SER A 13 0.210 -5.072 -4.116 1.00 62.31 H new ATOM 0 HB2 SER A 13 0.356 -3.937 -1.871 1.00 61.23 H new ATOM 0 HB3 SER A 13 -1.266 -4.378 -2.368 1.00 61.23 H new ATOM 0 HG SER A 13 -0.836 -4.970 -0.154 1.00 33.23 H new ATOM 188 N LEU A 14 2.562 -5.214 -3.755 1.00 72.41 N ATOM 189 CA LEU A 14 3.985 -5.379 -3.782 1.00 75.05 C ATOM 190 C LEU A 14 4.659 -4.062 -3.483 1.00 70.13 C ATOM 191 O LEU A 14 4.414 -3.056 -4.148 1.00 51.04 O ATOM 192 CB LEU A 14 4.378 -5.893 -5.156 1.00 14.42 C ATOM 193 CG LEU A 14 3.908 -7.309 -5.471 1.00 70.51 C ATOM 194 CD1 LEU A 14 4.043 -7.613 -6.956 1.00 24.55 C ATOM 195 CD2 LEU A 14 4.734 -8.291 -4.659 1.00 74.23 C ATOM 0 H LEU A 14 2.228 -4.474 -4.372 1.00 72.41 H new ATOM 0 HA LEU A 14 4.302 -6.095 -3.024 1.00 75.05 H new ATOM 0 HB2 LEU A 14 3.976 -5.216 -5.910 1.00 14.42 H new ATOM 0 HB3 LEU A 14 5.464 -5.858 -5.244 1.00 14.42 H new ATOM 0 HG LEU A 14 2.854 -7.401 -5.208 1.00 70.51 H new ATOM 0 HD11 LEU A 14 3.701 -8.629 -7.152 1.00 24.55 H new ATOM 0 HD12 LEU A 14 3.438 -6.910 -7.528 1.00 24.55 H new ATOM 0 HD13 LEU A 14 5.087 -7.518 -7.253 1.00 24.55 H new ATOM 0 HD21 LEU A 14 4.407 -9.308 -4.876 1.00 74.23 H new ATOM 0 HD22 LEU A 14 5.787 -8.185 -4.921 1.00 74.23 H new ATOM 0 HD23 LEU A 14 4.602 -8.086 -3.597 1.00 74.23 H new ATOM 207 N THR A 15 5.486 -4.055 -2.492 1.00 44.44 N ATOM 208 CA THR A 15 6.142 -2.851 -2.089 1.00 71.41 C ATOM 209 C THR A 15 7.568 -2.833 -2.629 1.00 52.14 C ATOM 210 O THR A 15 8.341 -3.769 -2.393 1.00 13.21 O ATOM 211 CB THR A 15 6.143 -2.737 -0.558 1.00 1.55 C ATOM 212 OG1 THR A 15 4.790 -2.911 -0.079 1.00 31.41 O ATOM 213 CG2 THR A 15 6.623 -1.368 -0.138 1.00 44.54 C ATOM 0 H THR A 15 5.727 -4.878 -1.939 1.00 44.44 H new ATOM 0 HA THR A 15 5.603 -1.996 -2.497 1.00 71.41 H new ATOM 0 HB THR A 15 6.804 -3.498 -0.143 1.00 1.55 H new ATOM 0 HG1 THR A 15 4.778 -2.842 0.898 1.00 31.41 H new ATOM 0 HG21 THR A 15 6.619 -1.299 0.950 1.00 44.54 H new ATOM 0 HG22 THR A 15 7.636 -1.208 -0.508 1.00 44.54 H new ATOM 0 HG23 THR A 15 5.961 -0.607 -0.552 1.00 44.54 H new ATOM 221 N THR A 16 7.903 -1.805 -3.366 1.00 41.23 N ATOM 222 CA THR A 16 9.203 -1.699 -3.940 1.00 73.14 C ATOM 223 C THR A 16 9.598 -0.223 -4.032 1.00 74.12 C ATOM 224 O THR A 16 8.778 0.620 -4.418 1.00 64.14 O ATOM 225 CB THR A 16 9.241 -2.391 -5.352 1.00 73.35 C ATOM 226 OG1 THR A 16 10.566 -2.374 -5.899 1.00 45.33 O ATOM 227 CG2 THR A 16 8.278 -1.728 -6.340 1.00 75.15 C ATOM 0 H THR A 16 7.280 -1.026 -3.579 1.00 41.23 H new ATOM 0 HA THR A 16 9.924 -2.214 -3.305 1.00 73.14 H new ATOM 0 HB THR A 16 8.925 -3.423 -5.201 1.00 73.35 H new ATOM 0 HG1 THR A 16 10.564 -2.811 -6.776 1.00 45.33 H new ATOM 0 HG21 THR A 16 8.336 -2.237 -7.302 1.00 75.15 H new ATOM 0 HG22 THR A 16 7.260 -1.794 -5.956 1.00 75.15 H new ATOM 0 HG23 THR A 16 8.551 -0.680 -6.467 1.00 75.15 H new ATOM 235 N GLN A 17 10.843 0.074 -3.662 1.00 21.01 N ATOM 236 CA GLN A 17 11.405 1.423 -3.728 1.00 10.25 C ATOM 237 C GLN A 17 10.670 2.421 -2.805 1.00 53.11 C ATOM 238 O GLN A 17 9.872 2.033 -1.932 1.00 53.31 O ATOM 239 CB GLN A 17 11.440 1.909 -5.178 1.00 41.13 C ATOM 240 CG GLN A 17 12.307 1.036 -6.065 1.00 73.54 C ATOM 241 CD GLN A 17 12.295 1.467 -7.502 1.00 51.40 C ATOM 242 OE1 GLN A 17 13.100 2.287 -7.918 1.00 25.45 O ATOM 243 NE2 GLN A 17 11.389 0.918 -8.270 1.00 34.54 N ATOM 0 H GLN A 17 11.497 -0.622 -3.304 1.00 21.01 H new ATOM 0 HA GLN A 17 12.428 1.372 -3.355 1.00 10.25 H new ATOM 0 HB2 GLN A 17 10.425 1.929 -5.575 1.00 41.13 H new ATOM 0 HB3 GLN A 17 11.814 2.933 -5.205 1.00 41.13 H new ATOM 0 HG2 GLN A 17 13.332 1.055 -5.694 1.00 73.54 H new ATOM 0 HG3 GLN A 17 11.963 0.004 -5.998 1.00 73.54 H new ATOM 0 HE21 GLN A 17 10.736 0.237 -7.882 1.00 34.54 H new ATOM 0 HE22 GLN A 17 11.336 1.171 -9.257 1.00 34.54 H new ATOM 252 N ARG A 18 10.981 3.691 -2.961 1.00 24.33 N ATOM 253 CA ARG A 18 10.388 4.728 -2.129 1.00 0.14 C ATOM 254 C ARG A 18 10.170 6.008 -2.920 1.00 71.03 C ATOM 255 O ARG A 18 10.064 7.091 -2.332 1.00 44.31 O ATOM 256 CB ARG A 18 11.301 5.020 -0.935 1.00 23.30 C ATOM 257 CG ARG A 18 12.695 5.463 -1.336 1.00 41.45 C ATOM 258 CD ARG A 18 13.544 5.797 -0.139 1.00 64.21 C ATOM 259 NE ARG A 18 14.912 6.135 -0.527 1.00 32.11 N ATOM 260 CZ ARG A 18 15.863 6.556 0.308 1.00 13.43 C ATOM 261 NH1 ARG A 18 15.567 6.846 1.572 1.00 54.11 N ATOM 262 NH2 ARG A 18 17.096 6.719 -0.127 1.00 10.54 N ATOM 0 H ARG A 18 11.642 4.035 -3.657 1.00 24.33 H new ATOM 0 HA ARG A 18 9.421 4.368 -1.778 1.00 0.14 H new ATOM 0 HB2 ARG A 18 10.845 5.795 -0.319 1.00 23.30 H new ATOM 0 HB3 ARG A 18 11.376 4.125 -0.317 1.00 23.30 H new ATOM 0 HG2 ARG A 18 13.175 4.672 -1.912 1.00 41.45 H new ATOM 0 HG3 ARG A 18 12.626 6.335 -1.987 1.00 41.45 H new ATOM 0 HD2 ARG A 18 13.101 6.634 0.400 1.00 64.21 H new ATOM 0 HD3 ARG A 18 13.558 4.949 0.546 1.00 64.21 H new ATOM 0 HE ARG A 18 15.158 6.042 -1.512 1.00 32.11 H new ATOM 0 HH11 ARG A 18 14.609 6.747 1.907 1.00 54.11 H new ATOM 0 HH12 ARG A 18 16.298 7.168 2.206 1.00 54.11 H new ATOM 0 HH21 ARG A 18 17.323 6.523 -1.102 1.00 10.54 H new ATOM 0 HH22 ARG A 18 17.824 7.041 0.511 1.00 10.54 H new ATOM 276 N LEU A 19 10.060 5.897 -4.229 1.00 13.14 N ATOM 277 CA LEU A 19 9.866 7.084 -5.048 1.00 54.01 C ATOM 278 C LEU A 19 8.430 7.555 -4.990 1.00 65.31 C ATOM 279 O LEU A 19 7.511 6.800 -5.303 1.00 62.14 O ATOM 280 CB LEU A 19 10.311 6.916 -6.514 1.00 50.40 C ATOM 281 CG LEU A 19 11.817 6.778 -6.792 1.00 34.01 C ATOM 282 CD1 LEU A 19 12.383 5.458 -6.293 1.00 42.02 C ATOM 283 CD2 LEU A 19 12.097 6.979 -8.266 1.00 2.32 C ATOM 0 H LEU A 19 10.100 5.017 -4.743 1.00 13.14 H new ATOM 0 HA LEU A 19 10.518 7.842 -4.615 1.00 54.01 H new ATOM 0 HB2 LEU A 19 9.813 6.034 -6.917 1.00 50.40 H new ATOM 0 HB3 LEU A 19 9.943 7.774 -7.077 1.00 50.40 H new ATOM 0 HG LEU A 19 12.328 7.559 -6.230 1.00 34.01 H new ATOM 0 HD11 LEU A 19 13.449 5.412 -6.515 1.00 42.02 H new ATOM 0 HD12 LEU A 19 12.233 5.381 -5.216 1.00 42.02 H new ATOM 0 HD13 LEU A 19 11.873 4.633 -6.790 1.00 42.02 H new ATOM 0 HD21 LEU A 19 13.167 6.879 -8.450 1.00 2.32 H new ATOM 0 HD22 LEU A 19 11.557 6.229 -8.844 1.00 2.32 H new ATOM 0 HD23 LEU A 19 11.769 7.974 -8.566 1.00 2.32 H new ATOM 295 N PRO A 20 8.216 8.805 -4.573 1.00 72.21 N ATOM 296 CA PRO A 20 6.888 9.365 -4.464 1.00 55.51 C ATOM 297 C PRO A 20 6.249 9.601 -5.824 1.00 2.54 C ATOM 298 O PRO A 20 6.908 10.022 -6.789 1.00 32.34 O ATOM 299 CB PRO A 20 7.107 10.696 -3.743 1.00 50.41 C ATOM 300 CG PRO A 20 8.518 11.057 -4.023 1.00 53.25 C ATOM 301 CD PRO A 20 9.262 9.766 -4.175 1.00 3.12 C ATOM 0 HA PRO A 20 6.211 8.692 -3.938 1.00 55.51 H new ATOM 0 HB2 PRO A 20 6.423 11.461 -4.111 1.00 50.41 H new ATOM 0 HB3 PRO A 20 6.930 10.598 -2.672 1.00 50.41 H new ATOM 0 HG2 PRO A 20 8.593 11.658 -4.930 1.00 53.25 H new ATOM 0 HG3 PRO A 20 8.935 11.652 -3.211 1.00 53.25 H new ATOM 0 HD2 PRO A 20 10.045 9.841 -4.930 1.00 3.12 H new ATOM 0 HD3 PRO A 20 9.745 9.470 -3.244 1.00 3.12 H new ATOM 309 N VAL A 21 4.985 9.339 -5.897 1.00 2.10 N ATOM 310 CA VAL A 21 4.245 9.530 -7.100 1.00 50.23 C ATOM 311 C VAL A 21 3.367 10.749 -6.950 1.00 30.03 C ATOM 312 O VAL A 21 2.929 11.069 -5.831 1.00 31.03 O ATOM 313 CB VAL A 21 3.389 8.279 -7.454 1.00 34.41 C ATOM 314 CG1 VAL A 21 4.291 7.084 -7.718 1.00 32.42 C ATOM 315 CG2 VAL A 21 2.404 7.947 -6.333 1.00 22.40 C ATOM 0 H VAL A 21 4.433 8.983 -5.117 1.00 2.10 H new ATOM 0 HA VAL A 21 4.947 9.679 -7.921 1.00 50.23 H new ATOM 0 HB VAL A 21 2.818 8.507 -8.354 1.00 34.41 H new ATOM 0 HG11 VAL A 21 3.681 6.215 -7.965 1.00 32.42 H new ATOM 0 HG12 VAL A 21 4.957 7.308 -8.551 1.00 32.42 H new ATOM 0 HG13 VAL A 21 4.883 6.871 -6.828 1.00 32.42 H new ATOM 0 HG21 VAL A 21 1.821 7.069 -6.610 1.00 22.40 H new ATOM 0 HG22 VAL A 21 2.954 7.743 -5.414 1.00 22.40 H new ATOM 0 HG23 VAL A 21 1.734 8.792 -6.175 1.00 22.40 H new ATOM 325 N SER A 22 3.136 11.444 -8.043 1.00 72.24 N ATOM 326 CA SER A 22 2.304 12.628 -8.042 1.00 23.35 C ATOM 327 C SER A 22 0.918 12.302 -7.490 1.00 54.15 C ATOM 328 O SER A 22 0.416 12.983 -6.600 1.00 31.11 O ATOM 329 CB SER A 22 2.202 13.167 -9.463 1.00 41.44 C ATOM 330 OG SER A 22 3.502 13.370 -10.003 1.00 62.01 O ATOM 0 H SER A 22 3.520 11.204 -8.957 1.00 72.24 H new ATOM 0 HA SER A 22 2.752 13.387 -7.401 1.00 23.35 H new ATOM 0 HB2 SER A 22 1.646 12.467 -10.087 1.00 41.44 H new ATOM 0 HB3 SER A 22 1.648 14.106 -9.465 1.00 41.44 H new ATOM 0 HG SER A 22 3.426 13.715 -10.917 1.00 62.01 H new ATOM 336 N ARG A 23 0.327 11.239 -7.997 1.00 62.03 N ATOM 337 CA ARG A 23 -0.977 10.807 -7.560 1.00 73.13 C ATOM 338 C ARG A 23 -1.002 9.308 -7.518 1.00 73.24 C ATOM 339 O ARG A 23 -0.362 8.662 -8.360 1.00 3.34 O ATOM 340 CB ARG A 23 -2.068 11.274 -8.538 1.00 2.13 C ATOM 341 CG ARG A 23 -2.157 12.768 -8.729 1.00 35.31 C ATOM 342 CD ARG A 23 -3.265 13.137 -9.684 1.00 31.12 C ATOM 343 NE ARG A 23 -3.308 14.575 -9.898 1.00 22.41 N ATOM 344 CZ ARG A 23 -4.208 15.224 -10.624 1.00 72.11 C ATOM 345 NH1 ARG A 23 -5.213 14.571 -11.208 1.00 11.51 N ATOM 346 NH2 ARG A 23 -4.104 16.529 -10.755 1.00 54.23 N ATOM 0 H ARG A 23 0.740 10.653 -8.723 1.00 62.03 H new ATOM 0 HA ARG A 23 -1.170 11.235 -6.576 1.00 73.13 H new ATOM 0 HB2 ARG A 23 -1.889 10.809 -9.507 1.00 2.13 H new ATOM 0 HB3 ARG A 23 -3.032 10.910 -8.183 1.00 2.13 H new ATOM 0 HG2 ARG A 23 -2.329 13.250 -7.766 1.00 35.31 H new ATOM 0 HG3 ARG A 23 -1.207 13.145 -9.109 1.00 35.31 H new ATOM 0 HD2 ARG A 23 -3.115 12.628 -10.636 1.00 31.12 H new ATOM 0 HD3 ARG A 23 -4.221 12.795 -9.287 1.00 31.12 H new ATOM 0 HE ARG A 23 -2.582 15.134 -9.450 1.00 22.41 H new ATOM 0 HH11 ARG A 23 -5.296 13.560 -11.099 1.00 11.51 H new ATOM 0 HH12 ARG A 23 -5.899 15.082 -11.764 1.00 11.51 H new ATOM 0 HH21 ARG A 23 -3.339 17.028 -10.301 1.00 54.23 H new ATOM 0 HH22 ARG A 23 -4.789 17.042 -11.310 1.00 54.23 H new ATOM 360 N ILE A 24 -1.691 8.755 -6.541 1.00 13.11 N ATOM 361 CA ILE A 24 -1.936 7.322 -6.503 1.00 51.23 C ATOM 362 C ILE A 24 -2.949 7.074 -7.602 1.00 3.31 C ATOM 363 O ILE A 24 -4.143 7.364 -7.446 1.00 1.31 O ATOM 364 CB ILE A 24 -2.547 6.868 -5.132 1.00 52.52 C ATOM 365 CG1 ILE A 24 -1.684 7.337 -3.926 1.00 71.31 C ATOM 366 CG2 ILE A 24 -2.737 5.353 -5.096 1.00 4.43 C ATOM 367 CD1 ILE A 24 -0.288 6.795 -3.881 1.00 10.42 C ATOM 0 H ILE A 24 -2.093 9.274 -5.760 1.00 13.11 H new ATOM 0 HA ILE A 24 -1.007 6.766 -6.631 1.00 51.23 H new ATOM 0 HB ILE A 24 -3.523 7.345 -5.042 1.00 52.52 H new ATOM 0 HG12 ILE A 24 -1.632 8.426 -3.941 1.00 71.31 H new ATOM 0 HG13 ILE A 24 -2.194 7.055 -3.005 1.00 71.31 H new ATOM 0 HG21 ILE A 24 -3.162 5.062 -4.135 1.00 4.43 H new ATOM 0 HG22 ILE A 24 -3.412 5.052 -5.897 1.00 4.43 H new ATOM 0 HG23 ILE A 24 -1.773 4.862 -5.230 1.00 4.43 H new ATOM 0 HD11 ILE A 24 0.225 7.184 -3.002 1.00 10.42 H new ATOM 0 HD12 ILE A 24 -0.322 5.707 -3.829 1.00 10.42 H new ATOM 0 HD13 ILE A 24 0.249 7.099 -4.779 1.00 10.42 H new ATOM 379 N LYS A 25 -2.476 6.611 -8.709 1.00 0.31 N ATOM 380 CA LYS A 25 -3.301 6.478 -9.868 1.00 43.21 C ATOM 381 C LYS A 25 -3.646 5.033 -10.087 1.00 62.13 C ATOM 382 O LYS A 25 -2.952 4.137 -9.589 1.00 34.55 O ATOM 383 CB LYS A 25 -2.568 7.044 -11.090 1.00 43.41 C ATOM 384 CG LYS A 25 -1.278 6.310 -11.408 1.00 20.31 C ATOM 385 CD LYS A 25 -0.562 6.875 -12.621 1.00 12.52 C ATOM 386 CE LYS A 25 -0.030 8.260 -12.394 1.00 61.21 C ATOM 387 NZ LYS A 25 0.717 8.738 -13.577 1.00 65.00 N ATOM 0 H LYS A 25 -1.509 6.314 -8.839 1.00 0.31 H new ATOM 0 HA LYS A 25 -4.225 7.037 -9.721 1.00 43.21 H new ATOM 0 HB2 LYS A 25 -3.228 6.996 -11.956 1.00 43.41 H new ATOM 0 HB3 LYS A 25 -2.346 8.097 -10.917 1.00 43.41 H new ATOM 0 HG2 LYS A 25 -0.615 6.360 -10.545 1.00 20.31 H new ATOM 0 HG3 LYS A 25 -1.498 5.256 -11.580 1.00 20.31 H new ATOM 0 HD2 LYS A 25 0.262 6.214 -12.890 1.00 12.52 H new ATOM 0 HD3 LYS A 25 -1.248 6.889 -13.468 1.00 12.52 H new ATOM 0 HE2 LYS A 25 -0.854 8.940 -12.180 1.00 61.21 H new ATOM 0 HE3 LYS A 25 0.622 8.265 -11.521 1.00 61.21 H new ATOM 0 HZ1 LYS A 25 0.738 9.778 -13.577 1.00 65.00 H new ATOM 0 HZ2 LYS A 25 1.690 8.372 -13.544 1.00 65.00 H new ATOM 0 HZ3 LYS A 25 0.249 8.401 -14.442 1.00 65.00 H new ATOM 401 N THR A 26 -4.707 4.804 -10.818 1.00 33.33 N ATOM 402 CA THR A 26 -5.168 3.480 -11.089 1.00 64.20 C ATOM 403 C THR A 26 -5.352 3.225 -12.565 1.00 43.21 C ATOM 404 O THR A 26 -5.990 4.008 -13.276 1.00 4.03 O ATOM 405 CB THR A 26 -6.474 3.187 -10.339 1.00 14.12 C ATOM 406 OG1 THR A 26 -7.338 4.335 -10.399 1.00 32.23 O ATOM 407 CG2 THR A 26 -6.211 2.810 -8.910 1.00 42.52 C ATOM 0 H THR A 26 -5.273 5.539 -11.241 1.00 33.33 H new ATOM 0 HA THR A 26 -4.392 2.803 -10.732 1.00 64.20 H new ATOM 0 HB THR A 26 -6.962 2.341 -10.822 1.00 14.12 H new ATOM 0 HG1 THR A 26 -8.171 4.143 -9.920 1.00 32.23 H new ATOM 0 HG21 THR A 26 -7.157 2.609 -8.407 1.00 42.52 H new ATOM 0 HG22 THR A 26 -5.586 1.917 -8.878 1.00 42.52 H new ATOM 0 HG23 THR A 26 -5.699 3.630 -8.406 1.00 42.52 H new ATOM 415 N TYR A 27 -4.786 2.145 -13.020 1.00 52.24 N ATOM 416 CA TYR A 27 -4.949 1.711 -14.379 1.00 73.10 C ATOM 417 C TYR A 27 -5.828 0.507 -14.418 1.00 34.14 C ATOM 418 O TYR A 27 -5.545 -0.462 -13.771 1.00 41.04 O ATOM 419 CB TYR A 27 -3.584 1.389 -14.977 1.00 12.10 C ATOM 420 CG TYR A 27 -2.772 2.611 -15.192 1.00 71.30 C ATOM 421 CD1 TYR A 27 -2.964 3.372 -16.321 1.00 40.01 C ATOM 422 CD2 TYR A 27 -1.848 3.038 -14.252 1.00 1.12 C ATOM 423 CE1 TYR A 27 -2.261 4.519 -16.530 1.00 73.41 C ATOM 424 CE2 TYR A 27 -1.141 4.204 -14.446 1.00 34.51 C ATOM 425 CZ TYR A 27 -1.358 4.940 -15.600 1.00 11.43 C ATOM 426 OH TYR A 27 -0.679 6.119 -15.814 1.00 35.30 O ATOM 0 H TYR A 27 -4.194 1.536 -12.455 1.00 52.24 H new ATOM 0 HA TYR A 27 -5.414 2.505 -14.964 1.00 73.10 H new ATOM 0 HB2 TYR A 27 -3.049 0.709 -14.314 1.00 12.10 H new ATOM 0 HB3 TYR A 27 -3.717 0.870 -15.926 1.00 12.10 H new ATOM 0 HD1 TYR A 27 -3.687 3.053 -17.057 1.00 40.01 H new ATOM 0 HD2 TYR A 27 -1.681 2.452 -13.360 1.00 1.12 H new ATOM 0 HE1 TYR A 27 -2.418 5.094 -17.431 1.00 73.41 H new ATOM 0 HE2 TYR A 27 -0.427 4.540 -13.709 1.00 34.51 H new ATOM 0 HH TYR A 27 -1.298 6.874 -15.728 1.00 35.30 H new ATOM 436 N THR A 28 -6.901 0.589 -15.149 1.00 64.51 N ATOM 437 CA THR A 28 -7.810 -0.515 -15.279 1.00 60.41 C ATOM 438 C THR A 28 -7.700 -1.080 -16.683 1.00 42.13 C ATOM 439 O THR A 28 -7.913 -0.370 -17.665 1.00 54.35 O ATOM 440 CB THR A 28 -9.250 -0.054 -14.998 1.00 42.54 C ATOM 441 OG1 THR A 28 -9.287 0.571 -13.701 1.00 71.33 O ATOM 442 CG2 THR A 28 -10.222 -1.235 -15.017 1.00 24.31 C ATOM 0 H THR A 28 -7.172 1.422 -15.672 1.00 64.51 H new ATOM 0 HA THR A 28 -7.554 -1.288 -14.555 1.00 60.41 H new ATOM 0 HB THR A 28 -9.553 0.648 -15.775 1.00 42.54 H new ATOM 0 HG1 THR A 28 -10.200 0.872 -13.509 1.00 71.33 H new ATOM 0 HG21 THR A 28 -11.232 -0.878 -14.815 1.00 24.31 H new ATOM 0 HG22 THR A 28 -10.195 -1.713 -15.996 1.00 24.31 H new ATOM 0 HG23 THR A 28 -9.933 -1.957 -14.253 1.00 24.31 H new ATOM 450 N ILE A 29 -7.351 -2.330 -16.765 1.00 63.52 N ATOM 451 CA ILE A 29 -7.138 -2.985 -18.020 1.00 63.03 C ATOM 452 C ILE A 29 -8.215 -4.062 -18.176 1.00 34.21 C ATOM 453 O ILE A 29 -8.739 -4.549 -17.176 1.00 70.40 O ATOM 454 CB ILE A 29 -5.727 -3.646 -18.052 1.00 1.12 C ATOM 455 CG1 ILE A 29 -4.699 -2.736 -17.368 1.00 41.43 C ATOM 456 CG2 ILE A 29 -5.318 -3.789 -19.497 1.00 73.15 C ATOM 457 CD1 ILE A 29 -3.322 -3.300 -17.216 1.00 42.14 C ATOM 0 H ILE A 29 -7.205 -2.929 -15.953 1.00 63.52 H new ATOM 0 HA ILE A 29 -7.195 -2.262 -18.834 1.00 63.03 H new ATOM 0 HB ILE A 29 -5.764 -4.607 -17.540 1.00 1.12 H new ATOM 0 HG12 ILE A 29 -4.629 -1.808 -17.936 1.00 41.43 H new ATOM 0 HG13 ILE A 29 -5.075 -2.476 -16.378 1.00 41.43 H new ATOM 0 HG21 ILE A 29 -4.332 -4.250 -19.552 1.00 73.15 H new ATOM 0 HG22 ILE A 29 -6.041 -4.415 -20.019 1.00 73.15 H new ATOM 0 HG23 ILE A 29 -5.285 -2.805 -19.965 1.00 73.15 H new ATOM 0 HD11 ILE A 29 -2.682 -2.570 -16.720 1.00 42.14 H new ATOM 0 HD12 ILE A 29 -3.366 -4.210 -16.618 1.00 42.14 H new ATOM 0 HD13 ILE A 29 -2.913 -3.532 -18.199 1.00 42.14 H new ATOM 469 N THR A 30 -8.549 -4.406 -19.401 1.00 4.45 N ATOM 470 CA THR A 30 -9.588 -5.382 -19.680 1.00 35.21 C ATOM 471 C THR A 30 -9.161 -6.411 -20.739 1.00 32.04 C ATOM 472 O THR A 30 -9.169 -6.135 -21.956 1.00 72.25 O ATOM 473 CB THR A 30 -10.935 -4.713 -20.066 1.00 13.23 C ATOM 474 OG1 THR A 30 -10.720 -3.689 -21.061 1.00 13.50 O ATOM 475 CG2 THR A 30 -11.635 -4.120 -18.850 1.00 42.34 C ATOM 0 H THR A 30 -8.109 -4.018 -20.235 1.00 4.45 H new ATOM 0 HA THR A 30 -9.745 -5.924 -18.747 1.00 35.21 H new ATOM 0 HB THR A 30 -11.581 -5.487 -20.481 1.00 13.23 H new ATOM 0 HG1 THR A 30 -10.121 -4.030 -21.757 1.00 13.50 H new ATOM 0 HG21 THR A 30 -12.574 -3.661 -19.159 1.00 42.34 H new ATOM 0 HG22 THR A 30 -11.838 -4.909 -18.126 1.00 42.34 H new ATOM 0 HG23 THR A 30 -10.995 -3.365 -18.394 1.00 42.34 H new ATOM 483 N GLU A 31 -8.762 -7.570 -20.272 1.00 5.31 N ATOM 484 CA GLU A 31 -8.311 -8.660 -21.128 1.00 4.51 C ATOM 485 C GLU A 31 -9.418 -9.688 -21.275 1.00 33.21 C ATOM 486 O GLU A 31 -9.630 -10.516 -20.391 1.00 32.32 O ATOM 487 CB GLU A 31 -7.029 -9.324 -20.540 1.00 32.12 C ATOM 488 CG GLU A 31 -5.735 -8.484 -20.618 1.00 64.15 C ATOM 489 CD GLU A 31 -5.914 -7.073 -20.225 1.00 63.21 C ATOM 490 OE1 GLU A 31 -6.058 -6.792 -19.041 1.00 3.43 O ATOM 491 OE2 GLU A 31 -5.909 -6.216 -21.150 1.00 35.51 O ATOM 0 H GLU A 31 -8.738 -7.793 -19.277 1.00 5.31 H new ATOM 0 HA GLU A 31 -8.066 -8.257 -22.111 1.00 4.51 H new ATOM 0 HB2 GLU A 31 -7.217 -9.569 -19.495 1.00 32.12 H new ATOM 0 HB3 GLU A 31 -6.859 -10.266 -21.062 1.00 32.12 H new ATOM 0 HG2 GLU A 31 -4.980 -8.937 -19.975 1.00 64.15 H new ATOM 0 HG3 GLU A 31 -5.350 -8.521 -21.637 1.00 64.15 H new ATOM 498 N GLY A 32 -10.130 -9.630 -22.371 1.00 71.35 N ATOM 499 CA GLY A 32 -11.229 -10.534 -22.577 1.00 50.24 C ATOM 500 C GLY A 32 -12.444 -10.131 -21.749 1.00 13.22 C ATOM 501 O GLY A 32 -13.241 -9.299 -22.174 1.00 14.05 O ATOM 0 H GLY A 32 -9.969 -8.969 -23.131 1.00 71.35 H new ATOM 0 HA2 GLY A 32 -11.496 -10.550 -23.634 1.00 50.24 H new ATOM 0 HA3 GLY A 32 -10.924 -11.546 -22.310 1.00 50.24 H new ATOM 505 N SER A 33 -12.556 -10.703 -20.575 1.00 22.23 N ATOM 506 CA SER A 33 -13.648 -10.428 -19.649 1.00 43.33 C ATOM 507 C SER A 33 -13.041 -10.248 -18.253 1.00 73.31 C ATOM 508 O SER A 33 -13.688 -10.447 -17.221 1.00 63.12 O ATOM 509 CB SER A 33 -14.613 -11.616 -19.667 1.00 63.14 C ATOM 510 OG SER A 33 -15.043 -11.903 -20.999 1.00 22.04 O ATOM 0 H SER A 33 -11.884 -11.385 -20.222 1.00 22.23 H new ATOM 0 HA SER A 33 -14.195 -9.528 -19.929 1.00 43.33 H new ATOM 0 HB2 SER A 33 -14.125 -12.493 -19.241 1.00 63.14 H new ATOM 0 HB3 SER A 33 -15.478 -11.397 -19.041 1.00 63.14 H new ATOM 0 HG SER A 33 -15.658 -12.666 -20.987 1.00 22.04 H new ATOM 516 N LEU A 34 -11.799 -9.847 -18.259 1.00 72.24 N ATOM 517 CA LEU A 34 -10.987 -9.679 -17.082 1.00 40.12 C ATOM 518 C LEU A 34 -10.673 -8.191 -16.867 1.00 61.13 C ATOM 519 O LEU A 34 -10.493 -7.466 -17.828 1.00 21.45 O ATOM 520 CB LEU A 34 -9.704 -10.562 -17.298 1.00 20.51 C ATOM 521 CG LEU A 34 -8.514 -10.461 -16.332 1.00 60.54 C ATOM 522 CD1 LEU A 34 -7.715 -9.187 -16.562 1.00 11.22 C ATOM 523 CD2 LEU A 34 -8.981 -10.546 -14.897 1.00 34.32 C ATOM 0 H LEU A 34 -11.303 -9.618 -19.120 1.00 72.24 H new ATOM 0 HA LEU A 34 -11.496 -10.003 -16.174 1.00 40.12 H new ATOM 0 HB2 LEU A 34 -10.027 -11.603 -17.302 1.00 20.51 H new ATOM 0 HB3 LEU A 34 -9.327 -10.342 -18.297 1.00 20.51 H new ATOM 0 HG LEU A 34 -7.855 -11.306 -16.532 1.00 60.54 H new ATOM 0 HD11 LEU A 34 -6.881 -9.149 -15.861 1.00 11.22 H new ATOM 0 HD12 LEU A 34 -7.332 -9.177 -17.582 1.00 11.22 H new ATOM 0 HD13 LEU A 34 -8.359 -8.321 -16.407 1.00 11.22 H new ATOM 0 HD21 LEU A 34 -8.122 -10.472 -14.230 1.00 34.32 H new ATOM 0 HD22 LEU A 34 -9.672 -9.729 -14.690 1.00 34.32 H new ATOM 0 HD23 LEU A 34 -9.486 -11.498 -14.735 1.00 34.32 H new ATOM 535 N ARG A 35 -10.638 -7.750 -15.606 1.00 53.31 N ATOM 536 CA ARG A 35 -10.290 -6.375 -15.268 1.00 74.55 C ATOM 537 C ARG A 35 -9.075 -6.330 -14.348 1.00 14.12 C ATOM 538 O ARG A 35 -9.152 -6.751 -13.244 1.00 70.13 O ATOM 539 CB ARG A 35 -11.441 -5.682 -14.533 1.00 40.10 C ATOM 540 CG ARG A 35 -12.668 -5.372 -15.345 1.00 4.01 C ATOM 541 CD ARG A 35 -13.691 -4.681 -14.463 1.00 11.52 C ATOM 542 NE ARG A 35 -14.817 -4.148 -15.215 1.00 33.31 N ATOM 543 CZ ARG A 35 -15.715 -3.287 -14.723 1.00 23.25 C ATOM 544 NH1 ARG A 35 -15.688 -2.952 -13.427 1.00 61.21 N ATOM 545 NH2 ARG A 35 -16.648 -2.779 -15.516 1.00 51.04 N ATOM 0 H ARG A 35 -10.849 -8.336 -14.798 1.00 53.31 H new ATOM 0 HA ARG A 35 -10.077 -5.866 -16.208 1.00 74.55 H new ATOM 0 HB2 ARG A 35 -11.738 -6.311 -13.694 1.00 40.10 H new ATOM 0 HB3 ARG A 35 -11.065 -4.749 -14.114 1.00 40.10 H new ATOM 0 HG2 ARG A 35 -12.408 -4.733 -16.189 1.00 4.01 H new ATOM 0 HG3 ARG A 35 -13.087 -6.290 -15.757 1.00 4.01 H new ATOM 0 HD2 ARG A 35 -14.059 -5.388 -13.719 1.00 11.52 H new ATOM 0 HD3 ARG A 35 -13.206 -3.870 -13.920 1.00 11.52 H new ATOM 0 HE ARG A 35 -14.929 -4.451 -16.182 1.00 33.31 H new ATOM 0 HH11 ARG A 35 -14.981 -3.354 -12.811 1.00 61.21 H new ATOM 0 HH12 ARG A 35 -16.374 -2.295 -13.056 1.00 61.21 H new ATOM 0 HH21 ARG A 35 -16.681 -3.045 -16.500 1.00 51.04 H new ATOM 0 HH22 ARG A 35 -17.333 -2.122 -15.142 1.00 51.04 H new ATOM 559 N CYS A 36 -7.994 -5.793 -14.787 1.00 44.22 N ATOM 560 CA CYS A 36 -6.819 -5.649 -13.924 1.00 52.05 C ATOM 561 C CYS A 36 -6.609 -4.170 -13.591 1.00 24.04 C ATOM 562 O CYS A 36 -6.627 -3.340 -14.462 1.00 73.42 O ATOM 563 CB CYS A 36 -5.561 -6.233 -14.591 1.00 44.41 C ATOM 564 SG CYS A 36 -5.274 -8.064 -14.497 1.00 32.22 S ATOM 0 H CYS A 36 -7.873 -5.438 -15.735 1.00 44.22 H new ATOM 0 HA CYS A 36 -6.993 -6.207 -13.004 1.00 52.05 H new ATOM 0 HB2 CYS A 36 -5.586 -5.956 -15.645 1.00 44.41 H new ATOM 0 HB3 CYS A 36 -4.694 -5.739 -14.152 1.00 44.41 H new ATOM 569 N VAL A 37 -6.421 -3.849 -12.319 1.00 72.44 N ATOM 570 CA VAL A 37 -6.308 -2.472 -11.875 1.00 32.21 C ATOM 571 C VAL A 37 -5.014 -2.296 -11.120 1.00 15.44 C ATOM 572 O VAL A 37 -4.694 -3.088 -10.239 1.00 34.23 O ATOM 573 CB VAL A 37 -7.488 -2.058 -10.950 1.00 11.40 C ATOM 574 CG1 VAL A 37 -7.461 -0.563 -10.659 1.00 44.33 C ATOM 575 CG2 VAL A 37 -8.818 -2.485 -11.534 1.00 23.41 C ATOM 0 H VAL A 37 -6.343 -4.536 -11.569 1.00 72.44 H new ATOM 0 HA VAL A 37 -6.332 -1.837 -12.761 1.00 32.21 H new ATOM 0 HB VAL A 37 -7.365 -2.579 -10.001 1.00 11.40 H new ATOM 0 HG11 VAL A 37 -8.298 -0.303 -10.010 1.00 44.33 H new ATOM 0 HG12 VAL A 37 -6.525 -0.306 -10.164 1.00 44.33 H new ATOM 0 HG13 VAL A 37 -7.541 -0.009 -11.594 1.00 44.33 H new ATOM 0 HG21 VAL A 37 -9.623 -2.182 -10.865 1.00 23.41 H new ATOM 0 HG22 VAL A 37 -8.957 -2.013 -12.506 1.00 23.41 H new ATOM 0 HG23 VAL A 37 -8.833 -3.569 -11.652 1.00 23.41 H new ATOM 585 N ILE A 38 -4.273 -1.287 -11.464 1.00 54.13 N ATOM 586 CA ILE A 38 -2.995 -1.059 -10.851 1.00 55.24 C ATOM 587 C ILE A 38 -2.978 0.246 -10.110 1.00 54.32 C ATOM 588 O ILE A 38 -3.248 1.293 -10.682 1.00 32.23 O ATOM 589 CB ILE A 38 -1.839 -1.068 -11.884 1.00 61.54 C ATOM 590 CG1 ILE A 38 -1.880 -2.321 -12.733 1.00 44.40 C ATOM 591 CG2 ILE A 38 -0.486 -0.917 -11.223 1.00 34.44 C ATOM 592 CD1 ILE A 38 -2.726 -2.170 -13.967 1.00 60.14 C ATOM 0 H ILE A 38 -4.533 -0.601 -12.173 1.00 54.13 H new ATOM 0 HA ILE A 38 -2.840 -1.881 -10.152 1.00 55.24 H new ATOM 0 HB ILE A 38 -1.984 -0.204 -12.533 1.00 61.54 H new ATOM 0 HG12 ILE A 38 -0.865 -2.587 -13.026 1.00 44.40 H new ATOM 0 HG13 ILE A 38 -2.266 -3.146 -12.134 1.00 44.40 H new ATOM 0 HG21 ILE A 38 0.294 -0.929 -11.984 1.00 34.44 H new ATOM 0 HG22 ILE A 38 -0.450 0.028 -10.680 1.00 34.44 H new ATOM 0 HG23 ILE A 38 -0.327 -1.741 -10.528 1.00 34.44 H new ATOM 0 HD11 ILE A 38 -2.714 -3.102 -14.532 1.00 60.14 H new ATOM 0 HD12 ILE A 38 -3.750 -1.933 -13.679 1.00 60.14 H new ATOM 0 HD13 ILE A 38 -2.327 -1.366 -14.585 1.00 60.14 H new ATOM 604 N PHE A 39 -2.685 0.156 -8.852 1.00 71.44 N ATOM 605 CA PHE A 39 -2.543 1.277 -7.967 1.00 51.11 C ATOM 606 C PHE A 39 -1.082 1.601 -7.817 1.00 20.44 C ATOM 607 O PHE A 39 -0.332 0.807 -7.226 1.00 53.11 O ATOM 608 CB PHE A 39 -3.072 0.915 -6.586 1.00 30.52 C ATOM 609 CG PHE A 39 -4.543 0.762 -6.482 1.00 2.31 C ATOM 610 CD1 PHE A 39 -5.204 -0.298 -7.085 1.00 24.53 C ATOM 611 CD2 PHE A 39 -5.272 1.688 -5.775 1.00 43.32 C ATOM 612 CE1 PHE A 39 -6.567 -0.421 -6.977 1.00 54.40 C ATOM 613 CE2 PHE A 39 -6.624 1.576 -5.662 1.00 50.45 C ATOM 614 CZ PHE A 39 -7.280 0.518 -6.263 1.00 74.13 C ATOM 0 H PHE A 39 -2.530 -0.740 -8.389 1.00 71.44 H new ATOM 0 HA PHE A 39 -3.095 2.122 -8.378 1.00 51.11 H new ATOM 0 HB2 PHE A 39 -2.605 -0.018 -6.271 1.00 30.52 H new ATOM 0 HB3 PHE A 39 -2.754 1.684 -5.882 1.00 30.52 H new ATOM 0 HD1 PHE A 39 -4.642 -1.032 -7.644 1.00 24.53 H new ATOM 0 HD2 PHE A 39 -4.765 2.516 -5.302 1.00 43.32 H new ATOM 0 HE1 PHE A 39 -7.077 -1.248 -7.448 1.00 54.40 H new ATOM 0 HE2 PHE A 39 -7.183 2.312 -5.104 1.00 50.45 H new ATOM 0 HZ PHE A 39 -8.352 0.427 -6.173 1.00 74.13 H new ATOM 624 N ILE A 40 -0.653 2.713 -8.342 1.00 33.54 N ATOM 625 CA ILE A 40 0.738 3.083 -8.199 1.00 42.05 C ATOM 626 C ILE A 40 0.845 3.938 -6.985 1.00 1.42 C ATOM 627 O ILE A 40 0.218 5.001 -6.917 1.00 4.05 O ATOM 628 CB ILE A 40 1.264 3.892 -9.388 1.00 1.02 C ATOM 629 CG1 ILE A 40 0.794 3.266 -10.678 1.00 33.41 C ATOM 630 CG2 ILE A 40 2.791 3.961 -9.346 1.00 41.20 C ATOM 631 CD1 ILE A 40 1.406 3.863 -11.916 1.00 22.22 C ATOM 0 H ILE A 40 -1.229 3.373 -8.865 1.00 33.54 H new ATOM 0 HA ILE A 40 1.328 2.169 -8.134 1.00 42.05 H new ATOM 0 HB ILE A 40 0.875 4.909 -9.330 1.00 1.02 H new ATOM 0 HG12 ILE A 40 1.019 2.200 -10.654 1.00 33.41 H new ATOM 0 HG13 ILE A 40 -0.290 3.362 -10.741 1.00 33.41 H new ATOM 0 HG21 ILE A 40 3.153 4.539 -10.197 1.00 41.20 H new ATOM 0 HG22 ILE A 40 3.108 4.441 -8.420 1.00 41.20 H new ATOM 0 HG23 ILE A 40 3.202 2.953 -9.391 1.00 41.20 H new ATOM 0 HD11 ILE A 40 1.014 3.355 -12.797 1.00 22.22 H new ATOM 0 HD12 ILE A 40 1.160 4.923 -11.969 1.00 22.22 H new ATOM 0 HD13 ILE A 40 2.489 3.744 -11.880 1.00 22.22 H new ATOM 643 N THR A 41 1.593 3.502 -6.022 1.00 61.34 N ATOM 644 CA THR A 41 1.690 4.243 -4.830 1.00 52.30 C ATOM 645 C THR A 41 3.117 4.712 -4.618 1.00 15.04 C ATOM 646 O THR A 41 4.038 4.233 -5.269 1.00 50.53 O ATOM 647 CB THR A 41 1.194 3.452 -3.594 1.00 14.12 C ATOM 648 OG1 THR A 41 2.069 2.348 -3.320 1.00 73.03 O ATOM 649 CG2 THR A 41 -0.206 2.897 -3.815 1.00 71.53 C ATOM 0 H THR A 41 2.138 2.640 -6.048 1.00 61.34 H new ATOM 0 HA THR A 41 1.035 5.108 -4.937 1.00 52.30 H new ATOM 0 HB THR A 41 1.183 4.147 -2.755 1.00 14.12 H new ATOM 0 HG1 THR A 41 2.675 2.215 -4.078 1.00 73.03 H new ATOM 0 HG21 THR A 41 -0.524 2.348 -2.929 1.00 71.53 H new ATOM 0 HG22 THR A 41 -0.898 3.719 -4.000 1.00 71.53 H new ATOM 0 HG23 THR A 41 -0.200 2.227 -4.675 1.00 71.53 H new ATOM 657 N LYS A 42 3.282 5.622 -3.692 1.00 61.10 N ATOM 658 CA LYS A 42 4.586 6.221 -3.385 1.00 4.34 C ATOM 659 C LYS A 42 5.667 5.250 -2.817 1.00 61.42 C ATOM 660 O LYS A 42 6.795 5.668 -2.573 1.00 3.21 O ATOM 661 CB LYS A 42 4.429 7.515 -2.537 1.00 41.04 C ATOM 662 CG LYS A 42 3.434 7.427 -1.371 1.00 44.14 C ATOM 663 CD LYS A 42 3.779 6.333 -0.399 1.00 20.53 C ATOM 664 CE LYS A 42 2.744 6.235 0.705 1.00 64.31 C ATOM 665 NZ LYS A 42 3.037 5.128 1.629 1.00 2.23 N ATOM 0 H LYS A 42 2.519 5.981 -3.118 1.00 61.10 H new ATOM 0 HA LYS A 42 4.997 6.496 -4.356 1.00 4.34 H new ATOM 0 HB2 LYS A 42 5.406 7.787 -2.138 1.00 41.04 H new ATOM 0 HB3 LYS A 42 4.117 8.325 -3.197 1.00 41.04 H new ATOM 0 HG2 LYS A 42 3.411 8.381 -0.845 1.00 44.14 H new ATOM 0 HG3 LYS A 42 2.432 7.256 -1.765 1.00 44.14 H new ATOM 0 HD2 LYS A 42 3.844 5.381 -0.926 1.00 20.53 H new ATOM 0 HD3 LYS A 42 4.761 6.524 0.035 1.00 20.53 H new ATOM 0 HE2 LYS A 42 2.713 7.173 1.259 1.00 64.31 H new ATOM 0 HE3 LYS A 42 1.757 6.091 0.266 1.00 64.31 H new ATOM 0 HZ1 LYS A 42 2.308 5.092 2.370 1.00 2.23 H new ATOM 0 HZ2 LYS A 42 3.042 4.230 1.104 1.00 2.23 H new ATOM 0 HZ3 LYS A 42 3.968 5.278 2.066 1.00 2.23 H new ATOM 679 N ARG A 43 5.315 3.987 -2.579 1.00 14.51 N ATOM 680 CA ARG A 43 6.311 2.982 -2.168 1.00 13.31 C ATOM 681 C ARG A 43 6.116 1.657 -2.857 1.00 65.11 C ATOM 682 O ARG A 43 6.677 0.653 -2.437 1.00 44.01 O ATOM 683 CB ARG A 43 6.369 2.736 -0.666 1.00 0.01 C ATOM 684 CG ARG A 43 6.937 3.865 0.153 1.00 2.43 C ATOM 685 CD ARG A 43 7.403 3.335 1.486 1.00 0.03 C ATOM 686 NE ARG A 43 8.485 2.335 1.298 1.00 15.24 N ATOM 687 CZ ARG A 43 9.019 1.555 2.259 1.00 4.42 C ATOM 688 NH1 ARG A 43 8.574 1.623 3.510 1.00 31.10 N ATOM 689 NH2 ARG A 43 9.999 0.705 1.952 1.00 21.03 N ATOM 0 H ARG A 43 4.362 3.633 -2.661 1.00 14.51 H new ATOM 0 HA ARG A 43 7.258 3.425 -2.476 1.00 13.31 H new ATOM 0 HB2 ARG A 43 5.361 2.524 -0.311 1.00 0.01 H new ATOM 0 HB3 ARG A 43 6.966 1.842 -0.484 1.00 0.01 H new ATOM 0 HG2 ARG A 43 7.769 4.330 -0.376 1.00 2.43 H new ATOM 0 HG3 ARG A 43 6.182 4.637 0.301 1.00 2.43 H new ATOM 0 HD2 ARG A 43 7.763 4.157 2.105 1.00 0.03 H new ATOM 0 HD3 ARG A 43 6.566 2.879 2.016 1.00 0.03 H new ATOM 0 HE ARG A 43 8.858 2.229 0.355 1.00 15.24 H new ATOM 0 HH11 ARG A 43 7.822 2.269 3.749 1.00 31.10 H new ATOM 0 HH12 ARG A 43 8.984 1.029 4.230 1.00 31.10 H new ATOM 0 HH21 ARG A 43 10.342 0.647 0.993 1.00 21.03 H new ATOM 0 HH22 ARG A 43 10.406 0.113 2.676 1.00 21.03 H new ATOM 703 N GLY A 44 5.361 1.626 -3.904 1.00 31.53 N ATOM 704 CA GLY A 44 5.164 0.377 -4.556 1.00 40.42 C ATOM 705 C GLY A 44 3.875 0.321 -5.267 1.00 74.01 C ATOM 706 O GLY A 44 3.254 1.353 -5.524 1.00 33.31 O ATOM 0 H GLY A 44 4.883 2.427 -4.317 1.00 31.53 H new ATOM 0 HA2 GLY A 44 5.976 0.206 -5.263 1.00 40.42 H new ATOM 0 HA3 GLY A 44 5.207 -0.426 -3.821 1.00 40.42 H new ATOM 710 N LEU A 45 3.428 -0.863 -5.564 1.00 33.42 N ATOM 711 CA LEU A 45 2.232 -1.001 -6.356 1.00 35.31 C ATOM 712 C LEU A 45 1.278 -2.009 -5.781 1.00 0.35 C ATOM 713 O LEU A 45 1.672 -2.989 -5.146 1.00 74.22 O ATOM 714 CB LEU A 45 2.514 -1.386 -7.837 1.00 0.42 C ATOM 715 CG LEU A 45 3.399 -0.451 -8.680 1.00 21.12 C ATOM 716 CD1 LEU A 45 4.872 -0.584 -8.317 1.00 52.51 C ATOM 717 CD2 LEU A 45 3.174 -0.696 -10.158 1.00 71.44 C ATOM 0 H LEU A 45 3.863 -1.740 -5.277 1.00 33.42 H new ATOM 0 HA LEU A 45 1.779 -0.010 -6.333 1.00 35.31 H new ATOM 0 HB2 LEU A 45 2.976 -2.373 -7.841 1.00 0.42 H new ATOM 0 HB3 LEU A 45 1.554 -1.481 -8.344 1.00 0.42 H new ATOM 0 HG LEU A 45 3.107 0.574 -8.453 1.00 21.12 H new ATOM 0 HD11 LEU A 45 5.462 0.093 -8.935 1.00 52.51 H new ATOM 0 HD12 LEU A 45 5.012 -0.331 -7.266 1.00 52.51 H new ATOM 0 HD13 LEU A 45 5.198 -1.610 -8.490 1.00 52.51 H new ATOM 0 HD21 LEU A 45 3.808 -0.026 -10.739 1.00 71.44 H new ATOM 0 HD22 LEU A 45 3.423 -1.730 -10.398 1.00 71.44 H new ATOM 0 HD23 LEU A 45 2.128 -0.509 -10.403 1.00 71.44 H new ATOM 729 N LYS A 46 0.044 -1.747 -5.994 1.00 60.11 N ATOM 730 CA LYS A 46 -1.013 -2.643 -5.680 1.00 12.42 C ATOM 731 C LYS A 46 -1.690 -3.027 -6.979 1.00 53.41 C ATOM 732 O LYS A 46 -2.194 -2.178 -7.695 1.00 53.10 O ATOM 733 CB LYS A 46 -2.004 -1.971 -4.696 1.00 3.21 C ATOM 734 CG LYS A 46 -3.416 -2.543 -4.713 1.00 22.40 C ATOM 735 CD LYS A 46 -4.355 -1.752 -3.808 1.00 1.23 C ATOM 736 CE LYS A 46 -5.803 -2.144 -4.064 1.00 72.55 C ATOM 737 NZ LYS A 46 -6.753 -1.479 -3.136 1.00 62.25 N ATOM 0 H LYS A 46 -0.274 -0.871 -6.407 1.00 60.11 H new ATOM 0 HA LYS A 46 -0.634 -3.539 -5.189 1.00 12.42 H new ATOM 0 HB2 LYS A 46 -1.605 -2.059 -3.686 1.00 3.21 H new ATOM 0 HB3 LYS A 46 -2.056 -0.907 -4.927 1.00 3.21 H new ATOM 0 HG2 LYS A 46 -3.800 -2.534 -5.733 1.00 22.40 H new ATOM 0 HG3 LYS A 46 -3.391 -3.584 -4.391 1.00 22.40 H new ATOM 0 HD2 LYS A 46 -4.102 -1.935 -2.764 1.00 1.23 H new ATOM 0 HD3 LYS A 46 -4.225 -0.684 -3.985 1.00 1.23 H new ATOM 0 HE2 LYS A 46 -6.067 -1.890 -5.090 1.00 72.55 H new ATOM 0 HE3 LYS A 46 -5.904 -3.225 -3.967 1.00 72.55 H new ATOM 0 HZ1 LYS A 46 -7.723 -1.782 -3.356 1.00 62.25 H new ATOM 0 HZ2 LYS A 46 -6.522 -1.741 -2.156 1.00 62.25 H new ATOM 0 HZ3 LYS A 46 -6.680 -0.447 -3.245 1.00 62.25 H new ATOM 751 N VAL A 47 -1.688 -4.278 -7.281 1.00 1.22 N ATOM 752 CA VAL A 47 -2.310 -4.760 -8.478 1.00 71.43 C ATOM 753 C VAL A 47 -3.480 -5.588 -8.114 1.00 74.11 C ATOM 754 O VAL A 47 -3.385 -6.590 -7.398 1.00 22.01 O ATOM 755 CB VAL A 47 -1.335 -5.506 -9.442 1.00 41.01 C ATOM 756 CG1 VAL A 47 -0.310 -4.541 -9.988 1.00 60.13 C ATOM 757 CG2 VAL A 47 -0.633 -6.657 -8.751 1.00 31.20 C ATOM 0 H VAL A 47 -1.256 -5.003 -6.708 1.00 1.22 H new ATOM 0 HA VAL A 47 -2.641 -3.894 -9.051 1.00 71.43 H new ATOM 0 HB VAL A 47 -1.929 -5.916 -10.259 1.00 41.01 H new ATOM 0 HG11 VAL A 47 0.366 -5.070 -10.660 1.00 60.13 H new ATOM 0 HG12 VAL A 47 -0.815 -3.745 -10.535 1.00 60.13 H new ATOM 0 HG13 VAL A 47 0.260 -4.111 -9.164 1.00 60.13 H new ATOM 0 HG21 VAL A 47 0.037 -7.150 -9.455 1.00 31.20 H new ATOM 0 HG22 VAL A 47 -0.056 -6.278 -7.907 1.00 31.20 H new ATOM 0 HG23 VAL A 47 -1.373 -7.372 -8.392 1.00 31.20 H new ATOM 767 N CYS A 48 -4.574 -5.171 -8.556 1.00 12.34 N ATOM 768 CA CYS A 48 -5.770 -5.800 -8.199 1.00 34.44 C ATOM 769 C CYS A 48 -6.414 -6.257 -9.428 1.00 74.41 C ATOM 770 O CYS A 48 -6.731 -5.457 -10.276 1.00 12.44 O ATOM 771 CB CYS A 48 -6.665 -4.819 -7.480 1.00 40.21 C ATOM 772 SG CYS A 48 -8.088 -5.595 -6.698 1.00 43.04 S ATOM 0 H CYS A 48 -4.678 -4.374 -9.184 1.00 12.34 H new ATOM 0 HA CYS A 48 -5.580 -6.643 -7.534 1.00 34.44 H new ATOM 0 HB2 CYS A 48 -6.083 -4.295 -6.722 1.00 40.21 H new ATOM 0 HB3 CYS A 48 -7.013 -4.068 -8.189 1.00 40.21 H new ATOM 777 N CYS A 49 -6.592 -7.513 -9.578 1.00 22.25 N ATOM 778 CA CYS A 49 -7.176 -7.934 -10.772 1.00 30.02 C ATOM 779 C CYS A 49 -8.464 -8.676 -10.497 1.00 32.12 C ATOM 780 O CYS A 49 -8.547 -9.533 -9.597 1.00 24.04 O ATOM 781 CB CYS A 49 -6.190 -8.695 -11.640 1.00 5.12 C ATOM 782 SG CYS A 49 -6.748 -8.861 -13.344 1.00 13.44 S ATOM 0 H CYS A 49 -6.348 -8.242 -8.907 1.00 22.25 H new ATOM 0 HA CYS A 49 -7.450 -7.060 -11.363 1.00 30.02 H new ATOM 0 HB2 CYS A 49 -5.228 -8.182 -11.625 1.00 5.12 H new ATOM 0 HB3 CYS A 49 -6.029 -9.686 -11.216 1.00 5.12 H new ATOM 787 N ASP A 50 -9.441 -8.325 -11.260 1.00 62.42 N ATOM 788 CA ASP A 50 -10.792 -8.731 -11.100 1.00 43.11 C ATOM 789 C ASP A 50 -11.331 -9.426 -12.339 1.00 61.23 C ATOM 790 O ASP A 50 -11.562 -8.806 -13.352 1.00 64.10 O ATOM 791 CB ASP A 50 -11.633 -7.483 -10.824 1.00 13.33 C ATOM 792 CG ASP A 50 -13.109 -7.755 -10.744 1.00 14.22 C ATOM 793 OD1 ASP A 50 -13.555 -8.292 -9.729 1.00 51.41 O ATOM 794 OD2 ASP A 50 -13.845 -7.422 -11.694 1.00 34.00 O ATOM 0 H ASP A 50 -9.308 -7.708 -12.062 1.00 62.42 H new ATOM 0 HA ASP A 50 -10.844 -9.442 -10.275 1.00 43.11 H new ATOM 0 HB2 ASP A 50 -11.304 -7.034 -9.887 1.00 13.33 H new ATOM 0 HB3 ASP A 50 -11.449 -6.751 -11.610 1.00 13.33 H new ATOM 799 N PRO A 51 -11.519 -10.722 -12.276 1.00 5.12 N ATOM 800 CA PRO A 51 -12.194 -11.487 -13.334 1.00 4.13 C ATOM 801 C PRO A 51 -13.714 -11.421 -13.108 1.00 40.11 C ATOM 802 O PRO A 51 -14.454 -12.365 -13.416 1.00 25.03 O ATOM 803 CB PRO A 51 -11.692 -12.899 -13.071 1.00 24.20 C ATOM 804 CG PRO A 51 -11.512 -12.949 -11.602 1.00 20.43 C ATOM 805 CD PRO A 51 -11.071 -11.575 -11.188 1.00 51.24 C ATOM 0 HA PRO A 51 -12.000 -11.132 -14.346 1.00 4.13 H new ATOM 0 HB2 PRO A 51 -12.409 -13.647 -13.411 1.00 24.20 H new ATOM 0 HB3 PRO A 51 -10.756 -13.094 -13.594 1.00 24.20 H new ATOM 0 HG2 PRO A 51 -12.442 -13.226 -11.105 1.00 20.43 H new ATOM 0 HG3 PRO A 51 -10.768 -13.696 -11.326 1.00 20.43 H new ATOM 0 HD2 PRO A 51 -11.519 -11.281 -10.239 1.00 51.24 H new ATOM 0 HD3 PRO A 51 -9.990 -11.524 -11.060 1.00 51.24 H new ATOM 1207 N THR B 210 14.369 -3.463 -10.517 1.00 54.13 N ATOM 1208 CA THR B 210 13.403 -3.461 -9.480 1.00 12.04 C ATOM 1209 C THR B 210 12.025 -3.812 -10.021 1.00 12.23 C ATOM 1210 O THR B 210 11.220 -2.940 -10.368 1.00 13.33 O ATOM 1211 CB THR B 210 13.400 -2.110 -8.742 1.00 3.54 C ATOM 1212 OG1 THR B 210 13.413 -1.041 -9.711 1.00 33.41 O ATOM 1213 CG2 THR B 210 14.617 -1.988 -7.834 1.00 23.22 C ATOM 0 HA THR B 210 13.672 -4.230 -8.756 1.00 12.04 H new ATOM 0 HB THR B 210 12.502 -2.047 -8.127 1.00 3.54 H new ATOM 0 HG1 THR B 210 12.505 -0.895 -10.049 1.00 33.41 H new ATOM 0 HG21 THR B 210 14.594 -1.026 -7.323 1.00 23.22 H new ATOM 0 HG22 THR B 210 14.603 -2.791 -7.097 1.00 23.22 H new ATOM 0 HG23 THR B 210 15.526 -2.060 -8.432 1.00 23.22 H new ATOM 1221 N CYS B 211 11.781 -5.093 -10.125 1.00 74.00 N ATOM 1222 CA CYS B 211 10.535 -5.585 -10.617 1.00 50.41 C ATOM 1223 C CYS B 211 9.976 -6.520 -9.585 1.00 0.45 C ATOM 1224 O CYS B 211 10.737 -7.225 -8.904 1.00 75.30 O ATOM 1225 CB CYS B 211 10.722 -6.372 -11.925 1.00 71.40 C ATOM 1226 SG CYS B 211 11.767 -5.585 -13.224 1.00 23.11 S ATOM 0 H CYS B 211 12.448 -5.821 -9.868 1.00 74.00 H new ATOM 0 HA CYS B 211 9.871 -4.742 -10.811 1.00 50.41 H new ATOM 0 HB2 CYS B 211 11.157 -7.341 -11.680 1.00 71.40 H new ATOM 0 HB3 CYS B 211 9.737 -6.563 -12.351 1.00 71.40 H new ATOM 1231 N VAL B 212 8.693 -6.531 -9.452 1.00 51.53 N ATOM 1232 CA VAL B 212 8.019 -7.397 -8.523 1.00 72.22 C ATOM 1233 C VAL B 212 6.872 -8.113 -9.239 1.00 74.12 C ATOM 1234 O VAL B 212 6.133 -7.499 -10.015 1.00 41.02 O ATOM 1235 CB VAL B 212 7.533 -6.621 -7.250 1.00 32.10 C ATOM 1236 CG1 VAL B 212 8.720 -6.185 -6.404 1.00 54.14 C ATOM 1237 CG2 VAL B 212 6.726 -5.390 -7.640 1.00 23.30 C ATOM 0 H VAL B 212 8.066 -5.933 -9.990 1.00 51.53 H new ATOM 0 HA VAL B 212 8.723 -8.147 -8.163 1.00 72.22 H new ATOM 0 HB VAL B 212 6.902 -7.297 -6.673 1.00 32.10 H new ATOM 0 HG11 VAL B 212 8.363 -5.648 -5.525 1.00 54.14 H new ATOM 0 HG12 VAL B 212 9.284 -7.063 -6.089 1.00 54.14 H new ATOM 0 HG13 VAL B 212 9.365 -5.531 -6.991 1.00 54.14 H new ATOM 0 HG21 VAL B 212 6.400 -4.869 -6.740 1.00 23.30 H new ATOM 0 HG22 VAL B 212 7.345 -4.724 -8.241 1.00 23.30 H new ATOM 0 HG23 VAL B 212 5.854 -5.695 -8.219 1.00 23.30 H new ATOM 1247 N SER B 213 6.741 -9.390 -9.023 1.00 20.23 N ATOM 1248 CA SER B 213 5.756 -10.160 -9.741 1.00 51.05 C ATOM 1249 C SER B 213 4.989 -11.126 -8.847 1.00 74.20 C ATOM 1250 O SER B 213 5.565 -11.787 -7.976 1.00 0.25 O ATOM 1251 CB SER B 213 6.440 -10.896 -10.905 1.00 53.22 C ATOM 1252 OG SER B 213 7.576 -11.640 -10.458 1.00 31.24 O ATOM 0 H SER B 213 7.301 -9.923 -8.358 1.00 20.23 H new ATOM 0 HA SER B 213 5.010 -9.469 -10.133 1.00 51.05 H new ATOM 0 HB2 SER B 213 5.727 -11.569 -11.381 1.00 53.22 H new ATOM 0 HB3 SER B 213 6.750 -10.175 -11.661 1.00 53.22 H new ATOM 0 HG SER B 213 7.988 -12.098 -11.220 1.00 31.24 H new ATOM 1258 N LEU B 214 3.689 -11.183 -9.048 1.00 31.21 N ATOM 1259 CA LEU B 214 2.836 -12.125 -8.314 1.00 4.32 C ATOM 1260 C LEU B 214 1.877 -12.851 -9.208 1.00 12.45 C ATOM 1261 O LEU B 214 1.357 -12.295 -10.186 1.00 71.45 O ATOM 1262 CB LEU B 214 2.063 -11.482 -7.162 1.00 12.14 C ATOM 1263 CG LEU B 214 2.869 -11.083 -5.928 1.00 73.13 C ATOM 1264 CD1 LEU B 214 1.961 -10.436 -4.900 1.00 1.35 C ATOM 1265 CD2 LEU B 214 3.554 -12.299 -5.316 1.00 4.55 C ATOM 0 H LEU B 214 3.189 -10.592 -9.712 1.00 31.21 H new ATOM 0 HA LEU B 214 3.537 -12.843 -7.888 1.00 4.32 H new ATOM 0 HB2 LEU B 214 1.564 -10.592 -7.544 1.00 12.14 H new ATOM 0 HB3 LEU B 214 1.283 -12.175 -6.848 1.00 12.14 H new ATOM 0 HG LEU B 214 3.633 -10.369 -6.234 1.00 73.13 H new ATOM 0 HD11 LEU B 214 2.545 -10.155 -4.024 1.00 1.35 H new ATOM 0 HD12 LEU B 214 1.501 -9.546 -5.330 1.00 1.35 H new ATOM 0 HD13 LEU B 214 1.183 -11.141 -4.607 1.00 1.35 H new ATOM 0 HD21 LEU B 214 4.123 -11.993 -4.438 1.00 4.55 H new ATOM 0 HD22 LEU B 214 2.802 -13.032 -5.023 1.00 4.55 H new ATOM 0 HD23 LEU B 214 4.228 -12.744 -6.048 1.00 4.55 H new ATOM 1277 N THR B 215 1.650 -14.091 -8.879 1.00 60.23 N ATOM 1278 CA THR B 215 0.718 -14.901 -9.570 1.00 62.03 C ATOM 1279 C THR B 215 -0.628 -14.904 -8.856 1.00 32.25 C ATOM 1280 O THR B 215 -0.713 -15.151 -7.644 1.00 75.15 O ATOM 1281 CB THR B 215 1.261 -16.326 -9.762 1.00 14.01 C ATOM 1282 OG1 THR B 215 1.789 -16.820 -8.509 1.00 33.42 O ATOM 1283 CG2 THR B 215 2.348 -16.340 -10.828 1.00 51.43 C ATOM 0 H THR B 215 2.121 -14.565 -8.108 1.00 60.23 H new ATOM 0 HA THR B 215 0.565 -14.476 -10.562 1.00 62.03 H new ATOM 0 HB THR B 215 0.447 -16.973 -10.088 1.00 14.01 H new ATOM 0 HG1 THR B 215 1.231 -16.500 -7.770 1.00 33.42 H new ATOM 0 HG21 THR B 215 2.723 -17.356 -10.952 1.00 51.43 H new ATOM 0 HG22 THR B 215 1.935 -15.987 -11.773 1.00 51.43 H new ATOM 0 HG23 THR B 215 3.165 -15.687 -10.523 1.00 51.43 H new ATOM 1291 N THR B 216 -1.646 -14.615 -9.598 1.00 12.44 N ATOM 1292 CA THR B 216 -2.984 -14.531 -9.112 1.00 23.10 C ATOM 1293 C THR B 216 -3.902 -14.976 -10.232 1.00 72.40 C ATOM 1294 O THR B 216 -3.601 -14.714 -11.407 1.00 42.53 O ATOM 1295 CB THR B 216 -3.333 -13.074 -8.639 1.00 2.32 C ATOM 1296 OG1 THR B 216 -4.703 -12.983 -8.232 1.00 70.45 O ATOM 1297 CG2 THR B 216 -3.056 -12.038 -9.731 1.00 3.44 C ATOM 0 H THR B 216 -1.566 -14.424 -10.597 1.00 12.44 H new ATOM 0 HA THR B 216 -3.107 -15.174 -8.240 1.00 23.10 H new ATOM 0 HB THR B 216 -2.688 -12.856 -7.788 1.00 2.32 H new ATOM 0 HG1 THR B 216 -4.897 -12.068 -7.940 1.00 70.45 H new ATOM 0 HG21 THR B 216 -3.311 -11.044 -9.363 1.00 3.44 H new ATOM 0 HG22 THR B 216 -2.000 -12.066 -9.999 1.00 3.44 H new ATOM 0 HG23 THR B 216 -3.660 -12.265 -10.610 1.00 3.44 H new ATOM 1305 N GLN B 217 -4.997 -15.675 -9.874 1.00 32.35 N ATOM 1306 CA GLN B 217 -5.961 -16.221 -10.842 1.00 63.20 C ATOM 1307 C GLN B 217 -5.323 -17.349 -11.654 1.00 2.14 C ATOM 1308 O GLN B 217 -4.172 -17.731 -11.421 1.00 72.43 O ATOM 1309 CB GLN B 217 -6.463 -15.139 -11.803 1.00 43.05 C ATOM 1310 CG GLN B 217 -7.133 -13.957 -11.155 1.00 72.00 C ATOM 1311 CD GLN B 217 -7.476 -12.914 -12.179 1.00 63.12 C ATOM 1312 OE1 GLN B 217 -8.540 -12.928 -12.749 1.00 5.13 O ATOM 1313 NE2 GLN B 217 -6.562 -12.017 -12.429 1.00 30.41 N ATOM 0 H GLN B 217 -5.236 -15.876 -8.903 1.00 32.35 H new ATOM 0 HA GLN B 217 -6.807 -16.607 -10.274 1.00 63.20 H new ATOM 0 HB2 GLN B 217 -5.618 -14.779 -12.390 1.00 43.05 H new ATOM 0 HB3 GLN B 217 -7.165 -15.595 -12.501 1.00 43.05 H new ATOM 0 HG2 GLN B 217 -8.038 -14.282 -10.642 1.00 72.00 H new ATOM 0 HG3 GLN B 217 -6.475 -13.529 -10.399 1.00 72.00 H new ATOM 0 HE21 GLN B 217 -5.675 -12.039 -11.926 1.00 30.41 H new ATOM 0 HE22 GLN B 217 -6.735 -11.294 -13.128 1.00 30.41 H new ATOM 1322 N ARG B 218 -6.079 -17.896 -12.569 1.00 53.24 N ATOM 1323 CA ARG B 218 -5.575 -18.911 -13.471 1.00 70.21 C ATOM 1324 C ARG B 218 -6.231 -18.773 -14.837 1.00 54.24 C ATOM 1325 O ARG B 218 -6.213 -19.694 -15.655 1.00 50.45 O ATOM 1326 CB ARG B 218 -5.748 -20.322 -12.868 1.00 62.42 C ATOM 1327 CG ARG B 218 -7.159 -20.665 -12.442 1.00 11.11 C ATOM 1328 CD ARG B 218 -7.214 -22.022 -11.763 1.00 72.41 C ATOM 1329 NE ARG B 218 -8.553 -22.315 -11.257 1.00 63.31 N ATOM 1330 CZ ARG B 218 -8.832 -23.132 -10.235 1.00 51.41 C ATOM 1331 NH1 ARG B 218 -7.860 -23.822 -9.626 1.00 52.53 N ATOM 1332 NH2 ARG B 218 -10.088 -23.263 -9.832 1.00 11.12 N ATOM 0 H ARG B 218 -7.059 -17.655 -12.714 1.00 53.24 H new ATOM 0 HA ARG B 218 -4.504 -18.764 -13.610 1.00 70.21 H new ATOM 0 HB2 ARG B 218 -5.417 -21.057 -13.601 1.00 62.42 H new ATOM 0 HB3 ARG B 218 -5.090 -20.415 -12.004 1.00 62.42 H new ATOM 0 HG2 ARG B 218 -7.532 -19.900 -11.761 1.00 11.11 H new ATOM 0 HG3 ARG B 218 -7.815 -20.664 -13.313 1.00 11.11 H new ATOM 0 HD2 ARG B 218 -6.914 -22.796 -12.470 1.00 72.41 H new ATOM 0 HD3 ARG B 218 -6.500 -22.047 -10.940 1.00 72.41 H new ATOM 0 HE ARG B 218 -9.339 -21.860 -11.721 1.00 63.31 H new ATOM 0 HH11 ARG B 218 -6.894 -23.728 -9.940 1.00 52.53 H new ATOM 0 HH12 ARG B 218 -8.085 -24.442 -8.848 1.00 52.53 H new ATOM 0 HH21 ARG B 218 -10.831 -22.744 -10.300 1.00 11.12 H new ATOM 0 HH22 ARG B 218 -10.312 -23.883 -9.054 1.00 11.12 H new ATOM 1346 N LEU B 219 -6.760 -17.584 -15.101 1.00 63.15 N ATOM 1347 CA LEU B 219 -7.388 -17.293 -16.380 1.00 41.54 C ATOM 1348 C LEU B 219 -6.322 -16.886 -17.370 1.00 74.44 C ATOM 1349 O LEU B 219 -5.540 -15.976 -17.093 1.00 1.02 O ATOM 1350 CB LEU B 219 -8.427 -16.140 -16.304 1.00 31.34 C ATOM 1351 CG LEU B 219 -9.677 -16.314 -15.425 1.00 45.23 C ATOM 1352 CD1 LEU B 219 -9.337 -16.308 -13.952 1.00 31.20 C ATOM 1353 CD2 LEU B 219 -10.683 -15.227 -15.743 1.00 30.23 C ATOM 0 H LEU B 219 -6.765 -16.805 -14.443 1.00 63.15 H new ATOM 0 HA LEU B 219 -7.912 -18.199 -16.685 1.00 41.54 H new ATOM 0 HB2 LEU B 219 -7.904 -15.249 -15.958 1.00 31.34 H new ATOM 0 HB3 LEU B 219 -8.766 -15.936 -17.320 1.00 31.34 H new ATOM 0 HG LEU B 219 -10.113 -17.287 -15.650 1.00 45.23 H new ATOM 0 HD11 LEU B 219 -10.249 -16.433 -13.368 1.00 31.20 H new ATOM 0 HD12 LEU B 219 -8.651 -17.126 -13.734 1.00 31.20 H new ATOM 0 HD13 LEU B 219 -8.866 -15.360 -13.691 1.00 31.20 H new ATOM 0 HD21 LEU B 219 -11.567 -15.355 -15.118 1.00 30.23 H new ATOM 0 HD22 LEU B 219 -10.238 -14.251 -15.548 1.00 30.23 H new ATOM 0 HD23 LEU B 219 -10.969 -15.292 -16.793 1.00 30.23 H new ATOM 1365 N PRO B 220 -6.250 -17.543 -18.523 1.00 74.23 N ATOM 1366 CA PRO B 220 -5.283 -17.189 -19.529 1.00 51.04 C ATOM 1367 C PRO B 220 -5.635 -15.862 -20.196 1.00 31.11 C ATOM 1368 O PRO B 220 -6.814 -15.564 -20.463 1.00 1.51 O ATOM 1369 CB PRO B 220 -5.355 -18.336 -20.538 1.00 23.24 C ATOM 1370 CG PRO B 220 -6.712 -18.920 -20.362 1.00 61.05 C ATOM 1371 CD PRO B 220 -7.099 -18.681 -18.929 1.00 55.10 C ATOM 0 HA PRO B 220 -4.285 -17.056 -19.111 1.00 51.04 H new ATOM 0 HB2 PRO B 220 -5.210 -17.975 -21.556 1.00 23.24 H new ATOM 0 HB3 PRO B 220 -4.579 -19.077 -20.349 1.00 23.24 H new ATOM 0 HG2 PRO B 220 -7.426 -18.452 -21.040 1.00 61.05 H new ATOM 0 HG3 PRO B 220 -6.708 -19.986 -20.590 1.00 61.05 H new ATOM 0 HD2 PRO B 220 -8.159 -18.444 -18.834 1.00 55.10 H new ATOM 0 HD3 PRO B 220 -6.913 -19.560 -18.312 1.00 55.10 H new ATOM 1379 N VAL B 221 -4.632 -15.080 -20.464 1.00 64.44 N ATOM 1380 CA VAL B 221 -4.814 -13.801 -21.096 1.00 55.24 C ATOM 1381 C VAL B 221 -4.617 -13.938 -22.592 1.00 15.14 C ATOM 1382 O VAL B 221 -4.002 -14.904 -23.049 1.00 35.32 O ATOM 1383 CB VAL B 221 -3.841 -12.729 -20.525 1.00 52.22 C ATOM 1384 CG1 VAL B 221 -4.113 -12.506 -19.047 1.00 14.10 C ATOM 1385 CG2 VAL B 221 -2.384 -13.139 -20.738 1.00 30.42 C ATOM 0 H VAL B 221 -3.661 -15.309 -20.251 1.00 64.44 H new ATOM 0 HA VAL B 221 -5.830 -13.466 -20.887 1.00 55.24 H new ATOM 0 HB VAL B 221 -4.013 -11.796 -21.062 1.00 52.22 H new ATOM 0 HG11 VAL B 221 -3.426 -11.754 -18.660 1.00 14.10 H new ATOM 0 HG12 VAL B 221 -5.139 -12.163 -18.914 1.00 14.10 H new ATOM 0 HG13 VAL B 221 -3.970 -13.441 -18.506 1.00 14.10 H new ATOM 0 HG21 VAL B 221 -1.727 -12.372 -20.329 1.00 30.42 H new ATOM 0 HG22 VAL B 221 -2.195 -14.086 -20.232 1.00 30.42 H new ATOM 0 HG23 VAL B 221 -2.190 -13.252 -21.805 1.00 30.42 H new ATOM 1395 N SER B 222 -5.153 -13.005 -23.340 1.00 11.10 N ATOM 1396 CA SER B 222 -5.024 -13.003 -24.787 1.00 24.53 C ATOM 1397 C SER B 222 -3.560 -12.819 -25.235 1.00 3.22 C ATOM 1398 O SER B 222 -3.156 -13.323 -26.288 1.00 44.31 O ATOM 1399 CB SER B 222 -5.890 -11.888 -25.363 1.00 63.22 C ATOM 1400 OG SER B 222 -7.233 -12.017 -24.923 1.00 25.22 O ATOM 0 H SER B 222 -5.692 -12.223 -22.968 1.00 11.10 H new ATOM 0 HA SER B 222 -5.358 -13.971 -25.161 1.00 24.53 H new ATOM 0 HB2 SER B 222 -5.494 -10.919 -25.059 1.00 63.22 H new ATOM 0 HB3 SER B 222 -5.854 -11.919 -26.452 1.00 63.22 H new ATOM 0 HG SER B 222 -7.772 -11.292 -25.302 1.00 25.22 H new ATOM 1406 N ARG B 223 -2.776 -12.109 -24.432 1.00 52.20 N ATOM 1407 CA ARG B 223 -1.394 -11.814 -24.768 1.00 34.22 C ATOM 1408 C ARG B 223 -0.698 -11.202 -23.558 1.00 34.23 C ATOM 1409 O ARG B 223 -1.338 -10.492 -22.774 1.00 11.31 O ATOM 1410 CB ARG B 223 -1.372 -10.818 -25.944 1.00 53.24 C ATOM 1411 CG ARG B 223 0.002 -10.389 -26.408 1.00 34.52 C ATOM 1412 CD ARG B 223 -0.109 -9.403 -27.551 1.00 75.20 C ATOM 1413 NE ARG B 223 1.194 -8.898 -27.976 1.00 32.35 N ATOM 1414 CZ ARG B 223 1.375 -7.936 -28.884 1.00 72.02 C ATOM 1415 NH1 ARG B 223 0.335 -7.403 -29.521 1.00 13.54 N ATOM 1416 NH2 ARG B 223 2.592 -7.514 -29.167 1.00 11.43 N ATOM 0 H ARG B 223 -3.080 -11.726 -23.537 1.00 52.20 H new ATOM 0 HA ARG B 223 -0.874 -12.729 -25.052 1.00 34.22 H new ATOM 0 HB2 ARG B 223 -1.898 -11.266 -26.787 1.00 53.24 H new ATOM 0 HB3 ARG B 223 -1.933 -9.929 -25.655 1.00 53.24 H new ATOM 0 HG2 ARG B 223 0.547 -9.935 -25.580 1.00 34.52 H new ATOM 0 HG3 ARG B 223 0.574 -11.261 -26.726 1.00 34.52 H new ATOM 0 HD2 ARG B 223 -0.603 -9.883 -28.396 1.00 75.20 H new ATOM 0 HD3 ARG B 223 -0.739 -8.567 -27.247 1.00 75.20 H new ATOM 0 HE ARG B 223 2.024 -9.309 -27.549 1.00 32.35 H new ATOM 0 HH11 ARG B 223 -0.610 -7.729 -29.317 1.00 13.54 H new ATOM 0 HH12 ARG B 223 0.483 -6.668 -30.213 1.00 13.54 H new ATOM 0 HH21 ARG B 223 3.397 -7.923 -28.692 1.00 11.43 H new ATOM 0 HH22 ARG B 223 2.728 -6.779 -29.861 1.00 11.43 H new ATOM 1430 N ILE B 224 0.588 -11.495 -23.394 1.00 13.52 N ATOM 1431 CA ILE B 224 1.396 -10.887 -22.344 1.00 54.51 C ATOM 1432 C ILE B 224 1.705 -9.491 -22.826 1.00 74.53 C ATOM 1433 O ILE B 224 2.571 -9.287 -23.693 1.00 14.11 O ATOM 1434 CB ILE B 224 2.752 -11.648 -22.115 1.00 22.42 C ATOM 1435 CG1 ILE B 224 2.538 -13.177 -21.902 1.00 21.43 C ATOM 1436 CG2 ILE B 224 3.525 -11.047 -20.931 1.00 60.32 C ATOM 1437 CD1 ILE B 224 1.706 -13.554 -20.720 1.00 30.43 C ATOM 0 H ILE B 224 1.096 -12.156 -23.981 1.00 13.52 H new ATOM 0 HA ILE B 224 0.853 -10.912 -21.399 1.00 54.51 H new ATOM 0 HB ILE B 224 3.344 -11.522 -23.022 1.00 22.42 H new ATOM 0 HG12 ILE B 224 2.073 -13.589 -22.798 1.00 21.43 H new ATOM 0 HG13 ILE B 224 3.514 -13.652 -21.803 1.00 21.43 H new ATOM 0 HG21 ILE B 224 4.459 -11.591 -20.793 1.00 60.32 H new ATOM 0 HG22 ILE B 224 3.742 -9.998 -21.133 1.00 60.32 H new ATOM 0 HG23 ILE B 224 2.923 -11.125 -20.026 1.00 60.32 H new ATOM 0 HD11 ILE B 224 1.621 -14.639 -20.666 1.00 30.43 H new ATOM 0 HD12 ILE B 224 2.176 -13.181 -19.810 1.00 30.43 H new ATOM 0 HD13 ILE B 224 0.712 -13.117 -20.820 1.00 30.43 H new ATOM 1449 N LYS B 225 0.973 -8.566 -22.333 1.00 11.02 N ATOM 1450 CA LYS B 225 1.075 -7.219 -22.775 1.00 4.34 C ATOM 1451 C LYS B 225 1.769 -6.374 -21.741 1.00 10.25 C ATOM 1452 O LYS B 225 1.652 -6.632 -20.534 1.00 20.34 O ATOM 1453 CB LYS B 225 -0.319 -6.680 -23.079 1.00 4.45 C ATOM 1454 CG LYS B 225 -1.252 -6.698 -21.882 1.00 52.23 C ATOM 1455 CD LYS B 225 -2.637 -6.210 -22.229 1.00 64.43 C ATOM 1456 CE LYS B 225 -3.345 -7.134 -23.177 1.00 42.41 C ATOM 1457 NZ LYS B 225 -4.698 -6.644 -23.498 1.00 75.10 N ATOM 0 H LYS B 225 0.277 -8.719 -21.603 1.00 11.02 H new ATOM 0 HA LYS B 225 1.673 -7.182 -23.686 1.00 4.34 H new ATOM 0 HB2 LYS B 225 -0.232 -5.657 -23.446 1.00 4.45 H new ATOM 0 HB3 LYS B 225 -0.760 -7.270 -23.882 1.00 4.45 H new ATOM 0 HG2 LYS B 225 -1.315 -7.712 -21.488 1.00 52.23 H new ATOM 0 HG3 LYS B 225 -0.837 -6.074 -21.091 1.00 52.23 H new ATOM 0 HD2 LYS B 225 -3.224 -6.110 -21.316 1.00 64.43 H new ATOM 0 HD3 LYS B 225 -2.569 -5.218 -22.675 1.00 64.43 H new ATOM 0 HE2 LYS B 225 -2.764 -7.231 -24.094 1.00 42.41 H new ATOM 0 HE3 LYS B 225 -3.412 -8.128 -22.736 1.00 42.41 H new ATOM 0 HZ1 LYS B 225 -5.259 -7.418 -23.907 1.00 75.10 H new ATOM 0 HZ2 LYS B 225 -5.159 -6.303 -22.630 1.00 75.10 H new ATOM 0 HZ3 LYS B 225 -4.631 -5.865 -24.183 1.00 75.10 H new ATOM 1471 N THR B 226 2.498 -5.399 -22.203 1.00 22.24 N ATOM 1472 CA THR B 226 3.188 -4.502 -21.344 1.00 34.22 C ATOM 1473 C THR B 226 2.663 -3.087 -21.478 1.00 4.04 C ATOM 1474 O THR B 226 2.436 -2.595 -22.583 1.00 74.04 O ATOM 1475 CB THR B 226 4.708 -4.544 -21.586 1.00 54.21 C ATOM 1476 OG1 THR B 226 4.995 -4.501 -23.002 1.00 4.22 O ATOM 1477 CG2 THR B 226 5.324 -5.779 -20.965 1.00 54.20 C ATOM 0 H THR B 226 2.626 -5.209 -23.197 1.00 22.24 H new ATOM 0 HA THR B 226 3.002 -4.833 -20.322 1.00 34.22 H new ATOM 0 HB THR B 226 5.149 -3.668 -21.110 1.00 54.21 H new ATOM 0 HG1 THR B 226 5.965 -4.527 -23.140 1.00 4.22 H new ATOM 0 HG21 THR B 226 6.398 -5.783 -21.151 1.00 54.20 H new ATOM 0 HG22 THR B 226 5.142 -5.775 -19.890 1.00 54.20 H new ATOM 0 HG23 THR B 226 4.876 -6.670 -21.406 1.00 54.20 H new ATOM 1485 N TYR B 227 2.414 -2.472 -20.360 1.00 65.13 N ATOM 1486 CA TYR B 227 2.002 -1.089 -20.303 1.00 65.24 C ATOM 1487 C TYR B 227 3.082 -0.292 -19.616 1.00 32.11 C ATOM 1488 O TYR B 227 3.577 -0.712 -18.580 1.00 44.22 O ATOM 1489 CB TYR B 227 0.657 -0.943 -19.570 1.00 1.24 C ATOM 1490 CG TYR B 227 -0.518 -1.521 -20.318 1.00 74.32 C ATOM 1491 CD1 TYR B 227 -1.162 -0.776 -21.295 1.00 10.44 C ATOM 1492 CD2 TYR B 227 -0.981 -2.807 -20.059 1.00 30.43 C ATOM 1493 CE1 TYR B 227 -2.235 -1.284 -21.989 1.00 71.33 C ATOM 1494 CE2 TYR B 227 -2.057 -3.324 -20.752 1.00 73.43 C ATOM 1495 CZ TYR B 227 -2.678 -2.554 -21.718 1.00 24.51 C ATOM 1496 OH TYR B 227 -3.744 -3.060 -22.416 1.00 73.40 O ATOM 0 H TYR B 227 2.491 -2.918 -19.446 1.00 65.13 H new ATOM 0 HA TYR B 227 1.858 -0.710 -21.315 1.00 65.24 H new ATOM 0 HB2 TYR B 227 0.730 -1.431 -18.598 1.00 1.24 H new ATOM 0 HB3 TYR B 227 0.470 0.114 -19.383 1.00 1.24 H new ATOM 0 HD1 TYR B 227 -0.814 0.222 -21.515 1.00 10.44 H new ATOM 0 HD2 TYR B 227 -0.493 -3.408 -19.306 1.00 30.43 H new ATOM 0 HE1 TYR B 227 -2.726 -0.687 -22.743 1.00 71.33 H new ATOM 0 HE2 TYR B 227 -2.411 -4.322 -20.541 1.00 73.43 H new ATOM 0 HH TYR B 227 -3.765 -2.665 -23.313 1.00 73.40 H new ATOM 1506 N THR B 228 3.468 0.822 -20.187 1.00 50.41 N ATOM 1507 CA THR B 228 4.528 1.607 -19.609 1.00 61.34 C ATOM 1508 C THR B 228 3.969 2.901 -19.019 1.00 34.30 C ATOM 1509 O THR B 228 3.240 3.649 -19.685 1.00 33.44 O ATOM 1510 CB THR B 228 5.633 1.903 -20.637 1.00 12.15 C ATOM 1511 OG1 THR B 228 6.007 0.664 -21.256 1.00 20.25 O ATOM 1512 CG2 THR B 228 6.863 2.472 -19.940 1.00 73.03 C ATOM 0 H THR B 228 3.068 1.203 -21.044 1.00 50.41 H new ATOM 0 HA THR B 228 4.979 1.026 -18.805 1.00 61.34 H new ATOM 0 HB THR B 228 5.265 2.622 -21.369 1.00 12.15 H new ATOM 0 HG1 THR B 228 6.711 0.828 -21.918 1.00 20.25 H new ATOM 0 HG21 THR B 228 7.638 2.677 -20.679 1.00 73.03 H new ATOM 0 HG22 THR B 228 6.596 3.396 -19.428 1.00 73.03 H new ATOM 0 HG23 THR B 228 7.236 1.750 -19.214 1.00 73.03 H new ATOM 1520 N ILE B 229 4.288 3.136 -17.783 1.00 54.21 N ATOM 1521 CA ILE B 229 3.781 4.256 -17.049 1.00 5.15 C ATOM 1522 C ILE B 229 4.951 5.213 -16.774 1.00 10.30 C ATOM 1523 O ILE B 229 6.097 4.784 -16.786 1.00 33.34 O ATOM 1524 CB ILE B 229 3.208 3.793 -15.689 1.00 43.02 C ATOM 1525 CG1 ILE B 229 2.592 2.394 -15.791 1.00 4.42 C ATOM 1526 CG2 ILE B 229 2.118 4.739 -15.325 1.00 4.22 C ATOM 1527 CD1 ILE B 229 2.045 1.825 -14.512 1.00 64.15 C ATOM 0 H ILE B 229 4.920 2.543 -17.245 1.00 54.21 H new ATOM 0 HA ILE B 229 2.993 4.741 -17.626 1.00 5.15 H new ATOM 0 HB ILE B 229 4.011 3.770 -14.952 1.00 43.02 H new ATOM 0 HG12 ILE B 229 1.788 2.424 -16.526 1.00 4.42 H new ATOM 0 HG13 ILE B 229 3.350 1.711 -16.176 1.00 4.42 H new ATOM 0 HG21 ILE B 229 1.686 4.446 -14.368 1.00 4.22 H new ATOM 0 HG22 ILE B 229 2.523 5.748 -15.246 1.00 4.22 H new ATOM 0 HG23 ILE B 229 1.345 4.717 -16.094 1.00 4.22 H new ATOM 0 HD11 ILE B 229 1.635 0.833 -14.701 1.00 64.15 H new ATOM 0 HD12 ILE B 229 2.845 1.752 -13.775 1.00 64.15 H new ATOM 0 HD13 ILE B 229 1.259 2.476 -14.131 1.00 64.15 H new ATOM 1539 N THR B 230 4.671 6.481 -16.592 1.00 42.12 N ATOM 1540 CA THR B 230 5.700 7.474 -16.291 1.00 61.24 C ATOM 1541 C THR B 230 5.270 8.461 -15.173 1.00 73.04 C ATOM 1542 O THR B 230 4.538 9.437 -15.427 1.00 75.13 O ATOM 1543 CB THR B 230 6.218 8.224 -17.560 1.00 41.51 C ATOM 1544 OG1 THR B 230 5.116 8.700 -18.357 1.00 4.10 O ATOM 1545 CG2 THR B 230 7.114 7.332 -18.412 1.00 14.30 C ATOM 0 H THR B 230 3.727 6.864 -16.646 1.00 42.12 H new ATOM 0 HA THR B 230 6.546 6.906 -15.903 1.00 61.24 H new ATOM 0 HB THR B 230 6.806 9.074 -17.213 1.00 41.51 H new ATOM 0 HG1 THR B 230 4.465 9.150 -17.779 1.00 4.10 H new ATOM 0 HG21 THR B 230 7.455 7.887 -19.286 1.00 14.30 H new ATOM 0 HG22 THR B 230 7.976 7.014 -17.825 1.00 14.30 H new ATOM 0 HG23 THR B 230 6.553 6.456 -18.736 1.00 14.30 H new ATOM 1553 N GLU B 231 5.699 8.212 -13.954 1.00 51.24 N ATOM 1554 CA GLU B 231 5.354 9.068 -12.841 1.00 15.00 C ATOM 1555 C GLU B 231 6.547 9.942 -12.517 1.00 60.21 C ATOM 1556 O GLU B 231 7.462 9.519 -11.820 1.00 70.15 O ATOM 1557 CB GLU B 231 4.949 8.217 -11.588 1.00 64.34 C ATOM 1558 CG GLU B 231 3.614 7.440 -11.695 1.00 5.01 C ATOM 1559 CD GLU B 231 3.488 6.672 -12.944 1.00 62.44 C ATOM 1560 OE1 GLU B 231 4.126 5.624 -13.079 1.00 51.31 O ATOM 1561 OE2 GLU B 231 2.756 7.160 -13.831 1.00 61.43 O ATOM 0 H GLU B 231 6.291 7.418 -13.709 1.00 51.24 H new ATOM 0 HA GLU B 231 4.499 9.688 -13.112 1.00 15.00 H new ATOM 0 HB2 GLU B 231 5.747 7.502 -11.386 1.00 64.34 H new ATOM 0 HB3 GLU B 231 4.891 8.882 -10.726 1.00 64.34 H new ATOM 0 HG2 GLU B 231 3.528 6.760 -10.848 1.00 5.01 H new ATOM 0 HG3 GLU B 231 2.785 8.144 -11.624 1.00 5.01 H new ATOM 1568 N GLY B 232 6.534 11.160 -13.025 1.00 10.34 N ATOM 1569 CA GLY B 232 7.645 12.068 -12.820 1.00 41.45 C ATOM 1570 C GLY B 232 8.943 11.531 -13.412 1.00 52.53 C ATOM 1571 O GLY B 232 9.090 11.419 -14.640 1.00 64.24 O ATOM 0 H GLY B 232 5.769 11.542 -13.581 1.00 10.34 H new ATOM 0 HA2 GLY B 232 7.413 13.032 -13.272 1.00 41.45 H new ATOM 0 HA3 GLY B 232 7.779 12.241 -11.752 1.00 41.45 H new ATOM 1575 N SER B 233 9.861 11.171 -12.546 1.00 72.31 N ATOM 1576 CA SER B 233 11.151 10.646 -12.948 1.00 23.55 C ATOM 1577 C SER B 233 11.148 9.111 -12.860 1.00 11.41 C ATOM 1578 O SER B 233 12.197 8.455 -12.945 1.00 14.32 O ATOM 1579 CB SER B 233 12.214 11.219 -12.021 1.00 20.50 C ATOM 1580 OG SER B 233 12.164 12.645 -12.015 1.00 12.24 O ATOM 0 H SER B 233 9.736 11.233 -11.536 1.00 72.31 H new ATOM 0 HA SER B 233 11.363 10.930 -13.979 1.00 23.55 H new ATOM 0 HB2 SER B 233 12.064 10.841 -11.010 1.00 20.50 H new ATOM 0 HB3 SER B 233 13.201 10.886 -12.342 1.00 20.50 H new ATOM 0 HG SER B 233 12.853 12.994 -11.412 1.00 12.24 H new ATOM 1586 N LEU B 234 9.975 8.559 -12.713 1.00 2.41 N ATOM 1587 CA LEU B 234 9.787 7.143 -12.564 1.00 42.32 C ATOM 1588 C LEU B 234 9.061 6.600 -13.791 1.00 23.24 C ATOM 1589 O LEU B 234 8.174 7.234 -14.315 1.00 60.55 O ATOM 1590 CB LEU B 234 8.986 6.908 -11.242 1.00 44.11 C ATOM 1591 CG LEU B 234 8.662 5.466 -10.761 1.00 35.23 C ATOM 1592 CD1 LEU B 234 7.544 4.831 -11.580 1.00 72.03 C ATOM 1593 CD2 LEU B 234 9.917 4.592 -10.792 1.00 24.12 C ATOM 0 H LEU B 234 9.106 9.092 -12.693 1.00 2.41 H new ATOM 0 HA LEU B 234 10.736 6.612 -12.495 1.00 42.32 H new ATOM 0 HB2 LEU B 234 9.538 7.398 -10.440 1.00 44.11 H new ATOM 0 HB3 LEU B 234 8.037 7.434 -11.343 1.00 44.11 H new ATOM 0 HG LEU B 234 8.311 5.537 -9.732 1.00 35.23 H new ATOM 0 HD11 LEU B 234 7.349 3.824 -11.211 1.00 72.03 H new ATOM 0 HD12 LEU B 234 6.639 5.432 -11.489 1.00 72.03 H new ATOM 0 HD13 LEU B 234 7.843 4.782 -12.627 1.00 72.03 H new ATOM 0 HD21 LEU B 234 9.669 3.587 -10.452 1.00 24.12 H new ATOM 0 HD22 LEU B 234 10.303 4.545 -11.810 1.00 24.12 H new ATOM 0 HD23 LEU B 234 10.675 5.020 -10.136 1.00 24.12 H new ATOM 1605 N ARG B 235 9.487 5.465 -14.257 1.00 51.05 N ATOM 1606 CA ARG B 235 8.838 4.771 -15.353 1.00 64.01 C ATOM 1607 C ARG B 235 8.319 3.483 -14.781 1.00 75.40 C ATOM 1608 O ARG B 235 8.876 2.998 -13.842 1.00 14.33 O ATOM 1609 CB ARG B 235 9.857 4.428 -16.436 1.00 70.21 C ATOM 1610 CG ARG B 235 10.566 5.605 -17.072 1.00 32.21 C ATOM 1611 CD ARG B 235 11.674 5.097 -17.969 1.00 60.10 C ATOM 1612 NE ARG B 235 12.452 6.168 -18.596 1.00 42.44 N ATOM 1613 CZ ARG B 235 13.769 6.080 -18.854 1.00 62.12 C ATOM 1614 NH1 ARG B 235 14.469 5.039 -18.406 1.00 74.44 N ATOM 1615 NH2 ARG B 235 14.384 7.046 -19.512 1.00 63.11 N ATOM 0 H ARG B 235 10.305 4.980 -13.889 1.00 51.05 H new ATOM 0 HA ARG B 235 8.052 5.388 -15.789 1.00 64.01 H new ATOM 0 HB2 ARG B 235 10.608 3.766 -16.005 1.00 70.21 H new ATOM 0 HB3 ARG B 235 9.350 3.867 -17.221 1.00 70.21 H new ATOM 0 HG2 ARG B 235 9.859 6.201 -17.650 1.00 32.21 H new ATOM 0 HG3 ARG B 235 10.977 6.257 -16.301 1.00 32.21 H new ATOM 0 HD2 ARG B 235 12.344 4.466 -17.385 1.00 60.10 H new ATOM 0 HD3 ARG B 235 11.242 4.468 -18.748 1.00 60.10 H new ATOM 0 HE ARG B 235 11.968 7.029 -18.851 1.00 42.44 H new ATOM 0 HH11 ARG B 235 14.006 4.307 -17.867 1.00 74.44 H new ATOM 0 HH12 ARG B 235 15.468 4.973 -18.602 1.00 74.44 H new ATOM 0 HH21 ARG B 235 13.860 7.863 -19.827 1.00 63.11 H new ATOM 0 HH22 ARG B 235 15.383 6.975 -19.706 1.00 63.11 H new ATOM 1629 N CYS B 236 7.269 2.952 -15.276 1.00 22.52 N ATOM 1630 CA CYS B 236 6.843 1.669 -14.783 1.00 41.12 C ATOM 1631 C CYS B 236 6.389 0.812 -15.936 1.00 22.42 C ATOM 1632 O CYS B 236 6.024 1.329 -16.965 1.00 32.51 O ATOM 1633 CB CYS B 236 5.743 1.789 -13.744 1.00 35.53 C ATOM 1634 SG CYS B 236 5.743 0.363 -12.572 1.00 63.24 S ATOM 0 H CYS B 236 6.688 3.362 -16.007 1.00 22.52 H new ATOM 0 HA CYS B 236 7.694 1.200 -14.289 1.00 41.12 H new ATOM 0 HB2 CYS B 236 5.870 2.717 -13.186 1.00 35.53 H new ATOM 0 HB3 CYS B 236 4.776 1.848 -14.244 1.00 35.53 H new ATOM 1639 N VAL B 237 6.442 -0.486 -15.785 1.00 13.25 N ATOM 1640 CA VAL B 237 6.015 -1.380 -16.825 1.00 32.45 C ATOM 1641 C VAL B 237 5.161 -2.462 -16.198 1.00 10.03 C ATOM 1642 O VAL B 237 5.510 -3.003 -15.146 1.00 52.45 O ATOM 1643 CB VAL B 237 7.214 -2.032 -17.581 1.00 25.31 C ATOM 1644 CG1 VAL B 237 6.737 -2.836 -18.776 1.00 70.52 C ATOM 1645 CG2 VAL B 237 8.244 -0.993 -18.003 1.00 75.13 C ATOM 0 H VAL B 237 6.781 -0.949 -14.942 1.00 13.25 H new ATOM 0 HA VAL B 237 5.451 -0.806 -17.560 1.00 32.45 H new ATOM 0 HB VAL B 237 7.701 -2.716 -16.886 1.00 25.31 H new ATOM 0 HG11 VAL B 237 7.595 -3.278 -19.283 1.00 70.52 H new ATOM 0 HG12 VAL B 237 6.067 -3.627 -18.438 1.00 70.52 H new ATOM 0 HG13 VAL B 237 6.206 -2.181 -19.466 1.00 70.52 H new ATOM 0 HG21 VAL B 237 9.064 -1.485 -18.526 1.00 75.13 H new ATOM 0 HG22 VAL B 237 7.776 -0.265 -18.665 1.00 75.13 H new ATOM 0 HG23 VAL B 237 8.631 -0.484 -17.120 1.00 75.13 H new ATOM 1655 N ILE B 238 4.059 -2.753 -16.819 1.00 71.13 N ATOM 1656 CA ILE B 238 3.133 -3.737 -16.327 1.00 60.12 C ATOM 1657 C ILE B 238 3.053 -4.878 -17.302 1.00 11.15 C ATOM 1658 O ILE B 238 2.773 -4.675 -18.473 1.00 10.31 O ATOM 1659 CB ILE B 238 1.719 -3.140 -16.181 1.00 22.43 C ATOM 1660 CG1 ILE B 238 1.741 -1.931 -15.254 1.00 21.42 C ATOM 1661 CG2 ILE B 238 0.737 -4.199 -15.654 1.00 11.45 C ATOM 1662 CD1 ILE B 238 0.415 -1.240 -15.160 1.00 11.24 C ATOM 0 H ILE B 238 3.771 -2.311 -17.692 1.00 71.13 H new ATOM 0 HA ILE B 238 3.487 -4.076 -15.354 1.00 60.12 H new ATOM 0 HB ILE B 238 1.382 -2.815 -17.166 1.00 22.43 H new ATOM 0 HG12 ILE B 238 2.050 -2.249 -14.258 1.00 21.42 H new ATOM 0 HG13 ILE B 238 2.489 -1.222 -15.608 1.00 21.42 H new ATOM 0 HG21 ILE B 238 -0.256 -3.759 -15.558 1.00 11.45 H new ATOM 0 HG22 ILE B 238 0.697 -5.036 -16.351 1.00 11.45 H new ATOM 0 HG23 ILE B 238 1.073 -4.554 -14.680 1.00 11.45 H new ATOM 0 HD11 ILE B 238 0.496 -0.388 -14.485 1.00 11.24 H new ATOM 0 HD12 ILE B 238 0.115 -0.893 -16.149 1.00 11.24 H new ATOM 0 HD13 ILE B 238 -0.332 -1.936 -14.778 1.00 11.24 H new ATOM 1674 N PHE B 239 3.323 -6.041 -16.812 1.00 14.34 N ATOM 1675 CA PHE B 239 3.271 -7.259 -17.558 1.00 24.34 C ATOM 1676 C PHE B 239 2.050 -8.039 -17.149 1.00 22.14 C ATOM 1677 O PHE B 239 1.984 -8.528 -16.010 1.00 64.50 O ATOM 1678 CB PHE B 239 4.482 -8.106 -17.229 1.00 71.12 C ATOM 1679 CG PHE B 239 5.778 -7.556 -17.686 1.00 73.41 C ATOM 1680 CD1 PHE B 239 6.370 -6.479 -17.041 1.00 53.11 C ATOM 1681 CD2 PHE B 239 6.409 -8.116 -18.760 1.00 44.03 C ATOM 1682 CE1 PHE B 239 7.566 -5.978 -17.473 1.00 54.32 C ATOM 1683 CE2 PHE B 239 7.600 -7.629 -19.202 1.00 22.01 C ATOM 1684 CZ PHE B 239 8.189 -6.549 -18.551 1.00 15.12 C ATOM 0 H PHE B 239 3.598 -6.177 -15.839 1.00 14.34 H new ATOM 0 HA PHE B 239 3.244 -7.022 -18.622 1.00 24.34 H new ATOM 0 HB2 PHE B 239 4.525 -8.246 -16.149 1.00 71.12 H new ATOM 0 HB3 PHE B 239 4.347 -9.092 -17.673 1.00 71.12 H new ATOM 0 HD1 PHE B 239 5.880 -6.032 -16.189 1.00 53.11 H new ATOM 0 HD2 PHE B 239 5.957 -8.957 -19.265 1.00 44.03 H new ATOM 0 HE1 PHE B 239 8.017 -5.137 -16.967 1.00 54.32 H new ATOM 0 HE2 PHE B 239 8.087 -8.079 -20.055 1.00 22.01 H new ATOM 0 HZ PHE B 239 9.136 -6.162 -18.895 1.00 15.12 H new ATOM 1694 N ILE B 240 1.083 -8.148 -18.014 1.00 30.32 N ATOM 1695 CA ILE B 240 -0.072 -8.946 -17.681 1.00 73.34 C ATOM 1696 C ILE B 240 0.192 -10.320 -18.203 1.00 25.01 C ATOM 1697 O ILE B 240 0.381 -10.497 -19.409 1.00 44.30 O ATOM 1698 CB ILE B 240 -1.368 -8.425 -18.321 1.00 22.31 C ATOM 1699 CG1 ILE B 240 -1.441 -6.917 -18.166 1.00 62.42 C ATOM 1700 CG2 ILE B 240 -2.579 -9.099 -17.673 1.00 53.11 C ATOM 1701 CD1 ILE B 240 -2.758 -6.304 -18.571 1.00 44.42 C ATOM 0 H ILE B 240 1.064 -7.708 -18.934 1.00 30.32 H new ATOM 0 HA ILE B 240 -0.217 -8.916 -16.601 1.00 73.34 H new ATOM 0 HB ILE B 240 -1.372 -8.666 -19.384 1.00 22.31 H new ATOM 0 HG12 ILE B 240 -1.242 -6.663 -17.125 1.00 62.42 H new ATOM 0 HG13 ILE B 240 -0.647 -6.466 -18.761 1.00 62.42 H new ATOM 0 HG21 ILE B 240 -3.493 -8.724 -18.133 1.00 53.11 H new ATOM 0 HG22 ILE B 240 -2.516 -10.177 -17.818 1.00 53.11 H new ATOM 0 HG23 ILE B 240 -2.592 -8.877 -16.606 1.00 53.11 H new ATOM 0 HD11 ILE B 240 -2.717 -5.224 -18.426 1.00 44.42 H new ATOM 0 HD12 ILE B 240 -2.953 -6.522 -19.621 1.00 44.42 H new ATOM 0 HD13 ILE B 240 -3.557 -6.722 -17.959 1.00 44.42 H new ATOM 1713 N THR B 241 0.235 -11.283 -17.337 1.00 61.44 N ATOM 1714 CA THR B 241 0.554 -12.594 -17.761 1.00 21.11 C ATOM 1715 C THR B 241 -0.615 -13.532 -17.512 1.00 65.32 C ATOM 1716 O THR B 241 -1.531 -13.201 -16.766 1.00 4.41 O ATOM 1717 CB THR B 241 1.841 -13.131 -17.091 1.00 63.31 C ATOM 1718 OG1 THR B 241 1.638 -13.290 -15.678 1.00 72.42 O ATOM 1719 CG2 THR B 241 3.008 -12.175 -17.294 1.00 60.24 C ATOM 0 H THR B 241 0.053 -11.179 -16.339 1.00 61.44 H new ATOM 0 HA THR B 241 0.749 -12.549 -18.832 1.00 21.11 H new ATOM 0 HB THR B 241 2.070 -14.091 -17.554 1.00 63.31 H new ATOM 0 HG1 THR B 241 0.944 -12.668 -15.375 1.00 72.42 H new ATOM 0 HG21 THR B 241 3.898 -12.580 -16.812 1.00 60.24 H new ATOM 0 HG22 THR B 241 3.197 -12.053 -18.361 1.00 60.24 H new ATOM 0 HG23 THR B 241 2.766 -11.207 -16.855 1.00 60.24 H new ATOM 1727 N LYS B 242 -0.562 -14.709 -18.107 1.00 21.22 N ATOM 1728 CA LYS B 242 -1.666 -15.676 -18.024 1.00 21.03 C ATOM 1729 C LYS B 242 -1.884 -16.311 -16.625 1.00 62.11 C ATOM 1730 O LYS B 242 -2.801 -17.112 -16.441 1.00 41.14 O ATOM 1731 CB LYS B 242 -1.616 -16.714 -19.186 1.00 34.42 C ATOM 1732 CG LYS B 242 -0.310 -17.493 -19.380 1.00 44.33 C ATOM 1733 CD LYS B 242 -0.014 -18.435 -18.233 1.00 42.31 C ATOM 1734 CE LYS B 242 1.239 -19.259 -18.512 1.00 11.53 C ATOM 1735 NZ LYS B 242 1.556 -20.198 -17.414 1.00 15.03 N ATOM 0 H LYS B 242 0.234 -15.029 -18.658 1.00 21.22 H new ATOM 0 HA LYS B 242 -2.573 -15.087 -18.165 1.00 21.03 H new ATOM 0 HB2 LYS B 242 -2.418 -17.435 -19.028 1.00 34.42 H new ATOM 0 HB3 LYS B 242 -1.837 -16.190 -20.116 1.00 34.42 H new ATOM 0 HG2 LYS B 242 -0.367 -18.063 -20.307 1.00 44.33 H new ATOM 0 HG3 LYS B 242 0.515 -16.789 -19.488 1.00 44.33 H new ATOM 0 HD2 LYS B 242 0.119 -17.864 -17.314 1.00 42.31 H new ATOM 0 HD3 LYS B 242 -0.863 -19.100 -18.075 1.00 42.31 H new ATOM 0 HE2 LYS B 242 1.103 -19.819 -19.437 1.00 11.53 H new ATOM 0 HE3 LYS B 242 2.084 -18.588 -18.667 1.00 11.53 H new ATOM 0 HZ1 LYS B 242 2.415 -20.734 -17.652 1.00 15.03 H new ATOM 0 HZ2 LYS B 242 1.713 -19.664 -16.535 1.00 15.03 H new ATOM 0 HZ3 LYS B 242 0.763 -20.857 -17.281 1.00 15.03 H new ATOM 1749 N ARG B 243 -1.040 -15.960 -15.671 1.00 1.02 N ATOM 1750 CA ARG B 243 -1.202 -16.399 -14.279 1.00 40.11 C ATOM 1751 C ARG B 243 -0.986 -15.273 -13.284 1.00 22.54 C ATOM 1752 O ARG B 243 -0.817 -15.527 -12.103 1.00 15.22 O ATOM 1753 CB ARG B 243 -0.296 -17.583 -13.910 1.00 3.22 C ATOM 1754 CG ARG B 243 -0.746 -18.924 -14.439 1.00 62.43 C ATOM 1755 CD ARG B 243 0.157 -20.026 -13.920 1.00 63.32 C ATOM 1756 NE ARG B 243 -0.338 -21.360 -14.267 1.00 24.33 N ATOM 1757 CZ ARG B 243 0.184 -22.511 -13.828 1.00 14.45 C ATOM 1758 NH1 ARG B 243 1.292 -22.505 -13.080 1.00 75.31 N ATOM 1759 NH2 ARG B 243 -0.404 -23.664 -14.138 1.00 42.42 N ATOM 0 H ARG B 243 -0.225 -15.367 -15.828 1.00 1.02 H new ATOM 0 HA ARG B 243 -2.238 -16.731 -14.215 1.00 40.11 H new ATOM 0 HB2 ARG B 243 0.708 -17.382 -14.282 1.00 3.22 H new ATOM 0 HB3 ARG B 243 -0.227 -17.643 -12.824 1.00 3.22 H new ATOM 0 HG2 ARG B 243 -1.775 -19.115 -14.136 1.00 62.43 H new ATOM 0 HG3 ARG B 243 -0.731 -18.916 -15.529 1.00 62.43 H new ATOM 0 HD2 ARG B 243 1.159 -19.895 -14.329 1.00 63.32 H new ATOM 0 HD3 ARG B 243 0.242 -19.943 -12.836 1.00 63.32 H new ATOM 0 HE ARG B 243 -1.143 -21.416 -14.891 1.00 24.33 H new ATOM 0 HH11 ARG B 243 1.742 -21.621 -12.842 1.00 75.31 H new ATOM 0 HH12 ARG B 243 1.687 -23.384 -12.747 1.00 75.31 H new ATOM 0 HH21 ARG B 243 -1.250 -23.668 -14.708 1.00 42.42 H new ATOM 0 HH22 ARG B 243 -0.009 -24.544 -13.805 1.00 42.42 H new ATOM 1773 N GLY B 244 -1.007 -14.042 -13.732 1.00 75.53 N ATOM 1774 CA GLY B 244 -0.841 -12.961 -12.791 1.00 61.21 C ATOM 1775 C GLY B 244 -0.208 -11.759 -13.400 1.00 30.14 C ATOM 1776 O GLY B 244 -0.164 -11.629 -14.622 1.00 60.44 O ATOM 0 H GLY B 244 -1.133 -13.768 -14.706 1.00 75.53 H new ATOM 0 HA2 GLY B 244 -1.814 -12.687 -12.384 1.00 61.21 H new ATOM 0 HA3 GLY B 244 -0.231 -13.303 -11.955 1.00 61.21 H new ATOM 1780 N LEU B 245 0.312 -10.882 -12.577 1.00 40.03 N ATOM 1781 CA LEU B 245 0.893 -9.663 -13.081 1.00 44.30 C ATOM 1782 C LEU B 245 2.293 -9.463 -12.579 1.00 73.13 C ATOM 1783 O LEU B 245 2.634 -9.827 -11.447 1.00 63.03 O ATOM 1784 CB LEU B 245 0.048 -8.394 -12.770 1.00 1.15 C ATOM 1785 CG LEU B 245 -1.356 -8.269 -13.401 1.00 31.14 C ATOM 1786 CD1 LEU B 245 -2.363 -9.224 -12.772 1.00 73.12 C ATOM 1787 CD2 LEU B 245 -1.848 -6.834 -13.332 1.00 54.03 C ATOM 0 H LEU B 245 0.345 -10.988 -11.563 1.00 40.03 H new ATOM 0 HA LEU B 245 0.909 -9.789 -14.164 1.00 44.30 H new ATOM 0 HB2 LEU B 245 -0.068 -8.331 -11.688 1.00 1.15 H new ATOM 0 HB3 LEU B 245 0.629 -7.525 -13.080 1.00 1.15 H new ATOM 0 HG LEU B 245 -1.264 -8.556 -14.449 1.00 31.14 H new ATOM 0 HD11 LEU B 245 -3.334 -9.096 -13.251 1.00 73.12 H new ATOM 0 HD12 LEU B 245 -2.024 -10.251 -12.907 1.00 73.12 H new ATOM 0 HD13 LEU B 245 -2.453 -9.009 -11.707 1.00 73.12 H new ATOM 0 HD21 LEU B 245 -2.839 -6.767 -13.782 1.00 54.03 H new ATOM 0 HD22 LEU B 245 -1.900 -6.517 -12.290 1.00 54.03 H new ATOM 0 HD23 LEU B 245 -1.159 -6.187 -13.874 1.00 54.03 H new ATOM 1799 N LYS B 246 3.088 -8.916 -13.426 1.00 75.32 N ATOM 1800 CA LYS B 246 4.426 -8.531 -13.119 1.00 70.32 C ATOM 1801 C LYS B 246 4.555 -7.038 -13.323 1.00 43.02 C ATOM 1802 O LYS B 246 4.313 -6.538 -14.401 1.00 52.30 O ATOM 1803 CB LYS B 246 5.432 -9.293 -14.008 1.00 5.14 C ATOM 1804 CG LYS B 246 6.793 -8.615 -14.112 1.00 23.40 C ATOM 1805 CD LYS B 246 7.705 -9.300 -15.107 1.00 22.13 C ATOM 1806 CE LYS B 246 8.914 -8.435 -15.375 1.00 0.11 C ATOM 1807 NZ LYS B 246 9.901 -9.092 -16.249 1.00 53.33 N ATOM 0 H LYS B 246 2.819 -8.715 -14.389 1.00 75.32 H new ATOM 0 HA LYS B 246 4.652 -8.781 -12.082 1.00 70.32 H new ATOM 0 HB2 LYS B 246 5.566 -10.299 -13.610 1.00 5.14 H new ATOM 0 HB3 LYS B 246 5.012 -9.400 -15.008 1.00 5.14 H new ATOM 0 HG2 LYS B 246 6.656 -7.574 -14.406 1.00 23.40 H new ATOM 0 HG3 LYS B 246 7.269 -8.609 -13.131 1.00 23.40 H new ATOM 0 HD2 LYS B 246 8.019 -10.269 -14.719 1.00 22.13 H new ATOM 0 HD3 LYS B 246 7.168 -9.488 -16.037 1.00 22.13 H new ATOM 0 HE2 LYS B 246 8.592 -7.501 -15.835 1.00 0.11 H new ATOM 0 HE3 LYS B 246 9.388 -8.177 -14.428 1.00 0.11 H new ATOM 0 HZ1 LYS B 246 10.709 -8.455 -16.400 1.00 53.33 H new ATOM 0 HZ2 LYS B 246 10.231 -9.970 -15.801 1.00 53.33 H new ATOM 0 HZ3 LYS B 246 9.460 -9.315 -17.164 1.00 53.33 H new ATOM 1821 N VAL B 247 4.907 -6.345 -12.306 1.00 51.11 N ATOM 1822 CA VAL B 247 5.090 -4.901 -12.406 1.00 64.54 C ATOM 1823 C VAL B 247 6.522 -4.527 -12.142 1.00 10.41 C ATOM 1824 O VAL B 247 7.171 -5.076 -11.246 1.00 71.03 O ATOM 1825 CB VAL B 247 4.145 -4.110 -11.477 1.00 1.13 C ATOM 1826 CG1 VAL B 247 2.703 -4.314 -11.894 1.00 22.12 C ATOM 1827 CG2 VAL B 247 4.342 -4.523 -10.035 1.00 12.10 C ATOM 0 H VAL B 247 5.081 -6.733 -11.379 1.00 51.11 H new ATOM 0 HA VAL B 247 4.831 -4.625 -13.428 1.00 64.54 H new ATOM 0 HB VAL B 247 4.386 -3.051 -11.564 1.00 1.13 H new ATOM 0 HG11 VAL B 247 2.049 -3.750 -11.229 1.00 22.12 H new ATOM 0 HG12 VAL B 247 2.568 -3.966 -12.918 1.00 22.12 H new ATOM 0 HG13 VAL B 247 2.454 -5.373 -11.835 1.00 22.12 H new ATOM 0 HG21 VAL B 247 3.666 -3.953 -9.398 1.00 12.10 H new ATOM 0 HG22 VAL B 247 4.130 -5.587 -9.929 1.00 12.10 H new ATOM 0 HG23 VAL B 247 5.372 -4.327 -9.738 1.00 12.10 H new ATOM 1837 N CYS B 248 7.040 -3.653 -12.927 1.00 45.15 N ATOM 1838 CA CYS B 248 8.392 -3.251 -12.755 1.00 32.14 C ATOM 1839 C CYS B 248 8.495 -1.764 -12.888 1.00 63.14 C ATOM 1840 O CYS B 248 8.308 -1.227 -13.972 1.00 51.03 O ATOM 1841 CB CYS B 248 9.285 -3.924 -13.792 1.00 11.24 C ATOM 1842 SG CYS B 248 11.057 -3.699 -13.473 1.00 24.25 S ATOM 0 H CYS B 248 6.548 -3.200 -13.697 1.00 45.15 H new ATOM 0 HA CYS B 248 8.724 -3.552 -11.761 1.00 32.14 H new ATOM 0 HB2 CYS B 248 9.060 -4.990 -13.817 1.00 11.24 H new ATOM 0 HB3 CYS B 248 9.048 -3.525 -14.778 1.00 11.24 H new ATOM 1847 N CYS B 249 8.738 -1.079 -11.804 1.00 73.11 N ATOM 1848 CA CYS B 249 8.926 0.333 -11.903 1.00 71.13 C ATOM 1849 C CYS B 249 10.410 0.663 -11.984 1.00 61.44 C ATOM 1850 O CYS B 249 11.223 0.169 -11.196 1.00 25.22 O ATOM 1851 CB CYS B 249 8.224 1.120 -10.787 1.00 23.12 C ATOM 1852 SG CYS B 249 6.375 1.114 -10.780 1.00 51.11 S ATOM 0 H CYS B 249 8.808 -1.469 -10.864 1.00 73.11 H new ATOM 0 HA CYS B 249 8.446 0.656 -12.827 1.00 71.13 H new ATOM 0 HB2 CYS B 249 8.566 0.726 -9.830 1.00 23.12 H new ATOM 0 HB3 CYS B 249 8.558 2.156 -10.843 1.00 23.12 H new ATOM 1857 N ASP B 250 10.724 1.515 -12.909 1.00 2.42 N ATOM 1858 CA ASP B 250 12.061 1.903 -13.249 1.00 1.51 C ATOM 1859 C ASP B 250 12.308 3.384 -13.007 1.00 34.35 C ATOM 1860 O ASP B 250 11.733 4.232 -13.651 1.00 12.44 O ATOM 1861 CB ASP B 250 12.337 1.595 -14.721 1.00 72.44 C ATOM 1862 CG ASP B 250 13.612 2.250 -15.214 1.00 60.05 C ATOM 1863 OD1 ASP B 250 14.710 1.852 -14.772 1.00 42.12 O ATOM 1864 OD2 ASP B 250 13.529 3.203 -16.026 1.00 21.12 O ATOM 0 H ASP B 250 10.019 1.984 -13.478 1.00 2.42 H new ATOM 0 HA ASP B 250 12.731 1.333 -12.606 1.00 1.51 H new ATOM 0 HB2 ASP B 250 12.409 0.516 -14.857 1.00 72.44 H new ATOM 0 HB3 ASP B 250 11.497 1.938 -15.326 1.00 72.44 H new ATOM 1869 N PRO B 251 13.160 3.698 -12.073 1.00 12.32 N ATOM 1870 CA PRO B 251 13.586 5.067 -11.793 1.00 52.10 C ATOM 1871 C PRO B 251 14.750 5.475 -12.723 1.00 51.23 C ATOM 1872 O PRO B 251 15.627 6.259 -12.330 1.00 60.23 O ATOM 1873 CB PRO B 251 14.078 4.947 -10.362 1.00 72.11 C ATOM 1874 CG PRO B 251 14.666 3.598 -10.317 1.00 23.31 C ATOM 1875 CD PRO B 251 13.791 2.744 -11.177 1.00 70.30 C ATOM 0 HA PRO B 251 12.806 5.814 -11.941 1.00 52.10 H new ATOM 0 HB2 PRO B 251 14.814 5.715 -10.124 1.00 72.11 H new ATOM 0 HB3 PRO B 251 13.263 5.054 -9.646 1.00 72.11 H new ATOM 0 HG2 PRO B 251 15.691 3.606 -10.688 1.00 23.31 H new ATOM 0 HG3 PRO B 251 14.699 3.220 -9.295 1.00 23.31 H new ATOM 0 HD2 PRO B 251 14.370 2.001 -11.725 1.00 70.30 H new ATOM 0 HD3 PRO B 251 13.054 2.201 -10.585 1.00 70.30 H new