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 22 SER OG : rot 170:sc= 1.05 USER MOD Set 1.2: A 25 LYS NZ :NH3+ -158:sc= 2.28 (180deg=1.12) USER MOD Single : A 10 THR OG1 : rot 34:sc= 0.282 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 17 GLN : amide:sc= 0.284 K(o=0.28,f=-4!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 25:sc= 0.163 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 41:sc= 0.446 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -30: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 210 THR OG1 : rot 26:sc= 0.231 USER MOD Single : B 213 SER OG : rot 180:sc= 0 USER MOD Single : B 215 THR OG1 : rot 38:sc= 0.179 USER MOD Single : B 216 THR OG1 : rot -178:sc= -0.599 USER MOD Single : B 217 GLN : amide:sc= 0.91 K(o=0.91,f=-6.2!) USER MOD Single : B 222 SER OG : rot 180:sc= 0.00161 USER MOD Single : B 225 LYS NZ :NH3+ 148:sc= 1.08 (180deg=0.617) USER MOD Single : B 226 THR OG1 : rot 180:sc= 0 USER MOD Single : B 227 TYR OH : rot 45:sc= 0.993 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 50:sc= 0.229 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -43:sc= 1.27 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 -9.536 -10.552 -6.514 1.00 2.44 N ATOM 138 CA THR A 10 -8.357 -10.803 -5.755 1.00 23.21 C ATOM 139 C THR A 10 -7.388 -9.661 -5.934 1.00 13.14 C ATOM 140 O THR A 10 -7.134 -9.220 -7.065 1.00 35.44 O ATOM 141 CB THR A 10 -7.708 -12.111 -6.226 1.00 40.32 C ATOM 142 OG1 THR A 10 -8.720 -13.130 -6.272 1.00 14.04 O ATOM 143 CG2 THR A 10 -6.610 -12.553 -5.258 1.00 64.52 C ATOM 0 HA THR A 10 -8.619 -10.892 -4.701 1.00 23.21 H new ATOM 0 HB THR A 10 -7.265 -11.953 -7.209 1.00 40.32 H new ATOM 0 HG1 THR A 10 -9.576 -12.729 -6.531 1.00 14.04 H new ATOM 0 HG21 THR A 10 -6.165 -13.482 -5.613 1.00 64.52 H new ATOM 0 HG22 THR A 10 -5.842 -11.781 -5.202 1.00 64.52 H new ATOM 0 HG23 THR A 10 -7.039 -12.711 -4.269 1.00 64.52 H new ATOM 151 N CYS A 11 -6.856 -9.177 -4.855 1.00 34.33 N ATOM 152 CA CYS A 11 -5.918 -8.127 -4.945 1.00 11.42 C ATOM 153 C CYS A 11 -4.621 -8.607 -4.333 1.00 33.12 C ATOM 154 O CYS A 11 -4.624 -9.357 -3.359 1.00 63.30 O ATOM 155 CB CYS A 11 -6.394 -6.866 -4.196 1.00 50.44 C ATOM 156 SG CYS A 11 -8.170 -6.370 -4.402 1.00 12.13 S ATOM 0 H CYS A 11 -7.061 -9.498 -3.909 1.00 34.33 H new ATOM 0 HA CYS A 11 -5.791 -7.859 -5.994 1.00 11.42 H new ATOM 0 HB2 CYS A 11 -6.207 -7.015 -3.133 1.00 50.44 H new ATOM 0 HB3 CYS A 11 -5.772 -6.030 -4.515 1.00 50.44 H new ATOM 161 N VAL A 12 -3.539 -8.189 -4.904 1.00 64.43 N ATOM 162 CA VAL A 12 -2.214 -8.532 -4.458 1.00 3.22 C ATOM 163 C VAL A 12 -1.354 -7.288 -4.461 1.00 11.11 C ATOM 164 O VAL A 12 -1.464 -6.456 -5.357 1.00 34.43 O ATOM 165 CB VAL A 12 -1.580 -9.685 -5.321 1.00 35.35 C ATOM 166 CG1 VAL A 12 -2.206 -11.028 -4.967 1.00 71.25 C ATOM 167 CG2 VAL A 12 -1.813 -9.426 -6.801 1.00 11.51 C ATOM 0 H VAL A 12 -3.545 -7.579 -5.721 1.00 64.43 H new ATOM 0 HA VAL A 12 -2.274 -8.920 -3.441 1.00 3.22 H new ATOM 0 HB VAL A 12 -0.511 -9.709 -5.108 1.00 35.35 H new ATOM 0 HG11 VAL A 12 -1.754 -11.812 -5.575 1.00 71.25 H new ATOM 0 HG12 VAL A 12 -2.035 -11.243 -3.912 1.00 71.25 H new ATOM 0 HG13 VAL A 12 -3.278 -10.992 -5.160 1.00 71.25 H new ATOM 0 HG21 VAL A 12 -1.369 -10.232 -7.386 1.00 11.51 H new ATOM 0 HG22 VAL A 12 -2.884 -9.382 -6.998 1.00 11.51 H new ATOM 0 HG23 VAL A 12 -1.353 -8.478 -7.081 1.00 11.51 H new ATOM 177 N SER A 13 -0.543 -7.128 -3.460 1.00 71.04 N ATOM 178 CA SER A 13 0.248 -5.938 -3.346 1.00 54.12 C ATOM 179 C SER A 13 1.676 -6.225 -2.935 1.00 15.23 C ATOM 180 O SER A 13 1.925 -7.042 -2.036 1.00 14.21 O ATOM 181 CB SER A 13 -0.405 -4.976 -2.348 1.00 40.15 C ATOM 182 OG SER A 13 -0.690 -5.618 -1.110 1.00 43.11 O ATOM 0 H SER A 13 -0.411 -7.806 -2.709 1.00 71.04 H new ATOM 0 HA SER A 13 0.288 -5.479 -4.334 1.00 54.12 H new ATOM 0 HB2 SER A 13 0.256 -4.127 -2.174 1.00 40.15 H new ATOM 0 HB3 SER A 13 -1.327 -4.580 -2.774 1.00 40.15 H new ATOM 0 HG SER A 13 -1.104 -4.976 -0.496 1.00 43.11 H new ATOM 188 N LEU A 14 2.601 -5.593 -3.610 1.00 52.32 N ATOM 189 CA LEU A 14 4.003 -5.629 -3.208 1.00 31.35 C ATOM 190 C LEU A 14 4.528 -4.257 -3.009 1.00 74.24 C ATOM 191 O LEU A 14 4.313 -3.359 -3.833 1.00 24.10 O ATOM 192 CB LEU A 14 4.925 -6.411 -4.149 1.00 61.31 C ATOM 193 CG LEU A 14 4.898 -7.945 -4.047 1.00 23.21 C ATOM 194 CD1 LEU A 14 5.826 -8.553 -5.070 1.00 12.31 C ATOM 195 CD2 LEU A 14 5.302 -8.398 -2.648 1.00 23.42 C ATOM 0 H LEU A 14 2.417 -5.041 -4.448 1.00 52.32 H new ATOM 0 HA LEU A 14 4.009 -6.177 -2.266 1.00 31.35 H new ATOM 0 HB2 LEU A 14 4.673 -6.136 -5.173 1.00 61.31 H new ATOM 0 HB3 LEU A 14 5.948 -6.079 -3.972 1.00 61.31 H new ATOM 0 HG LEU A 14 3.880 -8.283 -4.243 1.00 23.21 H new ATOM 0 HD11 LEU A 14 5.797 -9.639 -4.987 1.00 12.31 H new ATOM 0 HD12 LEU A 14 5.509 -8.257 -6.070 1.00 12.31 H new ATOM 0 HD13 LEU A 14 6.843 -8.202 -4.893 1.00 12.31 H new ATOM 0 HD21 LEU A 14 5.277 -9.486 -2.596 1.00 23.42 H new ATOM 0 HD22 LEU A 14 6.311 -8.048 -2.429 1.00 23.42 H new ATOM 0 HD23 LEU A 14 4.608 -7.984 -1.917 1.00 23.42 H new ATOM 207 N THR A 15 5.209 -4.088 -1.939 1.00 1.34 N ATOM 208 CA THR A 15 5.766 -2.841 -1.607 1.00 61.31 C ATOM 209 C THR A 15 7.231 -2.904 -1.998 1.00 11.22 C ATOM 210 O THR A 15 7.994 -3.671 -1.424 1.00 25.44 O ATOM 211 CB THR A 15 5.631 -2.594 -0.100 1.00 20.31 C ATOM 212 OG1 THR A 15 4.304 -2.988 0.327 1.00 22.23 O ATOM 213 CG2 THR A 15 5.781 -1.129 0.172 1.00 45.11 C ATOM 0 H THR A 15 5.396 -4.827 -1.261 1.00 1.34 H new ATOM 0 HA THR A 15 5.257 -2.028 -2.125 1.00 61.31 H new ATOM 0 HB THR A 15 6.393 -3.165 0.430 1.00 20.31 H new ATOM 0 HG1 THR A 15 4.211 -2.834 1.290 1.00 22.23 H new ATOM 0 HG21 THR A 15 5.686 -0.946 1.242 1.00 45.11 H new ATOM 0 HG22 THR A 15 6.761 -0.794 -0.168 1.00 45.11 H new ATOM 0 HG23 THR A 15 5.005 -0.579 -0.360 1.00 45.11 H new ATOM 221 N THR A 16 7.609 -2.143 -2.973 1.00 24.34 N ATOM 222 CA THR A 16 8.920 -2.228 -3.504 1.00 25.32 C ATOM 223 C THR A 16 9.427 -0.842 -3.893 1.00 71.53 C ATOM 224 O THR A 16 8.674 -0.036 -4.458 1.00 60.31 O ATOM 225 CB THR A 16 8.910 -3.168 -4.746 1.00 11.22 C ATOM 226 OG1 THR A 16 10.226 -3.331 -5.273 1.00 43.41 O ATOM 227 CG2 THR A 16 7.972 -2.634 -5.844 1.00 55.32 C ATOM 0 H THR A 16 7.013 -1.446 -3.420 1.00 24.34 H new ATOM 0 HA THR A 16 9.590 -2.636 -2.747 1.00 25.32 H new ATOM 0 HB THR A 16 8.539 -4.138 -4.415 1.00 11.22 H new ATOM 0 HG1 THR A 16 10.195 -3.926 -6.051 1.00 43.41 H new ATOM 0 HG21 THR A 16 7.987 -3.312 -6.697 1.00 55.32 H new ATOM 0 HG22 THR A 16 6.957 -2.565 -5.453 1.00 55.32 H new ATOM 0 HG23 THR A 16 8.307 -1.646 -6.160 1.00 55.32 H new ATOM 235 N GLN A 17 10.697 -0.561 -3.548 1.00 75.24 N ATOM 236 CA GLN A 17 11.372 0.689 -3.920 1.00 13.21 C ATOM 237 C GLN A 17 10.658 1.917 -3.281 1.00 40.55 C ATOM 238 O GLN A 17 9.666 1.774 -2.560 1.00 14.14 O ATOM 239 CB GLN A 17 11.405 0.775 -5.490 1.00 4.24 C ATOM 240 CG GLN A 17 12.147 1.957 -6.095 1.00 64.00 C ATOM 241 CD GLN A 17 13.590 1.989 -5.685 1.00 45.54 C ATOM 242 OE1 GLN A 17 13.941 2.593 -4.674 1.00 11.23 O ATOM 243 NE2 GLN A 17 14.429 1.348 -6.449 1.00 33.30 N ATOM 0 H GLN A 17 11.281 -1.196 -3.004 1.00 75.24 H new ATOM 0 HA GLN A 17 12.393 0.698 -3.539 1.00 13.21 H new ATOM 0 HB2 GLN A 17 11.856 -0.141 -5.871 1.00 4.24 H new ATOM 0 HB3 GLN A 17 10.377 0.798 -5.851 1.00 4.24 H new ATOM 0 HG2 GLN A 17 12.081 1.908 -7.182 1.00 64.00 H new ATOM 0 HG3 GLN A 17 11.663 2.884 -5.788 1.00 64.00 H new ATOM 0 HE21 GLN A 17 14.093 0.860 -7.279 1.00 33.30 H new ATOM 0 HE22 GLN A 17 15.422 1.334 -6.217 1.00 33.30 H new ATOM 252 N ARG A 18 11.198 3.090 -3.473 1.00 63.41 N ATOM 253 CA ARG A 18 10.493 4.275 -3.107 1.00 4.12 C ATOM 254 C ARG A 18 10.377 5.184 -4.307 1.00 2.41 C ATOM 255 O ARG A 18 11.248 6.012 -4.589 1.00 24.04 O ATOM 256 CB ARG A 18 11.039 4.988 -1.853 1.00 1.44 C ATOM 257 CG ARG A 18 12.480 5.455 -1.913 1.00 63.14 C ATOM 258 CD ARG A 18 12.828 6.203 -0.646 1.00 42.11 C ATOM 259 NE ARG A 18 14.183 6.737 -0.664 1.00 52.52 N ATOM 260 CZ ARG A 18 14.698 7.522 0.282 1.00 11.41 C ATOM 261 NH1 ARG A 18 13.960 7.880 1.331 1.00 42.45 N ATOM 262 NH2 ARG A 18 15.943 7.954 0.172 1.00 10.53 N ATOM 0 H ARG A 18 12.121 3.244 -3.880 1.00 63.41 H new ATOM 0 HA ARG A 18 9.493 3.972 -2.798 1.00 4.12 H new ATOM 0 HB2 ARG A 18 10.408 5.854 -1.651 1.00 1.44 H new ATOM 0 HB3 ARG A 18 10.935 4.312 -1.004 1.00 1.44 H new ATOM 0 HG2 ARG A 18 13.144 4.600 -2.036 1.00 63.14 H new ATOM 0 HG3 ARG A 18 12.627 6.100 -2.779 1.00 63.14 H new ATOM 0 HD2 ARG A 18 12.121 7.021 -0.506 1.00 42.11 H new ATOM 0 HD3 ARG A 18 12.716 5.535 0.208 1.00 42.11 H new ATOM 0 HE ARG A 18 14.779 6.493 -1.455 1.00 52.52 H new ATOM 0 HH11 ARG A 18 12.997 7.553 1.413 1.00 42.45 H new ATOM 0 HH12 ARG A 18 14.358 8.481 2.053 1.00 42.45 H new ATOM 0 HH21 ARG A 18 16.506 7.686 -0.635 1.00 10.53 H new ATOM 0 HH22 ARG A 18 16.340 8.555 0.894 1.00 10.53 H new ATOM 276 N LEU A 19 9.345 4.961 -5.048 1.00 71.31 N ATOM 277 CA LEU A 19 9.074 5.717 -6.231 1.00 2.21 C ATOM 278 C LEU A 19 8.090 6.809 -5.892 1.00 41.40 C ATOM 279 O LEU A 19 7.015 6.525 -5.371 1.00 60.44 O ATOM 280 CB LEU A 19 8.535 4.826 -7.402 1.00 34.15 C ATOM 281 CG LEU A 19 7.173 4.075 -7.226 1.00 53.23 C ATOM 282 CD1 LEU A 19 6.754 3.460 -8.544 1.00 2.22 C ATOM 283 CD2 LEU A 19 7.252 2.972 -6.172 1.00 3.51 C ATOM 0 H LEU A 19 8.653 4.238 -4.849 1.00 71.31 H new ATOM 0 HA LEU A 19 10.010 6.150 -6.585 1.00 2.21 H new ATOM 0 HB2 LEU A 19 8.448 5.461 -8.284 1.00 34.15 H new ATOM 0 HB3 LEU A 19 9.296 4.078 -7.622 1.00 34.15 H new ATOM 0 HG LEU A 19 6.441 4.811 -6.893 1.00 53.23 H new ATOM 0 HD11 LEU A 19 5.805 2.938 -8.417 1.00 2.22 H new ATOM 0 HD12 LEU A 19 6.639 4.245 -9.292 1.00 2.22 H new ATOM 0 HD13 LEU A 19 7.515 2.753 -8.874 1.00 2.22 H new ATOM 0 HD21 LEU A 19 6.283 2.480 -6.086 1.00 3.51 H new ATOM 0 HD22 LEU A 19 8.005 2.241 -6.466 1.00 3.51 H new ATOM 0 HD23 LEU A 19 7.525 3.407 -5.210 1.00 3.51 H new ATOM 295 N PRO A 20 8.441 8.072 -6.120 1.00 51.02 N ATOM 296 CA PRO A 20 7.535 9.157 -5.827 1.00 5.30 C ATOM 297 C PRO A 20 6.386 9.160 -6.813 1.00 52.44 C ATOM 298 O PRO A 20 6.583 8.950 -8.021 1.00 24.33 O ATOM 299 CB PRO A 20 8.394 10.422 -6.021 1.00 35.22 C ATOM 300 CG PRO A 20 9.802 9.943 -6.160 1.00 51.14 C ATOM 301 CD PRO A 20 9.720 8.540 -6.665 1.00 24.33 C ATOM 0 HA PRO A 20 7.101 9.085 -4.830 1.00 5.30 H new ATOM 0 HB2 PRO A 20 8.080 10.975 -6.906 1.00 35.22 H new ATOM 0 HB3 PRO A 20 8.293 11.097 -5.171 1.00 35.22 H new ATOM 0 HG2 PRO A 20 10.360 10.573 -6.852 1.00 51.14 H new ATOM 0 HG3 PRO A 20 10.322 9.982 -5.203 1.00 51.14 H new ATOM 0 HD2 PRO A 20 9.734 8.501 -7.754 1.00 24.33 H new ATOM 0 HD3 PRO A 20 10.555 7.934 -6.314 1.00 24.33 H new ATOM 309 N VAL A 21 5.204 9.416 -6.331 1.00 72.51 N ATOM 310 CA VAL A 21 4.063 9.451 -7.187 1.00 35.12 C ATOM 311 C VAL A 21 3.381 10.789 -7.113 1.00 22.42 C ATOM 312 O VAL A 21 3.311 11.411 -6.052 1.00 43.21 O ATOM 313 CB VAL A 21 3.042 8.304 -6.894 1.00 70.25 C ATOM 314 CG1 VAL A 21 3.663 6.943 -7.163 1.00 41.42 C ATOM 315 CG2 VAL A 21 2.523 8.371 -5.467 1.00 24.44 C ATOM 0 H VAL A 21 5.009 9.603 -5.347 1.00 72.51 H new ATOM 0 HA VAL A 21 4.434 9.292 -8.199 1.00 35.12 H new ATOM 0 HB VAL A 21 2.197 8.442 -7.568 1.00 70.25 H new ATOM 0 HG11 VAL A 21 2.933 6.162 -6.952 1.00 41.42 H new ATOM 0 HG12 VAL A 21 3.968 6.882 -8.208 1.00 41.42 H new ATOM 0 HG13 VAL A 21 4.535 6.808 -6.523 1.00 41.42 H new ATOM 0 HG21 VAL A 21 1.816 7.559 -5.299 1.00 24.44 H new ATOM 0 HG22 VAL A 21 3.357 8.276 -4.772 1.00 24.44 H new ATOM 0 HG23 VAL A 21 2.024 9.326 -5.306 1.00 24.44 H new ATOM 325 N SER A 22 2.918 11.257 -8.238 1.00 3.11 N ATOM 326 CA SER A 22 2.162 12.477 -8.301 1.00 14.34 C ATOM 327 C SER A 22 0.790 12.311 -7.619 1.00 35.32 C ATOM 328 O SER A 22 0.158 13.293 -7.216 1.00 64.21 O ATOM 329 CB SER A 22 2.036 12.922 -9.762 1.00 70.13 C ATOM 330 OG SER A 22 1.587 11.847 -10.599 1.00 41.22 O ATOM 0 H SER A 22 3.055 10.802 -9.141 1.00 3.11 H new ATOM 0 HA SER A 22 2.686 13.260 -7.753 1.00 14.34 H new ATOM 0 HB2 SER A 22 1.337 13.756 -9.831 1.00 70.13 H new ATOM 0 HB3 SER A 22 3.000 13.284 -10.118 1.00 70.13 H new ATOM 0 HG SER A 22 1.362 12.196 -11.487 1.00 41.22 H new ATOM 336 N ARG A 23 0.370 11.060 -7.471 1.00 22.11 N ATOM 337 CA ARG A 23 -0.897 10.692 -6.865 1.00 41.44 C ATOM 338 C ARG A 23 -0.969 9.179 -6.807 1.00 72.20 C ATOM 339 O ARG A 23 -0.458 8.515 -7.721 1.00 20.53 O ATOM 340 CB ARG A 23 -2.059 11.201 -7.743 1.00 65.13 C ATOM 341 CG ARG A 23 -3.452 10.814 -7.262 1.00 44.33 C ATOM 342 CD ARG A 23 -4.504 11.232 -8.269 1.00 2.44 C ATOM 343 NE ARG A 23 -5.848 10.791 -7.896 1.00 3.14 N ATOM 344 CZ ARG A 23 -6.804 10.438 -8.776 1.00 71.13 C ATOM 345 NH1 ARG A 23 -6.558 10.469 -10.090 1.00 51.11 N ATOM 346 NH2 ARG A 23 -7.999 10.062 -8.335 1.00 5.51 N ATOM 0 H ARG A 23 0.917 10.256 -7.778 1.00 22.11 H new ATOM 0 HA ARG A 23 -0.973 11.128 -5.869 1.00 41.44 H new ATOM 0 HB2 ARG A 23 -2.001 12.288 -7.801 1.00 65.13 H new ATOM 0 HB3 ARG A 23 -1.923 10.820 -8.755 1.00 65.13 H new ATOM 0 HG2 ARG A 23 -3.501 9.737 -7.104 1.00 44.33 H new ATOM 0 HG3 ARG A 23 -3.654 11.286 -6.301 1.00 44.33 H new ATOM 0 HD2 ARG A 23 -4.496 12.318 -8.367 1.00 2.44 H new ATOM 0 HD3 ARG A 23 -4.249 10.822 -9.246 1.00 2.44 H new ATOM 0 HE ARG A 23 -6.076 10.748 -6.903 1.00 3.14 H new ATOM 0 HH11 ARG A 23 -5.642 10.761 -10.431 1.00 51.11 H new ATOM 0 HH12 ARG A 23 -7.286 10.200 -10.752 1.00 51.11 H new ATOM 0 HH21 ARG A 23 -8.190 10.041 -7.333 1.00 5.51 H new ATOM 0 HH22 ARG A 23 -8.726 9.794 -8.998 1.00 5.51 H new ATOM 360 N ILE A 24 -1.543 8.628 -5.736 1.00 11.25 N ATOM 361 CA ILE A 24 -1.840 7.195 -5.694 1.00 50.44 C ATOM 362 C ILE A 24 -2.929 6.980 -6.734 1.00 30.21 C ATOM 363 O ILE A 24 -4.108 7.297 -6.496 1.00 31.45 O ATOM 364 CB ILE A 24 -2.386 6.733 -4.301 1.00 13.52 C ATOM 365 CG1 ILE A 24 -1.440 7.128 -3.137 1.00 32.12 C ATOM 366 CG2 ILE A 24 -2.628 5.227 -4.295 1.00 72.54 C ATOM 367 CD1 ILE A 24 -0.065 6.528 -3.189 1.00 1.31 C ATOM 0 H ILE A 24 -1.808 9.144 -4.897 1.00 11.25 H new ATOM 0 HA ILE A 24 -0.931 6.623 -5.881 1.00 50.44 H new ATOM 0 HB ILE A 24 -3.332 7.250 -4.141 1.00 13.52 H new ATOM 0 HG12 ILE A 24 -1.343 8.214 -3.123 1.00 32.12 H new ATOM 0 HG13 ILE A 24 -1.909 6.838 -2.197 1.00 32.12 H new ATOM 0 HG21 ILE A 24 -3.007 4.923 -3.319 1.00 72.54 H new ATOM 0 HG22 ILE A 24 -3.358 4.973 -5.063 1.00 72.54 H new ATOM 0 HG23 ILE A 24 -1.692 4.707 -4.498 1.00 72.54 H new ATOM 0 HD11 ILE A 24 0.513 6.869 -2.330 1.00 1.31 H new ATOM 0 HD12 ILE A 24 -0.141 5.441 -3.167 1.00 1.31 H new ATOM 0 HD13 ILE A 24 0.433 6.838 -4.108 1.00 1.31 H new ATOM 379 N LYS A 25 -2.538 6.523 -7.879 1.00 53.11 N ATOM 380 CA LYS A 25 -3.433 6.451 -8.989 1.00 52.12 C ATOM 381 C LYS A 25 -3.733 5.033 -9.348 1.00 43.30 C ATOM 382 O LYS A 25 -2.970 4.122 -9.005 1.00 55.10 O ATOM 383 CB LYS A 25 -2.825 7.201 -10.167 1.00 25.40 C ATOM 384 CG LYS A 25 -1.551 6.604 -10.713 1.00 2.41 C ATOM 385 CD LYS A 25 -0.914 7.555 -11.678 1.00 13.45 C ATOM 386 CE LYS A 25 -0.346 8.760 -10.928 1.00 33.51 C ATOM 387 NZ LYS A 25 -0.082 9.927 -11.792 1.00 25.40 N ATOM 0 H LYS A 25 -1.593 6.190 -8.072 1.00 53.11 H new ATOM 0 HA LYS A 25 -4.380 6.918 -8.718 1.00 52.12 H new ATOM 0 HB2 LYS A 25 -3.561 7.245 -10.970 1.00 25.40 H new ATOM 0 HB3 LYS A 25 -2.625 8.228 -9.861 1.00 25.40 H new ATOM 0 HG2 LYS A 25 -0.863 6.386 -9.897 1.00 2.41 H new ATOM 0 HG3 LYS A 25 -1.766 5.658 -11.210 1.00 2.41 H new ATOM 0 HD2 LYS A 25 -0.119 7.050 -12.227 1.00 13.45 H new ATOM 0 HD3 LYS A 25 -1.648 7.887 -12.412 1.00 13.45 H new ATOM 0 HE2 LYS A 25 -1.045 9.051 -10.144 1.00 33.51 H new ATOM 0 HE3 LYS A 25 0.581 8.466 -10.436 1.00 33.51 H new ATOM 0 HZ1 LYS A 25 0.618 10.546 -11.335 1.00 25.40 H new ATOM 0 HZ2 LYS A 25 0.287 9.604 -12.709 1.00 25.40 H new ATOM 0 HZ3 LYS A 25 -0.965 10.455 -11.941 1.00 25.40 H new ATOM 401 N THR A 26 -4.823 4.845 -10.024 1.00 22.31 N ATOM 402 CA THR A 26 -5.249 3.560 -10.430 1.00 52.43 C ATOM 403 C THR A 26 -5.440 3.459 -11.934 1.00 21.44 C ATOM 404 O THR A 26 -6.075 4.311 -12.564 1.00 20.12 O ATOM 405 CB THR A 26 -6.530 3.122 -9.690 1.00 73.43 C ATOM 406 OG1 THR A 26 -7.476 4.211 -9.651 1.00 42.22 O ATOM 407 CG2 THR A 26 -6.224 2.632 -8.283 1.00 75.00 C ATOM 0 H THR A 26 -5.447 5.600 -10.310 1.00 22.31 H new ATOM 0 HA THR A 26 -4.447 2.875 -10.157 1.00 52.43 H new ATOM 0 HB THR A 26 -6.967 2.289 -10.240 1.00 73.43 H new ATOM 0 HG1 THR A 26 -8.287 3.924 -9.181 1.00 42.22 H new ATOM 0 HG21 THR A 26 -7.150 2.332 -7.793 1.00 75.00 H new ATOM 0 HG22 THR A 26 -5.548 1.779 -8.334 1.00 75.00 H new ATOM 0 HG23 THR A 26 -5.755 3.434 -7.713 1.00 75.00 H new ATOM 415 N TYR A 27 -4.877 2.428 -12.493 1.00 13.32 N ATOM 416 CA TYR A 27 -5.038 2.106 -13.892 1.00 14.32 C ATOM 417 C TYR A 27 -5.904 0.905 -13.993 1.00 63.34 C ATOM 418 O TYR A 27 -5.845 0.041 -13.132 1.00 23.32 O ATOM 419 CB TYR A 27 -3.690 1.826 -14.568 1.00 11.15 C ATOM 420 CG TYR A 27 -2.855 3.048 -14.816 1.00 25.11 C ATOM 421 CD1 TYR A 27 -2.146 3.664 -13.802 1.00 22.23 C ATOM 422 CD2 TYR A 27 -2.783 3.589 -16.086 1.00 52.33 C ATOM 423 CE1 TYR A 27 -1.394 4.791 -14.048 1.00 20.23 C ATOM 424 CE2 TYR A 27 -2.033 4.706 -16.345 1.00 40.23 C ATOM 425 CZ TYR A 27 -1.339 5.308 -15.327 1.00 51.32 C ATOM 426 OH TYR A 27 -0.606 6.454 -15.590 1.00 71.25 O ATOM 0 H TYR A 27 -4.282 1.773 -11.986 1.00 13.32 H new ATOM 0 HA TYR A 27 -5.489 2.958 -14.401 1.00 14.32 H new ATOM 0 HB2 TYR A 27 -3.123 1.133 -13.946 1.00 11.15 H new ATOM 0 HB3 TYR A 27 -3.871 1.326 -15.519 1.00 11.15 H new ATOM 0 HD1 TYR A 27 -2.182 3.256 -12.803 1.00 22.23 H new ATOM 0 HD2 TYR A 27 -3.330 3.121 -16.891 1.00 52.33 H new ATOM 0 HE1 TYR A 27 -0.851 5.268 -13.245 1.00 20.23 H new ATOM 0 HE2 TYR A 27 -1.989 5.110 -17.346 1.00 40.23 H new ATOM 0 HH TYR A 27 0.103 6.550 -14.920 1.00 71.25 H new ATOM 436 N THR A 28 -6.731 0.847 -14.987 1.00 52.55 N ATOM 437 CA THR A 28 -7.595 -0.274 -15.135 1.00 2.31 C ATOM 438 C THR A 28 -7.378 -0.935 -16.488 1.00 12.30 C ATOM 439 O THR A 28 -7.527 -0.312 -17.542 1.00 3.53 O ATOM 440 CB THR A 28 -9.068 0.130 -14.951 1.00 3.14 C ATOM 441 OG1 THR A 28 -9.184 0.852 -13.710 1.00 33.20 O ATOM 442 CG2 THR A 28 -9.953 -1.113 -14.872 1.00 71.21 C ATOM 0 H THR A 28 -6.825 1.564 -15.707 1.00 52.55 H new ATOM 0 HA THR A 28 -7.352 -0.996 -14.355 1.00 2.31 H new ATOM 0 HB THR A 28 -9.385 0.742 -15.796 1.00 3.14 H new ATOM 0 HG1 THR A 28 -10.117 1.121 -13.574 1.00 33.20 H new ATOM 0 HG21 THR A 28 -10.992 -0.812 -14.742 1.00 71.21 H new ATOM 0 HG22 THR A 28 -9.855 -1.689 -15.792 1.00 71.21 H new ATOM 0 HG23 THR A 28 -9.644 -1.726 -14.025 1.00 71.21 H new ATOM 450 N ILE A 29 -7.020 -2.175 -16.442 1.00 13.00 N ATOM 451 CA ILE A 29 -6.774 -2.953 -17.610 1.00 73.12 C ATOM 452 C ILE A 29 -7.964 -3.855 -17.844 1.00 44.15 C ATOM 453 O ILE A 29 -8.497 -4.433 -16.903 1.00 63.20 O ATOM 454 CB ILE A 29 -5.521 -3.840 -17.427 1.00 41.13 C ATOM 455 CG1 ILE A 29 -4.269 -3.006 -17.181 1.00 25.20 C ATOM 456 CG2 ILE A 29 -5.333 -4.723 -18.627 1.00 60.53 C ATOM 457 CD1 ILE A 29 -3.057 -3.827 -16.839 1.00 55.22 C ATOM 0 H ILE A 29 -6.887 -2.688 -15.570 1.00 13.00 H new ATOM 0 HA ILE A 29 -6.613 -2.281 -18.453 1.00 73.12 H new ATOM 0 HB ILE A 29 -5.680 -4.461 -16.546 1.00 41.13 H new ATOM 0 HG12 ILE A 29 -4.057 -2.413 -18.071 1.00 25.20 H new ATOM 0 HG13 ILE A 29 -4.463 -2.305 -16.370 1.00 25.20 H new ATOM 0 HG21 ILE A 29 -4.448 -5.343 -18.487 1.00 60.53 H new ATOM 0 HG22 ILE A 29 -6.208 -5.362 -18.749 1.00 60.53 H new ATOM 0 HG23 ILE A 29 -5.207 -4.106 -19.517 1.00 60.53 H new ATOM 0 HD11 ILE A 29 -2.204 -3.167 -16.677 1.00 55.22 H new ATOM 0 HD12 ILE A 29 -3.250 -4.400 -15.932 1.00 55.22 H new ATOM 0 HD13 ILE A 29 -2.837 -4.510 -17.659 1.00 55.22 H new ATOM 469 N THR A 30 -8.370 -3.960 -19.061 1.00 22.43 N ATOM 470 CA THR A 30 -9.456 -4.804 -19.434 1.00 4.25 C ATOM 471 C THR A 30 -9.061 -5.654 -20.631 1.00 53.21 C ATOM 472 O THR A 30 -9.122 -5.192 -21.772 1.00 4.44 O ATOM 473 CB THR A 30 -10.737 -3.989 -19.750 1.00 35.53 C ATOM 474 OG1 THR A 30 -10.434 -2.963 -20.714 1.00 63.42 O ATOM 475 CG2 THR A 30 -11.317 -3.347 -18.492 1.00 40.12 C ATOM 0 H THR A 30 -7.951 -3.454 -19.841 1.00 22.43 H new ATOM 0 HA THR A 30 -9.683 -5.452 -18.588 1.00 4.25 H new ATOM 0 HB THR A 30 -11.480 -4.676 -20.155 1.00 35.53 H new ATOM 0 HG1 THR A 30 -9.837 -3.326 -21.402 1.00 63.42 H new ATOM 0 HG21 THR A 30 -12.214 -2.784 -18.751 1.00 40.12 H new ATOM 0 HG22 THR A 30 -11.572 -4.124 -17.771 1.00 40.12 H new ATOM 0 HG23 THR A 30 -10.580 -2.674 -18.054 1.00 40.12 H new ATOM 483 N GLU A 31 -8.593 -6.864 -20.383 1.00 0.31 N ATOM 484 CA GLU A 31 -8.192 -7.716 -21.479 1.00 0.22 C ATOM 485 C GLU A 31 -9.090 -8.935 -21.553 1.00 35.41 C ATOM 486 O GLU A 31 -8.915 -9.892 -20.798 1.00 75.23 O ATOM 487 CB GLU A 31 -6.718 -8.169 -21.349 1.00 13.20 C ATOM 488 CG GLU A 31 -5.706 -7.042 -21.153 1.00 15.21 C ATOM 489 CD GLU A 31 -5.829 -5.940 -22.185 1.00 50.50 C ATOM 490 OE1 GLU A 31 -5.909 -6.245 -23.381 1.00 51.21 O ATOM 491 OE2 GLU A 31 -5.844 -4.755 -21.812 1.00 5.12 O ATOM 0 H GLU A 31 -8.484 -7.269 -19.453 1.00 0.31 H new ATOM 0 HA GLU A 31 -8.287 -7.131 -22.394 1.00 0.22 H new ATOM 0 HB2 GLU A 31 -6.639 -8.857 -20.507 1.00 13.20 H new ATOM 0 HB3 GLU A 31 -6.446 -8.728 -22.244 1.00 13.20 H new ATOM 0 HG2 GLU A 31 -5.836 -6.615 -20.159 1.00 15.21 H new ATOM 0 HG3 GLU A 31 -4.699 -7.457 -21.193 1.00 15.21 H new ATOM 498 N GLY A 32 -10.058 -8.882 -22.436 1.00 52.31 N ATOM 499 CA GLY A 32 -10.956 -9.998 -22.642 1.00 74.34 C ATOM 500 C GLY A 32 -11.864 -10.275 -21.460 1.00 52.52 C ATOM 501 O GLY A 32 -11.753 -11.327 -20.828 1.00 24.52 O ATOM 0 H GLY A 32 -10.246 -8.073 -23.028 1.00 52.31 H new ATOM 0 HA2 GLY A 32 -11.569 -9.802 -23.522 1.00 74.34 H new ATOM 0 HA3 GLY A 32 -10.369 -10.891 -22.855 1.00 74.34 H new ATOM 505 N SER A 33 -12.755 -9.320 -21.154 1.00 2.01 N ATOM 506 CA SER A 33 -13.760 -9.452 -20.064 1.00 22.32 C ATOM 507 C SER A 33 -13.091 -9.509 -18.676 1.00 63.14 C ATOM 508 O SER A 33 -13.686 -9.937 -17.688 1.00 64.03 O ATOM 509 CB SER A 33 -14.633 -10.692 -20.306 1.00 73.22 C ATOM 510 OG SER A 33 -15.278 -10.607 -21.580 1.00 13.32 O ATOM 0 H SER A 33 -12.807 -8.430 -21.650 1.00 2.01 H new ATOM 0 HA SER A 33 -14.394 -8.566 -20.076 1.00 22.32 H new ATOM 0 HB2 SER A 33 -14.019 -11.591 -20.262 1.00 73.22 H new ATOM 0 HB3 SER A 33 -15.381 -10.778 -19.518 1.00 73.22 H new ATOM 0 HG SER A 33 -15.829 -11.405 -21.721 1.00 13.32 H new ATOM 516 N LEU A 34 -11.896 -9.023 -18.622 1.00 64.43 N ATOM 517 CA LEU A 34 -11.087 -9.032 -17.434 1.00 13.11 C ATOM 518 C LEU A 34 -10.891 -7.599 -16.956 1.00 2.42 C ATOM 519 O LEU A 34 -10.765 -6.713 -17.773 1.00 10.25 O ATOM 520 CB LEU A 34 -9.745 -9.740 -17.812 1.00 52.42 C ATOM 521 CG LEU A 34 -8.574 -9.759 -16.820 1.00 11.00 C ATOM 522 CD1 LEU A 34 -7.887 -8.406 -16.732 1.00 1.43 C ATOM 523 CD2 LEU A 34 -9.043 -10.219 -15.455 1.00 75.44 C ATOM 0 H LEU A 34 -11.435 -8.594 -19.424 1.00 64.43 H new ATOM 0 HA LEU A 34 -11.551 -9.573 -16.609 1.00 13.11 H new ATOM 0 HB2 LEU A 34 -9.983 -10.777 -18.050 1.00 52.42 H new ATOM 0 HB3 LEU A 34 -9.383 -9.277 -18.730 1.00 52.42 H new ATOM 0 HG LEU A 34 -7.837 -10.471 -17.191 1.00 11.00 H new ATOM 0 HD11 LEU A 34 -7.064 -8.461 -16.019 1.00 1.43 H new ATOM 0 HD12 LEU A 34 -7.500 -8.130 -17.713 1.00 1.43 H new ATOM 0 HD13 LEU A 34 -8.604 -7.655 -16.400 1.00 1.43 H new ATOM 0 HD21 LEU A 34 -8.200 -10.227 -14.764 1.00 75.44 H new ATOM 0 HD22 LEU A 34 -9.809 -9.538 -15.085 1.00 75.44 H new ATOM 0 HD23 LEU A 34 -9.458 -11.224 -15.532 1.00 75.44 H new ATOM 535 N ARG A 35 -10.901 -7.362 -15.637 1.00 71.04 N ATOM 536 CA ARG A 35 -10.657 -6.028 -15.124 1.00 13.25 C ATOM 537 C ARG A 35 -9.516 -6.061 -14.093 1.00 15.52 C ATOM 538 O ARG A 35 -9.678 -6.574 -13.021 1.00 11.23 O ATOM 539 CB ARG A 35 -11.918 -5.517 -14.424 1.00 62.31 C ATOM 540 CG ARG A 35 -13.169 -5.440 -15.283 1.00 74.32 C ATOM 541 CD ARG A 35 -14.354 -5.070 -14.415 1.00 73.34 C ATOM 542 NE ARG A 35 -15.614 -4.971 -15.151 1.00 4.32 N ATOM 543 CZ ARG A 35 -16.812 -4.819 -14.566 1.00 23.31 C ATOM 544 NH1 ARG A 35 -16.913 -4.844 -13.236 1.00 23.33 N ATOM 545 NH2 ARG A 35 -17.905 -4.658 -15.302 1.00 12.00 N ATOM 0 H ARG A 35 -11.074 -8.071 -14.924 1.00 71.04 H new ATOM 0 HA ARG A 35 -10.388 -5.376 -15.955 1.00 13.25 H new ATOM 0 HB2 ARG A 35 -12.125 -6.165 -13.572 1.00 62.31 H new ATOM 0 HB3 ARG A 35 -11.712 -4.523 -14.026 1.00 62.31 H new ATOM 0 HG2 ARG A 35 -13.037 -4.699 -16.072 1.00 74.32 H new ATOM 0 HG3 ARG A 35 -13.347 -6.398 -15.772 1.00 74.32 H new ATOM 0 HD2 ARG A 35 -14.462 -5.815 -13.626 1.00 73.34 H new ATOM 0 HD3 ARG A 35 -14.152 -4.116 -13.928 1.00 73.34 H new ATOM 0 HE ARG A 35 -15.580 -5.020 -16.169 1.00 4.32 H new ATOM 0 HH11 ARG A 35 -16.079 -4.979 -12.664 1.00 23.33 H new ATOM 0 HH12 ARG A 35 -17.824 -4.728 -12.791 1.00 23.33 H new ATOM 0 HH21 ARG A 35 -17.838 -4.649 -16.320 1.00 12.00 H new ATOM 0 HH22 ARG A 35 -18.812 -4.543 -14.850 1.00 12.00 H new ATOM 559 N CYS A 36 -8.402 -5.495 -14.423 1.00 54.55 N ATOM 560 CA CYS A 36 -7.264 -5.402 -13.504 1.00 53.54 C ATOM 561 C CYS A 36 -7.053 -3.938 -13.112 1.00 65.21 C ATOM 562 O CYS A 36 -7.033 -3.076 -13.959 1.00 51.12 O ATOM 563 CB CYS A 36 -5.966 -5.968 -14.132 1.00 52.21 C ATOM 564 SG CYS A 36 -5.749 -7.798 -14.276 1.00 33.44 S ATOM 0 H CYS A 36 -8.233 -5.075 -15.337 1.00 54.55 H new ATOM 0 HA CYS A 36 -7.490 -6.002 -12.622 1.00 53.54 H new ATOM 0 HB2 CYS A 36 -5.878 -5.549 -15.134 1.00 52.21 H new ATOM 0 HB3 CYS A 36 -5.127 -5.584 -13.551 1.00 52.21 H new ATOM 569 N VAL A 37 -6.907 -3.671 -11.841 1.00 14.31 N ATOM 570 CA VAL A 37 -6.752 -2.320 -11.331 1.00 20.13 C ATOM 571 C VAL A 37 -5.403 -2.210 -10.645 1.00 3.21 C ATOM 572 O VAL A 37 -5.067 -3.037 -9.803 1.00 13.22 O ATOM 573 CB VAL A 37 -7.871 -1.966 -10.314 1.00 35.30 C ATOM 574 CG1 VAL A 37 -7.773 -0.519 -9.861 1.00 54.44 C ATOM 575 CG2 VAL A 37 -9.246 -2.264 -10.891 1.00 73.44 C ATOM 0 H VAL A 37 -6.891 -4.389 -11.116 1.00 14.31 H new ATOM 0 HA VAL A 37 -6.820 -1.624 -12.167 1.00 20.13 H new ATOM 0 HB VAL A 37 -7.729 -2.596 -9.436 1.00 35.30 H new ATOM 0 HG11 VAL A 37 -8.571 -0.305 -9.150 1.00 54.44 H new ATOM 0 HG12 VAL A 37 -6.807 -0.352 -9.384 1.00 54.44 H new ATOM 0 HG13 VAL A 37 -7.870 0.140 -10.724 1.00 54.44 H new ATOM 0 HG21 VAL A 37 -10.011 -2.007 -10.159 1.00 73.44 H new ATOM 0 HG22 VAL A 37 -9.397 -1.674 -11.795 1.00 73.44 H new ATOM 0 HG23 VAL A 37 -9.317 -3.324 -11.133 1.00 73.44 H new ATOM 585 N ILE A 38 -4.649 -1.209 -11.004 1.00 22.44 N ATOM 586 CA ILE A 38 -3.298 -1.042 -10.503 1.00 50.32 C ATOM 587 C ILE A 38 -3.185 0.244 -9.699 1.00 64.50 C ATOM 588 O ILE A 38 -3.413 1.315 -10.229 1.00 55.40 O ATOM 589 CB ILE A 38 -2.325 -0.931 -11.687 1.00 12.44 C ATOM 590 CG1 ILE A 38 -2.525 -2.098 -12.645 1.00 1.45 C ATOM 591 CG2 ILE A 38 -0.877 -0.894 -11.188 1.00 64.32 C ATOM 592 CD1 ILE A 38 -1.740 -1.949 -13.903 1.00 34.15 C ATOM 0 H ILE A 38 -4.947 -0.481 -11.653 1.00 22.44 H new ATOM 0 HA ILE A 38 -3.059 -1.900 -9.875 1.00 50.32 H new ATOM 0 HB ILE A 38 -2.531 -0.003 -12.220 1.00 12.44 H new ATOM 0 HG12 ILE A 38 -2.236 -3.024 -12.148 1.00 1.45 H new ATOM 0 HG13 ILE A 38 -3.584 -2.185 -12.890 1.00 1.45 H new ATOM 0 HG21 ILE A 38 -0.201 -0.815 -12.039 1.00 64.32 H new ATOM 0 HG22 ILE A 38 -0.739 -0.033 -10.534 1.00 64.32 H new ATOM 0 HG23 ILE A 38 -0.659 -1.808 -10.635 1.00 64.32 H new ATOM 0 HD11 ILE A 38 -1.920 -2.809 -14.548 1.00 34.15 H new ATOM 0 HD12 ILE A 38 -2.047 -1.038 -14.417 1.00 34.15 H new ATOM 0 HD13 ILE A 38 -0.678 -1.891 -13.664 1.00 34.15 H new ATOM 604 N PHE A 39 -2.842 0.116 -8.443 1.00 53.43 N ATOM 605 CA PHE A 39 -2.616 1.250 -7.552 1.00 72.14 C ATOM 606 C PHE A 39 -1.140 1.553 -7.506 1.00 64.35 C ATOM 607 O PHE A 39 -0.354 0.712 -7.048 1.00 42.13 O ATOM 608 CB PHE A 39 -3.047 0.917 -6.116 1.00 44.21 C ATOM 609 CG PHE A 39 -4.518 0.729 -5.881 1.00 55.42 C ATOM 610 CD1 PHE A 39 -5.201 -0.372 -6.380 1.00 34.42 C ATOM 611 CD2 PHE A 39 -5.212 1.659 -5.131 1.00 34.52 C ATOM 612 CE1 PHE A 39 -6.553 -0.531 -6.138 1.00 52.32 C ATOM 613 CE2 PHE A 39 -6.553 1.511 -4.884 1.00 21.03 C ATOM 614 CZ PHE A 39 -7.233 0.414 -5.387 1.00 71.11 C ATOM 0 H PHE A 39 -2.707 -0.789 -7.993 1.00 53.43 H new ATOM 0 HA PHE A 39 -3.194 2.093 -7.930 1.00 72.14 H new ATOM 0 HB2 PHE A 39 -2.534 0.005 -5.809 1.00 44.21 H new ATOM 0 HB3 PHE A 39 -2.697 1.715 -5.462 1.00 44.21 H new ATOM 0 HD1 PHE A 39 -4.671 -1.111 -6.963 1.00 34.42 H new ATOM 0 HD2 PHE A 39 -4.690 2.517 -4.733 1.00 34.52 H new ATOM 0 HE1 PHE A 39 -7.077 -1.389 -6.533 1.00 52.32 H new ATOM 0 HE2 PHE A 39 -7.079 2.250 -4.297 1.00 21.03 H new ATOM 0 HZ PHE A 39 -8.289 0.296 -5.194 1.00 71.11 H new ATOM 624 N ILE A 40 -0.748 2.712 -7.966 1.00 14.13 N ATOM 625 CA ILE A 40 0.649 3.083 -7.888 1.00 70.33 C ATOM 626 C ILE A 40 0.826 3.852 -6.619 1.00 31.41 C ATOM 627 O ILE A 40 0.200 4.903 -6.446 1.00 51.42 O ATOM 628 CB ILE A 40 1.108 4.003 -9.042 1.00 3.32 C ATOM 629 CG1 ILE A 40 0.478 3.572 -10.354 1.00 2.12 C ATOM 630 CG2 ILE A 40 2.635 3.979 -9.148 1.00 34.01 C ATOM 631 CD1 ILE A 40 1.050 4.264 -11.570 1.00 40.14 C ATOM 0 H ILE A 40 -1.360 3.408 -8.392 1.00 14.13 H new ATOM 0 HA ILE A 40 1.238 2.168 -7.940 1.00 70.33 H new ATOM 0 HB ILE A 40 0.783 5.021 -8.829 1.00 3.32 H new ATOM 0 HG12 ILE A 40 0.604 2.495 -10.469 1.00 2.12 H new ATOM 0 HG13 ILE A 40 -0.594 3.764 -10.310 1.00 2.12 H new ATOM 0 HG21 ILE A 40 2.953 4.629 -9.963 1.00 34.01 H new ATOM 0 HG22 ILE A 40 3.070 4.330 -8.212 1.00 34.01 H new ATOM 0 HG23 ILE A 40 2.970 2.961 -9.344 1.00 34.01 H new ATOM 0 HD11 ILE A 40 0.547 3.901 -12.466 1.00 40.14 H new ATOM 0 HD12 ILE A 40 0.900 5.340 -11.481 1.00 40.14 H new ATOM 0 HD13 ILE A 40 2.117 4.051 -11.642 1.00 40.14 H new ATOM 643 N THR A 41 1.635 3.363 -5.726 1.00 12.40 N ATOM 644 CA THR A 41 1.826 4.055 -4.506 1.00 42.11 C ATOM 645 C THR A 41 3.274 4.474 -4.389 1.00 61.33 C ATOM 646 O THR A 41 4.135 3.948 -5.084 1.00 51.44 O ATOM 647 CB THR A 41 1.412 3.220 -3.262 1.00 64.21 C ATOM 648 OG1 THR A 41 2.311 2.120 -3.065 1.00 51.30 O ATOM 649 CG2 THR A 41 0.003 2.665 -3.411 1.00 75.41 C ATOM 0 H THR A 41 2.164 2.496 -5.826 1.00 12.40 H new ATOM 0 HA THR A 41 1.176 4.930 -4.524 1.00 42.11 H new ATOM 0 HB THR A 41 1.449 3.891 -2.404 1.00 64.21 H new ATOM 0 HG1 THR A 41 2.663 1.826 -3.931 1.00 51.30 H new ATOM 0 HG21 THR A 41 -0.256 2.086 -2.524 1.00 75.41 H new ATOM 0 HG22 THR A 41 -0.702 3.488 -3.525 1.00 75.41 H new ATOM 0 HG23 THR A 41 -0.044 2.022 -4.290 1.00 75.41 H new ATOM 657 N LYS A 42 3.535 5.395 -3.499 1.00 75.32 N ATOM 658 CA LYS A 42 4.890 5.923 -3.276 1.00 62.34 C ATOM 659 C LYS A 42 5.937 4.907 -2.744 1.00 20.42 C ATOM 660 O LYS A 42 7.117 5.244 -2.610 1.00 33.35 O ATOM 661 CB LYS A 42 4.872 7.246 -2.464 1.00 3.35 C ATOM 662 CG LYS A 42 3.862 7.306 -1.312 1.00 65.14 C ATOM 663 CD LYS A 42 4.035 6.191 -0.288 1.00 43.24 C ATOM 664 CE LYS A 42 2.970 6.271 0.800 1.00 1.12 C ATOM 665 NZ LYS A 42 3.083 5.170 1.793 1.00 14.14 N ATOM 0 H LYS A 42 2.824 5.813 -2.898 1.00 75.32 H new ATOM 0 HA LYS A 42 5.253 6.149 -4.279 1.00 62.34 H new ATOM 0 HB2 LYS A 42 5.869 7.415 -2.058 1.00 3.35 H new ATOM 0 HB3 LYS A 42 4.663 8.068 -3.149 1.00 3.35 H new ATOM 0 HG2 LYS A 42 3.956 8.268 -0.808 1.00 65.14 H new ATOM 0 HG3 LYS A 42 2.853 7.258 -1.722 1.00 65.14 H new ATOM 0 HD2 LYS A 42 3.977 5.224 -0.787 1.00 43.24 H new ATOM 0 HD3 LYS A 42 5.025 6.258 0.163 1.00 43.24 H new ATOM 0 HE2 LYS A 42 3.052 7.229 1.314 1.00 1.12 H new ATOM 0 HE3 LYS A 42 1.982 6.240 0.340 1.00 1.12 H new ATOM 0 HZ1 LYS A 42 2.336 5.271 2.510 1.00 14.14 H new ATOM 0 HZ2 LYS A 42 2.978 4.255 1.310 1.00 14.14 H new ATOM 0 HZ3 LYS A 42 4.014 5.213 2.254 1.00 14.14 H new ATOM 679 N ARG A 43 5.520 3.688 -2.445 1.00 43.22 N ATOM 680 CA ARG A 43 6.465 2.666 -1.992 1.00 12.34 C ATOM 681 C ARG A 43 6.229 1.325 -2.669 1.00 71.20 C ATOM 682 O ARG A 43 6.772 0.335 -2.242 1.00 41.14 O ATOM 683 CB ARG A 43 6.423 2.463 -0.464 1.00 42.33 C ATOM 684 CG ARG A 43 6.868 3.644 0.376 1.00 33.01 C ATOM 685 CD ARG A 43 6.902 3.261 1.845 1.00 14.11 C ATOM 686 NE ARG A 43 7.329 4.366 2.708 1.00 24.12 N ATOM 687 CZ ARG A 43 7.674 4.234 3.999 1.00 13.24 C ATOM 688 NH1 ARG A 43 7.672 3.037 4.568 1.00 62.22 N ATOM 689 NH2 ARG A 43 8.042 5.298 4.710 1.00 51.14 N ATOM 0 H ARG A 43 4.550 3.379 -2.504 1.00 43.22 H new ATOM 0 HA ARG A 43 7.449 3.041 -2.273 1.00 12.34 H new ATOM 0 HB2 ARG A 43 5.403 2.204 -0.180 1.00 42.33 H new ATOM 0 HB3 ARG A 43 7.050 1.608 -0.214 1.00 42.33 H new ATOM 0 HG2 ARG A 43 7.856 3.975 0.056 1.00 33.01 H new ATOM 0 HG3 ARG A 43 6.187 4.482 0.227 1.00 33.01 H new ATOM 0 HD2 ARG A 43 5.911 2.928 2.152 1.00 14.11 H new ATOM 0 HD3 ARG A 43 7.578 2.417 1.981 1.00 14.11 H new ATOM 0 HE ARG A 43 7.367 5.300 2.300 1.00 24.12 H new ATOM 0 HH11 ARG A 43 7.408 2.215 4.025 1.00 62.22 H new ATOM 0 HH12 ARG A 43 7.934 2.938 5.549 1.00 62.22 H new ATOM 0 HH21 ARG A 43 8.063 6.220 4.274 1.00 51.14 H new ATOM 0 HH22 ARG A 43 8.303 5.191 5.690 1.00 51.14 H new ATOM 703 N GLY A 44 5.459 1.294 -3.732 1.00 3.42 N ATOM 704 CA GLY A 44 5.166 0.028 -4.371 1.00 40.04 C ATOM 705 C GLY A 44 3.855 0.065 -5.096 1.00 13.52 C ATOM 706 O GLY A 44 3.299 1.143 -5.312 1.00 20.53 O ATOM 0 H GLY A 44 5.031 2.111 -4.167 1.00 3.42 H new ATOM 0 HA2 GLY A 44 5.963 -0.219 -5.072 1.00 40.04 H new ATOM 0 HA3 GLY A 44 5.145 -0.762 -3.621 1.00 40.04 H new ATOM 710 N LEU A 45 3.328 -1.085 -5.456 1.00 34.14 N ATOM 711 CA LEU A 45 2.083 -1.115 -6.225 1.00 3.21 C ATOM 712 C LEU A 45 1.159 -2.239 -5.781 1.00 22.32 C ATOM 713 O LEU A 45 1.611 -3.286 -5.290 1.00 13.33 O ATOM 714 CB LEU A 45 2.313 -1.231 -7.767 1.00 22.23 C ATOM 715 CG LEU A 45 3.106 -0.106 -8.483 1.00 33.45 C ATOM 716 CD1 LEU A 45 4.617 -0.238 -8.303 1.00 51.43 C ATOM 717 CD2 LEU A 45 2.719 -0.014 -9.949 1.00 5.10 C ATOM 0 H LEU A 45 3.725 -1.999 -5.239 1.00 34.14 H new ATOM 0 HA LEU A 45 1.610 -0.155 -6.020 1.00 3.21 H new ATOM 0 HB2 LEU A 45 2.829 -2.172 -7.955 1.00 22.23 H new ATOM 0 HB3 LEU A 45 1.335 -1.303 -8.244 1.00 22.23 H new ATOM 0 HG LEU A 45 2.827 0.831 -8.002 1.00 33.45 H new ATOM 0 HD11 LEU A 45 5.118 0.577 -8.826 1.00 51.43 H new ATOM 0 HD12 LEU A 45 4.862 -0.193 -7.242 1.00 51.43 H new ATOM 0 HD13 LEU A 45 4.950 -1.192 -8.713 1.00 51.43 H new ATOM 0 HD21 LEU A 45 3.290 0.782 -10.427 1.00 5.10 H new ATOM 0 HD22 LEU A 45 2.935 -0.962 -10.443 1.00 5.10 H new ATOM 0 HD23 LEU A 45 1.654 0.203 -10.031 1.00 5.10 H new ATOM 729 N LYS A 46 -0.125 -2.015 -5.951 1.00 13.21 N ATOM 730 CA LYS A 46 -1.141 -3.009 -5.667 1.00 0.42 C ATOM 731 C LYS A 46 -1.877 -3.304 -6.940 1.00 74.43 C ATOM 732 O LYS A 46 -2.384 -2.390 -7.576 1.00 51.42 O ATOM 733 CB LYS A 46 -2.211 -2.480 -4.695 1.00 44.30 C ATOM 734 CG LYS A 46 -3.273 -3.532 -4.348 1.00 32.23 C ATOM 735 CD LYS A 46 -4.597 -2.934 -3.889 1.00 40.40 C ATOM 736 CE LYS A 46 -4.441 -1.895 -2.804 1.00 51.11 C ATOM 737 NZ LYS A 46 -5.756 -1.455 -2.269 1.00 33.22 N ATOM 0 H LYS A 46 -0.499 -1.130 -6.293 1.00 13.21 H new ATOM 0 HA LYS A 46 -0.637 -3.875 -5.237 1.00 0.42 H new ATOM 0 HB2 LYS A 46 -1.727 -2.143 -3.778 1.00 44.30 H new ATOM 0 HB3 LYS A 46 -2.698 -1.611 -5.137 1.00 44.30 H new ATOM 0 HG2 LYS A 46 -3.451 -4.159 -5.222 1.00 32.23 H new ATOM 0 HG3 LYS A 46 -2.886 -4.182 -3.563 1.00 32.23 H new ATOM 0 HD2 LYS A 46 -5.100 -2.483 -4.745 1.00 40.40 H new ATOM 0 HD3 LYS A 46 -5.242 -3.734 -3.526 1.00 40.40 H new ATOM 0 HE2 LYS A 46 -3.837 -2.303 -1.994 1.00 51.11 H new ATOM 0 HE3 LYS A 46 -3.903 -1.034 -3.200 1.00 51.11 H new ATOM 0 HZ1 LYS A 46 -5.608 -0.742 -1.527 1.00 33.22 H new ATOM 0 HZ2 LYS A 46 -6.323 -1.042 -3.037 1.00 33.22 H new ATOM 0 HZ3 LYS A 46 -6.259 -2.272 -1.868 1.00 33.22 H new ATOM 751 N VAL A 47 -1.954 -4.525 -7.315 1.00 60.53 N ATOM 752 CA VAL A 47 -2.803 -4.855 -8.425 1.00 74.22 C ATOM 753 C VAL A 47 -3.968 -5.679 -7.929 1.00 72.23 C ATOM 754 O VAL A 47 -3.804 -6.632 -7.168 1.00 65.42 O ATOM 755 CB VAL A 47 -2.085 -5.567 -9.619 1.00 0.22 C ATOM 756 CG1 VAL A 47 -1.561 -6.930 -9.236 1.00 23.43 C ATOM 757 CG2 VAL A 47 -3.020 -5.673 -10.813 1.00 61.43 C ATOM 0 H VAL A 47 -1.456 -5.307 -6.889 1.00 60.53 H new ATOM 0 HA VAL A 47 -3.146 -3.908 -8.841 1.00 74.22 H new ATOM 0 HB VAL A 47 -1.226 -4.955 -9.893 1.00 0.22 H new ATOM 0 HG11 VAL A 47 -1.071 -7.386 -10.096 1.00 23.43 H new ATOM 0 HG12 VAL A 47 -0.844 -6.828 -8.421 1.00 23.43 H new ATOM 0 HG13 VAL A 47 -2.389 -7.561 -8.914 1.00 23.43 H new ATOM 0 HG21 VAL A 47 -2.505 -6.171 -11.635 1.00 61.43 H new ATOM 0 HG22 VAL A 47 -3.902 -6.250 -10.535 1.00 61.43 H new ATOM 0 HG23 VAL A 47 -3.324 -4.674 -11.127 1.00 61.43 H new ATOM 767 N CYS A 48 -5.120 -5.289 -8.287 1.00 33.20 N ATOM 768 CA CYS A 48 -6.266 -6.029 -7.939 1.00 62.23 C ATOM 769 C CYS A 48 -6.930 -6.402 -9.192 1.00 13.43 C ATOM 770 O CYS A 48 -7.186 -5.548 -10.017 1.00 42.40 O ATOM 771 CB CYS A 48 -7.205 -5.236 -7.065 1.00 1.23 C ATOM 772 SG CYS A 48 -8.549 -6.255 -6.392 1.00 1.53 S ATOM 0 H CYS A 48 -5.301 -4.446 -8.831 1.00 33.20 H new ATOM 0 HA CYS A 48 -5.978 -6.908 -7.363 1.00 62.23 H new ATOM 0 HB2 CYS A 48 -6.644 -4.791 -6.244 1.00 1.23 H new ATOM 0 HB3 CYS A 48 -7.629 -4.415 -7.643 1.00 1.23 H new ATOM 777 N CYS A 49 -7.204 -7.636 -9.382 1.00 20.10 N ATOM 778 CA CYS A 49 -7.754 -7.989 -10.616 1.00 64.51 C ATOM 779 C CYS A 49 -9.008 -8.816 -10.461 1.00 23.43 C ATOM 780 O CYS A 49 -9.112 -9.695 -9.588 1.00 14.34 O ATOM 781 CB CYS A 49 -6.721 -8.625 -11.522 1.00 71.10 C ATOM 782 SG CYS A 49 -7.252 -8.680 -13.240 1.00 31.24 S ATOM 0 H CYS A 49 -7.059 -8.394 -8.715 1.00 20.10 H new ATOM 0 HA CYS A 49 -8.069 -7.072 -11.114 1.00 64.51 H new ATOM 0 HB2 CYS A 49 -5.787 -8.067 -11.451 1.00 71.10 H new ATOM 0 HB3 CYS A 49 -6.514 -9.638 -11.177 1.00 71.10 H new ATOM 787 N ASP A 50 -9.941 -8.499 -11.293 1.00 71.04 N ATOM 788 CA ASP A 50 -11.252 -9.043 -11.301 1.00 1.32 C ATOM 789 C ASP A 50 -11.646 -9.492 -12.690 1.00 15.53 C ATOM 790 O ASP A 50 -11.833 -8.689 -13.577 1.00 13.30 O ATOM 791 CB ASP A 50 -12.209 -7.966 -10.853 1.00 21.13 C ATOM 792 CG ASP A 50 -13.655 -8.345 -11.020 1.00 0.13 C ATOM 793 OD1 ASP A 50 -14.089 -9.325 -10.416 1.00 43.23 O ATOM 794 OD2 ASP A 50 -14.372 -7.630 -11.749 1.00 4.41 O ATOM 0 H ASP A 50 -9.797 -7.810 -12.031 1.00 71.04 H new ATOM 0 HA ASP A 50 -11.283 -9.906 -10.636 1.00 1.32 H new ATOM 0 HB2 ASP A 50 -12.020 -7.736 -9.804 1.00 21.13 H new ATOM 0 HB3 ASP A 50 -12.012 -7.056 -11.420 1.00 21.13 H new ATOM 799 N PRO A 51 -11.760 -10.776 -12.905 1.00 14.11 N ATOM 800 CA PRO A 51 -12.235 -11.324 -14.163 1.00 3.42 C ATOM 801 C PRO A 51 -13.776 -11.408 -14.164 1.00 1.50 C ATOM 802 O PRO A 51 -14.355 -12.314 -14.771 1.00 31.03 O ATOM 803 CB PRO A 51 -11.620 -12.722 -14.156 1.00 24.04 C ATOM 804 CG PRO A 51 -11.560 -13.100 -12.718 1.00 32.33 C ATOM 805 CD PRO A 51 -11.428 -11.814 -11.939 1.00 10.03 C ATOM 0 HA PRO A 51 -11.965 -10.730 -15.036 1.00 3.42 H new ATOM 0 HB2 PRO A 51 -12.228 -13.425 -14.725 1.00 24.04 H new ATOM 0 HB3 PRO A 51 -10.628 -12.721 -14.607 1.00 24.04 H new ATOM 0 HG2 PRO A 51 -12.458 -13.642 -12.422 1.00 32.33 H new ATOM 0 HG3 PRO A 51 -10.713 -13.758 -12.525 1.00 32.33 H new ATOM 0 HD2 PRO A 51 -12.105 -11.794 -11.085 1.00 10.03 H new ATOM 0 HD3 PRO A 51 -10.418 -11.687 -11.549 1.00 10.03 H new ATOM 1207 N THR B 210 14.252 -2.755 -10.240 1.00 74.35 N ATOM 1208 CA THR B 210 13.608 -3.666 -9.353 1.00 3.43 C ATOM 1209 C THR B 210 12.284 -4.105 -9.969 1.00 1.32 C ATOM 1210 O THR B 210 11.426 -3.265 -10.275 1.00 45.43 O ATOM 1211 CB THR B 210 13.350 -2.994 -7.990 1.00 4.32 C ATOM 1212 OG1 THR B 210 14.577 -2.388 -7.523 1.00 71.23 O ATOM 1213 CG2 THR B 210 12.895 -4.028 -6.969 1.00 11.35 C ATOM 0 HA THR B 210 14.251 -4.532 -9.197 1.00 3.43 H new ATOM 0 HB THR B 210 12.572 -2.239 -8.108 1.00 4.32 H new ATOM 0 HG1 THR B 210 15.146 -2.169 -8.290 1.00 71.23 H new ATOM 0 HG21 THR B 210 12.716 -3.539 -6.011 1.00 11.35 H new ATOM 0 HG22 THR B 210 11.974 -4.499 -7.313 1.00 11.35 H new ATOM 0 HG23 THR B 210 13.668 -4.787 -6.851 1.00 11.35 H new ATOM 1221 N CYS B 211 12.116 -5.389 -10.167 1.00 5.03 N ATOM 1222 CA CYS B 211 10.887 -5.875 -10.734 1.00 74.32 C ATOM 1223 C CYS B 211 10.275 -6.826 -9.736 1.00 23.11 C ATOM 1224 O CYS B 211 10.996 -7.576 -9.064 1.00 3.45 O ATOM 1225 CB CYS B 211 11.145 -6.659 -12.041 1.00 34.22 C ATOM 1226 SG CYS B 211 12.263 -5.869 -13.291 1.00 70.52 S ATOM 0 H CYS B 211 12.806 -6.107 -9.947 1.00 5.03 H new ATOM 0 HA CYS B 211 10.236 -5.030 -10.956 1.00 74.32 H new ATOM 0 HB2 CYS B 211 11.565 -7.629 -11.776 1.00 34.22 H new ATOM 0 HB3 CYS B 211 10.183 -6.847 -12.518 1.00 34.22 H new ATOM 1231 N VAL B 212 8.974 -6.818 -9.637 1.00 72.03 N ATOM 1232 CA VAL B 212 8.275 -7.701 -8.742 1.00 52.32 C ATOM 1233 C VAL B 212 7.052 -8.264 -9.436 1.00 70.23 C ATOM 1234 O VAL B 212 6.509 -7.642 -10.349 1.00 65.34 O ATOM 1235 CB VAL B 212 7.879 -7.024 -7.378 1.00 23.24 C ATOM 1236 CG1 VAL B 212 9.105 -6.625 -6.566 1.00 64.50 C ATOM 1237 CG2 VAL B 212 6.957 -5.821 -7.574 1.00 72.52 C ATOM 0 H VAL B 212 8.367 -6.199 -10.175 1.00 72.03 H new ATOM 0 HA VAL B 212 8.962 -8.507 -8.486 1.00 52.32 H new ATOM 0 HB VAL B 212 7.328 -7.777 -6.815 1.00 23.24 H new ATOM 0 HG11 VAL B 212 8.788 -6.161 -5.632 1.00 64.50 H new ATOM 0 HG12 VAL B 212 9.701 -7.511 -6.347 1.00 64.50 H new ATOM 0 HG13 VAL B 212 9.705 -5.917 -7.137 1.00 64.50 H new ATOM 0 HG21 VAL B 212 6.712 -5.388 -6.604 1.00 72.52 H new ATOM 0 HG22 VAL B 212 7.459 -5.074 -8.188 1.00 72.52 H new ATOM 0 HG23 VAL B 212 6.041 -6.142 -8.070 1.00 72.52 H new ATOM 1247 N SER B 213 6.630 -9.419 -9.031 1.00 33.24 N ATOM 1248 CA SER B 213 5.499 -10.044 -9.646 1.00 34.55 C ATOM 1249 C SER B 213 4.432 -10.358 -8.625 1.00 3.21 C ATOM 1250 O SER B 213 4.728 -10.802 -7.516 1.00 72.43 O ATOM 1251 CB SER B 213 5.940 -11.301 -10.415 1.00 3.42 C ATOM 1252 OG SER B 213 6.686 -12.178 -9.577 1.00 55.13 O ATOM 0 H SER B 213 7.054 -9.953 -8.272 1.00 33.24 H new ATOM 0 HA SER B 213 5.061 -9.349 -10.362 1.00 34.55 H new ATOM 0 HB2 SER B 213 5.064 -11.821 -10.802 1.00 3.42 H new ATOM 0 HB3 SER B 213 6.545 -11.012 -11.275 1.00 3.42 H new ATOM 0 HG SER B 213 6.953 -12.970 -10.088 1.00 55.13 H new ATOM 1258 N LEU B 214 3.209 -10.083 -8.979 1.00 4.01 N ATOM 1259 CA LEU B 214 2.098 -10.365 -8.153 1.00 33.54 C ATOM 1260 C LEU B 214 1.261 -11.413 -8.836 1.00 71.04 C ATOM 1261 O LEU B 214 0.740 -11.199 -9.935 1.00 12.45 O ATOM 1262 CB LEU B 214 1.296 -9.089 -7.928 1.00 22.25 C ATOM 1263 CG LEU B 214 1.990 -7.991 -7.130 1.00 55.25 C ATOM 1264 CD1 LEU B 214 1.191 -6.713 -7.141 1.00 50.31 C ATOM 1265 CD2 LEU B 214 2.142 -8.445 -5.719 1.00 24.23 C ATOM 0 H LEU B 214 2.965 -9.648 -9.869 1.00 4.01 H new ATOM 0 HA LEU B 214 2.421 -10.737 -7.181 1.00 33.54 H new ATOM 0 HB2 LEU B 214 1.018 -8.683 -8.901 1.00 22.25 H new ATOM 0 HB3 LEU B 214 0.370 -9.352 -7.416 1.00 22.25 H new ATOM 0 HG LEU B 214 2.960 -7.797 -7.587 1.00 55.25 H new ATOM 0 HD11 LEU B 214 1.715 -5.952 -6.563 1.00 50.31 H new ATOM 0 HD12 LEU B 214 1.069 -6.369 -8.168 1.00 50.31 H new ATOM 0 HD13 LEU B 214 0.211 -6.893 -6.700 1.00 50.31 H new ATOM 0 HD21 LEU B 214 2.638 -7.667 -5.138 1.00 24.23 H new ATOM 0 HD22 LEU B 214 1.159 -8.645 -5.293 1.00 24.23 H new ATOM 0 HD23 LEU B 214 2.741 -9.355 -5.692 1.00 24.23 H new ATOM 1277 N THR B 215 1.130 -12.520 -8.200 1.00 50.33 N ATOM 1278 CA THR B 215 0.432 -13.623 -8.756 1.00 55.41 C ATOM 1279 C THR B 215 -0.995 -13.671 -8.270 1.00 50.14 C ATOM 1280 O THR B 215 -1.253 -13.858 -7.073 1.00 43.44 O ATOM 1281 CB THR B 215 1.171 -14.940 -8.447 1.00 2.13 C ATOM 1282 OG1 THR B 215 1.441 -15.024 -7.035 1.00 60.33 O ATOM 1283 CG2 THR B 215 2.479 -15.004 -9.220 1.00 42.22 C ATOM 0 H THR B 215 1.508 -12.688 -7.268 1.00 50.33 H new ATOM 0 HA THR B 215 0.402 -13.494 -9.838 1.00 55.41 H new ATOM 0 HB THR B 215 0.541 -15.777 -8.749 1.00 2.13 H new ATOM 0 HG1 THR B 215 0.680 -14.663 -6.534 1.00 60.33 H new ATOM 0 HG21 THR B 215 2.991 -15.939 -8.992 1.00 42.22 H new ATOM 0 HG22 THR B 215 2.273 -14.954 -10.289 1.00 42.22 H new ATOM 0 HG23 THR B 215 3.113 -14.165 -8.933 1.00 42.22 H new ATOM 1291 N THR B 216 -1.908 -13.492 -9.178 1.00 20.23 N ATOM 1292 CA THR B 216 -3.289 -13.523 -8.863 1.00 65.12 C ATOM 1293 C THR B 216 -4.040 -14.177 -10.013 1.00 74.41 C ATOM 1294 O THR B 216 -3.800 -13.849 -11.179 1.00 71.21 O ATOM 1295 CB THR B 216 -3.828 -12.069 -8.592 1.00 51.41 C ATOM 1296 OG1 THR B 216 -5.216 -12.092 -8.259 1.00 41.03 O ATOM 1297 CG2 THR B 216 -3.608 -11.135 -9.789 1.00 52.41 C ATOM 0 H THR B 216 -1.705 -13.320 -10.163 1.00 20.23 H new ATOM 0 HA THR B 216 -3.445 -14.104 -7.954 1.00 65.12 H new ATOM 0 HB THR B 216 -3.257 -11.681 -7.748 1.00 51.41 H new ATOM 0 HG1 THR B 216 -5.535 -11.175 -8.125 1.00 41.03 H new ATOM 0 HG21 THR B 216 -3.996 -10.144 -9.554 1.00 52.41 H new ATOM 0 HG22 THR B 216 -2.542 -11.065 -10.005 1.00 52.41 H new ATOM 0 HG23 THR B 216 -4.129 -11.531 -10.660 1.00 52.41 H new ATOM 1305 N GLN B 217 -4.951 -15.089 -9.664 1.00 23.02 N ATOM 1306 CA GLN B 217 -5.792 -15.827 -10.612 1.00 41.53 C ATOM 1307 C GLN B 217 -4.960 -16.689 -11.619 1.00 51.10 C ATOM 1308 O GLN B 217 -3.779 -16.448 -11.868 1.00 24.20 O ATOM 1309 CB GLN B 217 -6.776 -14.852 -11.325 1.00 64.15 C ATOM 1310 CG GLN B 217 -7.772 -15.491 -12.300 1.00 72.21 C ATOM 1311 CD GLN B 217 -8.639 -16.567 -11.668 1.00 11.05 C ATOM 1312 OE1 GLN B 217 -8.287 -17.743 -11.672 1.00 73.42 O ATOM 1313 NE2 GLN B 217 -9.753 -16.187 -11.119 1.00 44.34 N ATOM 0 H GLN B 217 -5.129 -15.341 -8.692 1.00 23.02 H new ATOM 0 HA GLN B 217 -6.382 -16.548 -10.046 1.00 41.53 H new ATOM 0 HB2 GLN B 217 -7.340 -14.315 -10.562 1.00 64.15 H new ATOM 0 HB3 GLN B 217 -6.190 -14.111 -11.869 1.00 64.15 H new ATOM 0 HG2 GLN B 217 -8.415 -14.713 -12.711 1.00 72.21 H new ATOM 0 HG3 GLN B 217 -7.222 -15.924 -13.136 1.00 72.21 H new ATOM 0 HE21 GLN B 217 -10.018 -15.202 -11.132 1.00 44.34 H new ATOM 0 HE22 GLN B 217 -10.363 -16.873 -10.675 1.00 44.34 H new ATOM 1322 N ARG B 218 -5.570 -17.717 -12.123 1.00 31.21 N ATOM 1323 CA ARG B 218 -4.980 -18.548 -13.134 1.00 32.23 C ATOM 1324 C ARG B 218 -5.847 -18.472 -14.384 1.00 61.41 C ATOM 1325 O ARG B 218 -6.781 -19.261 -14.583 1.00 21.31 O ATOM 1326 CB ARG B 218 -4.774 -19.998 -12.635 1.00 62.14 C ATOM 1327 CG ARG B 218 -6.034 -20.661 -12.079 1.00 74.30 C ATOM 1328 CD ARG B 218 -5.763 -22.079 -11.635 1.00 44.11 C ATOM 1329 NE ARG B 218 -6.970 -22.736 -11.117 1.00 75.30 N ATOM 1330 CZ ARG B 218 -7.176 -24.056 -11.117 1.00 54.44 C ATOM 1331 NH1 ARG B 218 -6.268 -24.870 -11.654 1.00 62.15 N ATOM 1332 NH2 ARG B 218 -8.292 -24.559 -10.591 1.00 10.31 N ATOM 0 H ARG B 218 -6.506 -18.009 -11.841 1.00 31.21 H new ATOM 0 HA ARG B 218 -3.982 -18.184 -13.377 1.00 32.23 H new ATOM 0 HB2 ARG B 218 -4.394 -20.602 -13.459 1.00 62.14 H new ATOM 0 HB3 ARG B 218 -4.007 -19.997 -11.860 1.00 62.14 H new ATOM 0 HG2 ARG B 218 -6.410 -20.081 -11.237 1.00 74.30 H new ATOM 0 HG3 ARG B 218 -6.814 -20.660 -12.841 1.00 74.30 H new ATOM 0 HD2 ARG B 218 -5.371 -22.653 -12.475 1.00 44.11 H new ATOM 0 HD3 ARG B 218 -4.993 -22.076 -10.864 1.00 44.11 H new ATOM 0 HE ARG B 218 -7.703 -22.142 -10.730 1.00 75.30 H new ATOM 0 HH11 ARG B 218 -5.417 -24.485 -12.064 1.00 62.15 H new ATOM 0 HH12 ARG B 218 -6.424 -25.878 -11.655 1.00 62.15 H new ATOM 0 HH21 ARG B 218 -8.991 -23.936 -10.187 1.00 10.31 H new ATOM 0 HH22 ARG B 218 -8.447 -25.567 -10.592 1.00 10.31 H new ATOM 1346 N LEU B 219 -5.604 -17.470 -15.169 1.00 13.21 N ATOM 1347 CA LEU B 219 -6.419 -17.211 -16.329 1.00 34.33 C ATOM 1348 C LEU B 219 -5.566 -17.085 -17.567 1.00 55.53 C ATOM 1349 O LEU B 219 -4.496 -16.497 -17.516 1.00 15.42 O ATOM 1350 CB LEU B 219 -7.271 -15.920 -16.153 1.00 44.15 C ATOM 1351 CG LEU B 219 -6.545 -14.536 -16.168 1.00 64.33 C ATOM 1352 CD1 LEU B 219 -7.562 -13.422 -16.095 1.00 24.43 C ATOM 1353 CD2 LEU B 219 -5.533 -14.382 -15.031 1.00 55.22 C ATOM 0 H LEU B 219 -4.841 -16.808 -15.031 1.00 13.21 H new ATOM 0 HA LEU B 219 -7.094 -18.059 -16.442 1.00 34.33 H new ATOM 0 HB2 LEU B 219 -8.021 -15.909 -16.943 1.00 44.15 H new ATOM 0 HB3 LEU B 219 -7.806 -16.003 -15.207 1.00 44.15 H new ATOM 0 HG LEU B 219 -5.989 -14.481 -17.104 1.00 64.33 H new ATOM 0 HD11 LEU B 219 -7.049 -12.460 -16.106 1.00 24.43 H new ATOM 0 HD12 LEU B 219 -8.233 -13.485 -16.952 1.00 24.43 H new ATOM 0 HD13 LEU B 219 -8.139 -13.515 -15.175 1.00 24.43 H new ATOM 0 HD21 LEU B 219 -5.061 -13.401 -15.094 1.00 55.22 H new ATOM 0 HD22 LEU B 219 -6.044 -14.478 -14.073 1.00 55.22 H new ATOM 0 HD23 LEU B 219 -4.771 -15.157 -15.115 1.00 55.22 H new ATOM 1365 N PRO B 220 -5.996 -17.635 -18.697 1.00 42.04 N ATOM 1366 CA PRO B 220 -5.286 -17.419 -19.934 1.00 4.23 C ATOM 1367 C PRO B 220 -5.465 -15.964 -20.359 1.00 10.05 C ATOM 1368 O PRO B 220 -6.561 -15.388 -20.210 1.00 65.20 O ATOM 1369 CB PRO B 220 -5.974 -18.367 -20.927 1.00 72.41 C ATOM 1370 CG PRO B 220 -7.328 -18.621 -20.348 1.00 75.33 C ATOM 1371 CD PRO B 220 -7.175 -18.508 -18.856 1.00 63.15 C ATOM 0 HA PRO B 220 -4.215 -17.608 -19.866 1.00 4.23 H new ATOM 0 HB2 PRO B 220 -6.047 -17.916 -21.917 1.00 72.41 H new ATOM 0 HB3 PRO B 220 -5.413 -19.295 -21.040 1.00 72.41 H new ATOM 0 HG2 PRO B 220 -8.053 -17.897 -20.721 1.00 75.33 H new ATOM 0 HG3 PRO B 220 -7.692 -19.610 -20.628 1.00 75.33 H new ATOM 0 HD2 PRO B 220 -8.061 -18.074 -18.393 1.00 63.15 H new ATOM 0 HD3 PRO B 220 -7.018 -19.482 -18.393 1.00 63.15 H new ATOM 1379 N VAL B 221 -4.419 -15.375 -20.867 1.00 0.24 N ATOM 1380 CA VAL B 221 -4.467 -13.995 -21.272 1.00 62.41 C ATOM 1381 C VAL B 221 -4.219 -13.859 -22.754 1.00 25.25 C ATOM 1382 O VAL B 221 -3.560 -14.712 -23.362 1.00 75.03 O ATOM 1383 CB VAL B 221 -3.474 -13.098 -20.467 1.00 33.43 C ATOM 1384 CG1 VAL B 221 -3.854 -13.064 -18.993 1.00 61.34 C ATOM 1385 CG2 VAL B 221 -2.034 -13.583 -20.633 1.00 14.12 C ATOM 0 H VAL B 221 -3.518 -15.830 -21.012 1.00 0.24 H new ATOM 0 HA VAL B 221 -5.473 -13.640 -21.048 1.00 62.41 H new ATOM 0 HB VAL B 221 -3.540 -12.086 -20.867 1.00 33.43 H new ATOM 0 HG11 VAL B 221 -3.150 -12.434 -18.450 1.00 61.34 H new ATOM 0 HG12 VAL B 221 -4.860 -12.659 -18.886 1.00 61.34 H new ATOM 0 HG13 VAL B 221 -3.824 -14.075 -18.586 1.00 61.34 H new ATOM 0 HG21 VAL B 221 -1.365 -12.939 -20.061 1.00 14.12 H new ATOM 0 HG22 VAL B 221 -1.951 -14.607 -20.269 1.00 14.12 H new ATOM 0 HG23 VAL B 221 -1.758 -13.549 -21.687 1.00 14.12 H new ATOM 1395 N SER B 222 -4.740 -12.785 -23.321 1.00 52.41 N ATOM 1396 CA SER B 222 -4.631 -12.474 -24.738 1.00 24.51 C ATOM 1397 C SER B 222 -3.166 -12.502 -25.221 1.00 35.02 C ATOM 1398 O SER B 222 -2.879 -12.919 -26.350 1.00 64.50 O ATOM 1399 CB SER B 222 -5.234 -11.098 -24.963 1.00 13.23 C ATOM 1400 OG SER B 222 -6.572 -11.049 -24.468 1.00 70.44 O ATOM 0 H SER B 222 -5.265 -12.086 -22.796 1.00 52.41 H new ATOM 0 HA SER B 222 -5.167 -13.229 -25.313 1.00 24.51 H new ATOM 0 HB2 SER B 222 -4.628 -10.343 -24.463 1.00 13.23 H new ATOM 0 HB3 SER B 222 -5.225 -10.861 -26.027 1.00 13.23 H new ATOM 0 HG SER B 222 -6.944 -10.155 -24.620 1.00 70.44 H new ATOM 1406 N ARG B 223 -2.265 -12.060 -24.354 1.00 63.45 N ATOM 1407 CA ARG B 223 -0.844 -12.033 -24.618 1.00 44.42 C ATOM 1408 C ARG B 223 -0.177 -11.501 -23.383 1.00 5.34 C ATOM 1409 O ARG B 223 -0.811 -10.751 -22.626 1.00 33.21 O ATOM 1410 CB ARG B 223 -0.535 -11.092 -25.805 1.00 61.41 C ATOM 1411 CG ARG B 223 0.926 -11.050 -26.242 1.00 53.23 C ATOM 1412 CD ARG B 223 1.111 -10.078 -27.392 1.00 60.41 C ATOM 1413 NE ARG B 223 2.494 -10.008 -27.864 1.00 31.25 N ATOM 1414 CZ ARG B 223 2.932 -9.162 -28.812 1.00 55.34 C ATOM 1415 NH1 ARG B 223 2.093 -8.298 -29.383 1.00 31.13 N ATOM 1416 NH2 ARG B 223 4.208 -9.176 -29.183 1.00 3.11 N ATOM 0 H ARG B 223 -2.513 -11.704 -23.431 1.00 63.45 H new ATOM 0 HA ARG B 223 -0.486 -13.031 -24.869 1.00 44.42 H new ATOM 0 HB2 ARG B 223 -1.143 -11.397 -26.657 1.00 61.41 H new ATOM 0 HB3 ARG B 223 -0.846 -10.082 -25.537 1.00 61.41 H new ATOM 0 HG2 ARG B 223 1.554 -10.752 -25.402 1.00 53.23 H new ATOM 0 HG3 ARG B 223 1.250 -12.046 -26.545 1.00 53.23 H new ATOM 0 HD2 ARG B 223 0.465 -10.374 -28.219 1.00 60.41 H new ATOM 0 HD3 ARG B 223 0.790 -9.085 -27.077 1.00 60.41 H new ATOM 0 HE ARG B 223 3.172 -10.645 -27.445 1.00 31.25 H new ATOM 0 HH11 ARG B 223 1.113 -8.277 -29.101 1.00 31.13 H new ATOM 0 HH12 ARG B 223 2.431 -7.658 -30.102 1.00 31.13 H new ATOM 0 HH21 ARG B 223 4.858 -9.830 -28.748 1.00 3.11 H new ATOM 0 HH22 ARG B 223 4.537 -8.533 -29.903 1.00 3.11 H new ATOM 1430 N ILE B 224 1.054 -11.902 -23.140 1.00 24.42 N ATOM 1431 CA ILE B 224 1.821 -11.317 -22.062 1.00 41.32 C ATOM 1432 C ILE B 224 2.207 -9.935 -22.548 1.00 74.02 C ATOM 1433 O ILE B 224 3.172 -9.775 -23.301 1.00 1.24 O ATOM 1434 CB ILE B 224 3.117 -12.133 -21.737 1.00 72.12 C ATOM 1435 CG1 ILE B 224 2.810 -13.636 -21.470 1.00 43.33 C ATOM 1436 CG2 ILE B 224 3.843 -11.521 -20.541 1.00 34.43 C ATOM 1437 CD1 ILE B 224 1.925 -13.914 -20.302 1.00 24.11 C ATOM 0 H ILE B 224 1.541 -12.625 -23.670 1.00 24.42 H new ATOM 0 HA ILE B 224 1.231 -11.303 -21.145 1.00 41.32 H new ATOM 0 HB ILE B 224 3.762 -12.082 -22.614 1.00 72.12 H new ATOM 0 HG12 ILE B 224 2.348 -14.058 -22.362 1.00 43.33 H new ATOM 0 HG13 ILE B 224 3.754 -14.161 -21.321 1.00 43.33 H new ATOM 0 HG21 ILE B 224 4.742 -12.099 -20.327 1.00 34.43 H new ATOM 0 HG22 ILE B 224 4.119 -10.492 -20.771 1.00 34.43 H new ATOM 0 HG23 ILE B 224 3.187 -11.535 -19.671 1.00 34.43 H new ATOM 0 HD11 ILE B 224 1.776 -14.990 -20.206 1.00 24.11 H new ATOM 0 HD12 ILE B 224 2.390 -13.530 -19.394 1.00 24.11 H new ATOM 0 HD13 ILE B 224 0.962 -13.426 -20.451 1.00 24.11 H new ATOM 1449 N LYS B 225 1.424 -8.964 -22.191 1.00 51.23 N ATOM 1450 CA LYS B 225 1.599 -7.650 -22.711 1.00 20.33 C ATOM 1451 C LYS B 225 2.189 -6.751 -21.684 1.00 73.13 C ATOM 1452 O LYS B 225 2.155 -7.057 -20.492 1.00 52.24 O ATOM 1453 CB LYS B 225 0.269 -7.099 -23.193 1.00 35.35 C ATOM 1454 CG LYS B 225 -0.771 -6.913 -22.109 1.00 13.35 C ATOM 1455 CD LYS B 225 -2.041 -6.366 -22.699 1.00 53.31 C ATOM 1456 CE LYS B 225 -2.679 -7.365 -23.630 1.00 61.21 C ATOM 1457 NZ LYS B 225 -3.664 -6.750 -24.538 1.00 42.24 N ATOM 0 H LYS B 225 0.650 -9.063 -21.534 1.00 51.23 H new ATOM 0 HA LYS B 225 2.287 -7.701 -23.555 1.00 20.33 H new ATOM 0 HB2 LYS B 225 0.444 -6.139 -23.678 1.00 35.35 H new ATOM 0 HB3 LYS B 225 -0.133 -7.771 -23.952 1.00 35.35 H new ATOM 0 HG2 LYS B 225 -0.970 -7.866 -21.618 1.00 13.35 H new ATOM 0 HG3 LYS B 225 -0.394 -6.233 -21.345 1.00 13.35 H new ATOM 0 HD2 LYS B 225 -2.737 -6.112 -21.900 1.00 53.31 H new ATOM 0 HD3 LYS B 225 -1.827 -5.444 -23.240 1.00 53.31 H new ATOM 0 HE2 LYS B 225 -1.903 -7.853 -24.220 1.00 61.21 H new ATOM 0 HE3 LYS B 225 -3.168 -8.142 -23.042 1.00 61.21 H new ATOM 0 HZ1 LYS B 225 -3.669 -7.263 -25.443 1.00 42.24 H new ATOM 0 HZ2 LYS B 225 -4.610 -6.797 -24.108 1.00 42.24 H new ATOM 0 HZ3 LYS B 225 -3.409 -5.756 -24.705 1.00 42.24 H new ATOM 1471 N THR B 226 2.717 -5.654 -22.135 1.00 41.21 N ATOM 1472 CA THR B 226 3.324 -4.708 -21.280 1.00 25.14 C ATOM 1473 C THR B 226 2.705 -3.333 -21.427 1.00 53.42 C ATOM 1474 O THR B 226 2.385 -2.893 -22.537 1.00 53.41 O ATOM 1475 CB THR B 226 4.858 -4.640 -21.478 1.00 75.45 C ATOM 1476 OG1 THR B 226 5.181 -4.514 -22.873 1.00 24.14 O ATOM 1477 CG2 THR B 226 5.550 -5.856 -20.890 1.00 14.21 C ATOM 0 H THR B 226 2.733 -5.397 -23.122 1.00 41.21 H new ATOM 0 HA THR B 226 3.137 -5.053 -20.263 1.00 25.14 H new ATOM 0 HB THR B 226 5.219 -3.758 -20.948 1.00 75.45 H new ATOM 0 HG1 THR B 226 6.154 -4.471 -22.981 1.00 24.14 H new ATOM 0 HG21 THR B 226 6.625 -5.774 -21.047 1.00 14.21 H new ATOM 0 HG22 THR B 226 5.343 -5.911 -19.821 1.00 14.21 H new ATOM 0 HG23 THR B 226 5.179 -6.757 -21.378 1.00 14.21 H new ATOM 1485 N TYR B 227 2.482 -2.703 -20.310 1.00 35.45 N ATOM 1486 CA TYR B 227 2.031 -1.330 -20.251 1.00 21.35 C ATOM 1487 C TYR B 227 3.095 -0.503 -19.593 1.00 74.32 C ATOM 1488 O TYR B 227 3.735 -0.960 -18.648 1.00 15.14 O ATOM 1489 CB TYR B 227 0.700 -1.196 -19.482 1.00 64.23 C ATOM 1490 CG TYR B 227 -0.502 -1.706 -20.242 1.00 54.52 C ATOM 1491 CD1 TYR B 227 -0.844 -3.048 -20.246 1.00 3.20 C ATOM 1492 CD2 TYR B 227 -1.295 -0.828 -20.967 1.00 24.13 C ATOM 1493 CE1 TYR B 227 -1.941 -3.503 -20.953 1.00 53.31 C ATOM 1494 CE2 TYR B 227 -2.393 -1.269 -21.671 1.00 12.13 C ATOM 1495 CZ TYR B 227 -2.717 -2.603 -21.668 1.00 25.01 C ATOM 1496 OH TYR B 227 -3.823 -3.042 -22.397 1.00 63.02 O ATOM 0 H TYR B 227 2.609 -3.132 -19.393 1.00 35.45 H new ATOM 0 HA TYR B 227 1.851 -0.978 -21.267 1.00 21.35 H new ATOM 0 HB2 TYR B 227 0.780 -1.740 -18.541 1.00 64.23 H new ATOM 0 HB3 TYR B 227 0.541 -0.147 -19.232 1.00 64.23 H new ATOM 0 HD1 TYR B 227 -0.244 -3.751 -19.687 1.00 3.20 H new ATOM 0 HD2 TYR B 227 -1.046 0.223 -20.979 1.00 24.13 H new ATOM 0 HE1 TYR B 227 -2.192 -4.553 -20.949 1.00 53.31 H new ATOM 0 HE2 TYR B 227 -2.998 -0.567 -22.225 1.00 12.13 H new ATOM 0 HH TYR B 227 -4.344 -3.671 -21.855 1.00 63.02 H new ATOM 1506 N THR B 228 3.315 0.677 -20.093 1.00 31.21 N ATOM 1507 CA THR B 228 4.287 1.548 -19.506 1.00 14.24 C ATOM 1508 C THR B 228 3.655 2.751 -18.870 1.00 70.32 C ATOM 1509 O THR B 228 2.923 3.506 -19.509 1.00 33.22 O ATOM 1510 CB THR B 228 5.418 1.969 -20.478 1.00 14.13 C ATOM 1511 OG1 THR B 228 4.893 2.375 -21.752 1.00 74.11 O ATOM 1512 CG2 THR B 228 6.448 0.871 -20.641 1.00 51.21 C ATOM 0 H THR B 228 2.833 1.058 -20.907 1.00 31.21 H new ATOM 0 HA THR B 228 4.760 0.955 -18.723 1.00 14.24 H new ATOM 0 HB THR B 228 5.919 2.830 -20.035 1.00 14.13 H new ATOM 0 HG1 THR B 228 5.631 2.636 -22.342 1.00 74.11 H new ATOM 0 HG21 THR B 228 7.226 1.201 -21.329 1.00 51.21 H new ATOM 0 HG22 THR B 228 6.893 0.643 -19.673 1.00 51.21 H new ATOM 0 HG23 THR B 228 5.967 -0.023 -21.039 1.00 51.21 H new ATOM 1520 N ILE B 229 3.918 2.905 -17.621 1.00 35.33 N ATOM 1521 CA ILE B 229 3.464 4.035 -16.876 1.00 32.43 C ATOM 1522 C ILE B 229 4.642 4.965 -16.716 1.00 31.12 C ATOM 1523 O ILE B 229 5.743 4.511 -16.484 1.00 32.34 O ATOM 1524 CB ILE B 229 2.966 3.593 -15.481 1.00 60.02 C ATOM 1525 CG1 ILE B 229 1.744 2.688 -15.592 1.00 32.14 C ATOM 1526 CG2 ILE B 229 2.672 4.780 -14.612 1.00 14.21 C ATOM 1527 CD1 ILE B 229 1.313 2.085 -14.296 1.00 43.33 C ATOM 0 H ILE B 229 4.464 2.240 -17.074 1.00 35.33 H new ATOM 0 HA ILE B 229 2.639 4.525 -17.393 1.00 32.43 H new ATOM 0 HB ILE B 229 3.766 3.020 -15.012 1.00 60.02 H new ATOM 0 HG12 ILE B 229 0.916 3.263 -16.006 1.00 32.14 H new ATOM 0 HG13 ILE B 229 1.961 1.887 -16.299 1.00 32.14 H new ATOM 0 HG21 ILE B 229 2.324 4.440 -13.637 1.00 14.21 H new ATOM 0 HG22 ILE B 229 3.578 5.373 -14.487 1.00 14.21 H new ATOM 0 HG23 ILE B 229 1.900 5.391 -15.080 1.00 14.21 H new ATOM 0 HD11 ILE B 229 0.439 1.455 -14.461 1.00 43.33 H new ATOM 0 HD12 ILE B 229 2.124 1.481 -13.888 1.00 43.33 H new ATOM 0 HD13 ILE B 229 1.062 2.878 -13.591 1.00 43.33 H new ATOM 1539 N THR B 230 4.422 6.228 -16.881 1.00 70.23 N ATOM 1540 CA THR B 230 5.474 7.201 -16.737 1.00 45.32 C ATOM 1541 C THR B 230 5.014 8.377 -15.888 1.00 65.41 C ATOM 1542 O THR B 230 4.417 9.337 -16.395 1.00 41.41 O ATOM 1543 CB THR B 230 6.049 7.681 -18.104 1.00 22.33 C ATOM 1544 OG1 THR B 230 4.992 8.153 -18.956 1.00 22.22 O ATOM 1545 CG2 THR B 230 6.800 6.568 -18.806 1.00 51.05 C ATOM 0 H THR B 230 3.512 6.622 -17.119 1.00 70.23 H new ATOM 0 HA THR B 230 6.293 6.701 -16.220 1.00 45.32 H new ATOM 0 HB THR B 230 6.743 8.496 -17.900 1.00 22.33 H new ATOM 0 HG1 THR B 230 4.434 8.790 -18.463 1.00 22.22 H new ATOM 0 HG21 THR B 230 7.189 6.934 -19.756 1.00 51.05 H new ATOM 0 HG22 THR B 230 7.628 6.236 -18.179 1.00 51.05 H new ATOM 0 HG23 THR B 230 6.125 5.732 -18.988 1.00 51.05 H new ATOM 1553 N GLU B 231 5.247 8.299 -14.599 1.00 51.25 N ATOM 1554 CA GLU B 231 4.779 9.340 -13.730 1.00 21.41 C ATOM 1555 C GLU B 231 5.949 10.126 -13.169 1.00 13.24 C ATOM 1556 O GLU B 231 6.596 9.687 -12.231 1.00 20.30 O ATOM 1557 CB GLU B 231 3.921 8.773 -12.572 1.00 44.41 C ATOM 1558 CG GLU B 231 2.803 7.816 -13.004 1.00 54.41 C ATOM 1559 CD GLU B 231 1.930 8.369 -14.115 1.00 1.42 C ATOM 1560 OE1 GLU B 231 1.282 9.402 -13.909 1.00 40.44 O ATOM 1561 OE2 GLU B 231 1.885 7.776 -15.198 1.00 15.32 O ATOM 0 H GLU B 231 5.749 7.539 -14.140 1.00 51.25 H new ATOM 0 HA GLU B 231 4.150 10.004 -14.322 1.00 21.41 H new ATOM 0 HB2 GLU B 231 4.577 8.251 -11.875 1.00 44.41 H new ATOM 0 HB3 GLU B 231 3.476 9.606 -12.028 1.00 44.41 H new ATOM 0 HG2 GLU B 231 3.247 6.877 -13.334 1.00 54.41 H new ATOM 0 HG3 GLU B 231 2.178 7.587 -12.141 1.00 54.41 H new ATOM 1568 N GLY B 232 6.221 11.271 -13.766 1.00 12.25 N ATOM 1569 CA GLY B 232 7.278 12.153 -13.288 1.00 62.41 C ATOM 1570 C GLY B 232 8.669 11.522 -13.290 1.00 61.23 C ATOM 1571 O GLY B 232 9.242 11.283 -12.228 1.00 70.53 O ATOM 0 H GLY B 232 5.724 11.617 -14.587 1.00 12.25 H new ATOM 0 HA2 GLY B 232 7.297 13.049 -13.909 1.00 62.41 H new ATOM 0 HA3 GLY B 232 7.038 12.473 -12.274 1.00 62.41 H new ATOM 1575 N SER B 233 9.202 11.239 -14.493 1.00 23.42 N ATOM 1576 CA SER B 233 10.564 10.667 -14.679 1.00 42.34 C ATOM 1577 C SER B 233 10.666 9.217 -14.141 1.00 52.20 C ATOM 1578 O SER B 233 11.760 8.653 -13.995 1.00 63.32 O ATOM 1579 CB SER B 233 11.623 11.581 -14.032 1.00 43.42 C ATOM 1580 OG SER B 233 11.528 12.911 -14.550 1.00 21.12 O ATOM 0 H SER B 233 8.706 11.398 -15.370 1.00 23.42 H new ATOM 0 HA SER B 233 10.758 10.617 -15.750 1.00 42.34 H new ATOM 0 HB2 SER B 233 11.486 11.596 -12.951 1.00 43.42 H new ATOM 0 HB3 SER B 233 12.619 11.182 -14.221 1.00 43.42 H new ATOM 0 HG SER B 233 12.207 13.476 -14.126 1.00 21.12 H new ATOM 1586 N LEU B 234 9.532 8.635 -13.890 1.00 63.24 N ATOM 1587 CA LEU B 234 9.410 7.281 -13.408 1.00 64.32 C ATOM 1588 C LEU B 234 8.745 6.440 -14.473 1.00 14.33 C ATOM 1589 O LEU B 234 7.813 6.895 -15.107 1.00 45.24 O ATOM 1590 CB LEU B 234 8.597 7.314 -12.055 1.00 0.32 C ATOM 1591 CG LEU B 234 8.005 6.004 -11.434 1.00 13.32 C ATOM 1592 CD1 LEU B 234 6.800 5.490 -12.214 1.00 20.31 C ATOM 1593 CD2 LEU B 234 9.060 4.912 -11.287 1.00 63.05 C ATOM 0 H LEU B 234 8.633 9.100 -14.017 1.00 63.24 H new ATOM 0 HA LEU B 234 10.382 6.831 -13.205 1.00 64.32 H new ATOM 0 HB2 LEU B 234 9.249 7.757 -11.302 1.00 0.32 H new ATOM 0 HB3 LEU B 234 7.764 8.002 -12.200 1.00 0.32 H new ATOM 0 HG LEU B 234 7.661 6.270 -10.435 1.00 13.32 H new ATOM 0 HD11 LEU B 234 6.424 4.580 -11.745 1.00 20.31 H new ATOM 0 HD12 LEU B 234 6.017 6.248 -12.215 1.00 20.31 H new ATOM 0 HD13 LEU B 234 7.096 5.274 -13.240 1.00 20.31 H new ATOM 0 HD21 LEU B 234 8.605 4.022 -10.852 1.00 63.05 H new ATOM 0 HD22 LEU B 234 9.470 4.668 -12.267 1.00 63.05 H new ATOM 0 HD23 LEU B 234 9.860 5.265 -10.636 1.00 63.05 H new ATOM 1605 N ARG B 235 9.248 5.252 -14.702 1.00 22.33 N ATOM 1606 CA ARG B 235 8.591 4.333 -15.613 1.00 42.11 C ATOM 1607 C ARG B 235 8.159 3.139 -14.831 1.00 44.24 C ATOM 1608 O ARG B 235 8.757 2.813 -13.848 1.00 55.53 O ATOM 1609 CB ARG B 235 9.506 3.846 -16.748 1.00 25.33 C ATOM 1610 CG ARG B 235 10.077 4.912 -17.664 1.00 63.12 C ATOM 1611 CD ARG B 235 10.939 4.266 -18.732 1.00 23.23 C ATOM 1612 NE ARG B 235 11.395 5.216 -19.754 1.00 12.32 N ATOM 1613 CZ ARG B 235 12.099 4.870 -20.839 1.00 51.34 C ATOM 1614 NH1 ARG B 235 12.485 3.611 -21.004 1.00 41.55 N ATOM 1615 NH2 ARG B 235 12.420 5.786 -21.750 1.00 60.51 N ATOM 0 H ARG B 235 10.104 4.896 -14.276 1.00 22.33 H new ATOM 0 HA ARG B 235 7.756 4.866 -16.068 1.00 42.11 H new ATOM 0 HB2 ARG B 235 10.337 3.297 -16.304 1.00 25.33 H new ATOM 0 HB3 ARG B 235 8.945 3.137 -17.358 1.00 25.33 H new ATOM 0 HG2 ARG B 235 9.268 5.476 -18.129 1.00 63.12 H new ATOM 0 HG3 ARG B 235 10.669 5.622 -17.086 1.00 63.12 H new ATOM 0 HD2 ARG B 235 11.806 3.804 -18.261 1.00 23.23 H new ATOM 0 HD3 ARG B 235 10.374 3.467 -19.213 1.00 23.23 H new ATOM 0 HE ARG B 235 11.161 6.201 -19.630 1.00 12.32 H new ATOM 0 HH11 ARG B 235 12.245 2.908 -20.305 1.00 41.55 H new ATOM 0 HH12 ARG B 235 13.021 3.346 -21.830 1.00 41.55 H new ATOM 0 HH21 ARG B 235 12.130 6.755 -21.623 1.00 60.51 H new ATOM 0 HH22 ARG B 235 12.956 5.518 -22.575 1.00 60.51 H new ATOM 1629 N CYS B 236 7.111 2.554 -15.221 1.00 13.42 N ATOM 1630 CA CYS B 236 6.698 1.305 -14.677 1.00 72.44 C ATOM 1631 C CYS B 236 6.211 0.452 -15.806 1.00 74.32 C ATOM 1632 O CYS B 236 5.411 0.894 -16.625 1.00 24.04 O ATOM 1633 CB CYS B 236 5.627 1.480 -13.581 1.00 24.44 C ATOM 1634 SG CYS B 236 6.204 2.154 -11.983 1.00 0.32 S ATOM 0 H CYS B 236 6.491 2.923 -15.942 1.00 13.42 H new ATOM 0 HA CYS B 236 7.541 0.819 -14.185 1.00 72.44 H new ATOM 0 HB2 CYS B 236 4.847 2.136 -13.967 1.00 24.44 H new ATOM 0 HB3 CYS B 236 5.165 0.510 -13.396 1.00 24.44 H new ATOM 1639 N VAL B 237 6.706 -0.732 -15.868 1.00 63.33 N ATOM 1640 CA VAL B 237 6.376 -1.655 -16.913 1.00 1.51 C ATOM 1641 C VAL B 237 5.549 -2.750 -16.314 1.00 34.02 C ATOM 1642 O VAL B 237 5.929 -3.334 -15.298 1.00 61.31 O ATOM 1643 CB VAL B 237 7.647 -2.268 -17.548 1.00 23.13 C ATOM 1644 CG1 VAL B 237 7.301 -3.072 -18.792 1.00 43.13 C ATOM 1645 CG2 VAL B 237 8.677 -1.194 -17.851 1.00 42.04 C ATOM 0 H VAL B 237 7.366 -1.101 -15.184 1.00 63.33 H new ATOM 0 HA VAL B 237 5.832 -1.128 -17.697 1.00 1.51 H new ATOM 0 HB VAL B 237 8.089 -2.953 -16.824 1.00 23.13 H new ATOM 0 HG11 VAL B 237 8.212 -3.492 -19.219 1.00 43.13 H new ATOM 0 HG12 VAL B 237 6.619 -3.880 -18.525 1.00 43.13 H new ATOM 0 HG13 VAL B 237 6.824 -2.421 -19.525 1.00 43.13 H new ATOM 0 HG21 VAL B 237 9.560 -1.652 -18.296 1.00 42.04 H new ATOM 0 HG22 VAL B 237 8.254 -0.470 -18.547 1.00 42.04 H new ATOM 0 HG23 VAL B 237 8.958 -0.688 -16.927 1.00 42.04 H new ATOM 1655 N ILE B 238 4.446 -3.018 -16.918 1.00 0.35 N ATOM 1656 CA ILE B 238 3.517 -3.976 -16.404 1.00 32.43 C ATOM 1657 C ILE B 238 3.392 -5.120 -17.376 1.00 74.33 C ATOM 1658 O ILE B 238 2.975 -4.922 -18.494 1.00 75.13 O ATOM 1659 CB ILE B 238 2.140 -3.309 -16.296 1.00 70.52 C ATOM 1660 CG1 ILE B 238 2.252 -2.015 -15.502 1.00 63.44 C ATOM 1661 CG2 ILE B 238 1.135 -4.258 -15.635 1.00 64.24 C ATOM 1662 CD1 ILE B 238 1.040 -1.156 -15.612 1.00 32.01 C ATOM 0 H ILE B 238 4.155 -2.578 -17.791 1.00 0.35 H new ATOM 0 HA ILE B 238 3.861 -4.335 -15.434 1.00 32.43 H new ATOM 0 HB ILE B 238 1.782 -3.077 -17.299 1.00 70.52 H new ATOM 0 HG12 ILE B 238 2.427 -2.253 -14.453 1.00 63.44 H new ATOM 0 HG13 ILE B 238 3.120 -1.455 -15.851 1.00 63.44 H new ATOM 0 HG21 ILE B 238 0.163 -3.769 -15.566 1.00 64.24 H new ATOM 0 HG22 ILE B 238 1.043 -5.165 -16.233 1.00 64.24 H new ATOM 0 HG23 ILE B 238 1.482 -4.517 -14.635 1.00 64.24 H new ATOM 0 HD11 ILE B 238 1.182 -0.249 -15.024 1.00 32.01 H new ATOM 0 HD12 ILE B 238 0.876 -0.890 -16.656 1.00 32.01 H new ATOM 0 HD13 ILE B 238 0.173 -1.700 -15.236 1.00 32.01 H new ATOM 1674 N PHE B 239 3.751 -6.279 -16.938 1.00 63.13 N ATOM 1675 CA PHE B 239 3.633 -7.487 -17.702 1.00 23.14 C ATOM 1676 C PHE B 239 2.384 -8.212 -17.259 1.00 33.11 C ATOM 1677 O PHE B 239 2.287 -8.615 -16.092 1.00 41.54 O ATOM 1678 CB PHE B 239 4.837 -8.402 -17.449 1.00 4.51 C ATOM 1679 CG PHE B 239 6.151 -7.934 -17.999 1.00 71.22 C ATOM 1680 CD1 PHE B 239 6.836 -6.875 -17.422 1.00 3.34 C ATOM 1681 CD2 PHE B 239 6.718 -8.583 -19.080 1.00 11.23 C ATOM 1682 CE1 PHE B 239 8.058 -6.471 -17.920 1.00 71.55 C ATOM 1683 CE2 PHE B 239 7.936 -8.183 -19.587 1.00 15.24 C ATOM 1684 CZ PHE B 239 8.610 -7.126 -19.007 1.00 34.40 C ATOM 0 H PHE B 239 4.148 -6.422 -16.009 1.00 63.13 H new ATOM 0 HA PHE B 239 3.589 -7.236 -18.762 1.00 23.14 H new ATOM 0 HB2 PHE B 239 4.945 -8.537 -16.373 1.00 4.51 H new ATOM 0 HB3 PHE B 239 4.618 -9.382 -17.873 1.00 4.51 H new ATOM 0 HD1 PHE B 239 6.408 -6.361 -16.574 1.00 3.34 H new ATOM 0 HD2 PHE B 239 6.200 -9.415 -19.534 1.00 11.23 H new ATOM 0 HE1 PHE B 239 8.583 -5.645 -17.462 1.00 71.55 H new ATOM 0 HE2 PHE B 239 8.363 -8.695 -20.437 1.00 15.24 H new ATOM 0 HZ PHE B 239 9.565 -6.812 -19.401 1.00 34.40 H new ATOM 1694 N ILE B 240 1.427 -8.364 -18.135 1.00 21.32 N ATOM 1695 CA ILE B 240 0.220 -9.078 -17.769 1.00 23.44 C ATOM 1696 C ILE B 240 0.429 -10.507 -18.141 1.00 53.42 C ATOM 1697 O ILE B 240 0.624 -10.815 -19.315 1.00 3.54 O ATOM 1698 CB ILE B 240 -1.035 -8.578 -18.517 1.00 55.05 C ATOM 1699 CG1 ILE B 240 -1.097 -7.057 -18.499 1.00 13.15 C ATOM 1700 CG2 ILE B 240 -2.297 -9.180 -17.892 1.00 0.14 C ATOM 1701 CD1 ILE B 240 -2.394 -6.491 -19.014 1.00 64.24 C ATOM 0 H ILE B 240 1.451 -8.012 -19.092 1.00 21.32 H new ATOM 0 HA ILE B 240 0.047 -8.925 -16.704 1.00 23.44 H new ATOM 0 HB ILE B 240 -0.975 -8.902 -19.556 1.00 55.05 H new ATOM 0 HG12 ILE B 240 -0.941 -6.709 -17.478 1.00 13.15 H new ATOM 0 HG13 ILE B 240 -0.277 -6.663 -19.099 1.00 13.15 H new ATOM 0 HG21 ILE B 240 -3.175 -8.820 -18.428 1.00 0.14 H new ATOM 0 HG22 ILE B 240 -2.252 -10.267 -17.957 1.00 0.14 H new ATOM 0 HG23 ILE B 240 -2.363 -8.882 -16.846 1.00 0.14 H new ATOM 0 HD11 ILE B 240 -2.359 -5.402 -18.969 1.00 64.24 H new ATOM 0 HD12 ILE B 240 -2.544 -6.807 -20.046 1.00 64.24 H new ATOM 0 HD13 ILE B 240 -3.218 -6.854 -18.400 1.00 64.24 H new ATOM 1713 N THR B 241 0.395 -11.380 -17.183 1.00 61.54 N ATOM 1714 CA THR B 241 0.673 -12.735 -17.462 1.00 13.25 C ATOM 1715 C THR B 241 -0.516 -13.610 -17.128 1.00 23.22 C ATOM 1716 O THR B 241 -1.448 -13.178 -16.457 1.00 52.24 O ATOM 1717 CB THR B 241 1.914 -13.247 -16.698 1.00 20.01 C ATOM 1718 OG1 THR B 241 1.642 -13.257 -15.288 1.00 34.23 O ATOM 1719 CG2 THR B 241 3.120 -12.348 -16.930 1.00 73.40 C ATOM 0 H THR B 241 0.178 -11.170 -16.209 1.00 61.54 H new ATOM 0 HA THR B 241 0.883 -12.794 -18.530 1.00 13.25 H new ATOM 0 HB THR B 241 2.134 -14.250 -17.065 1.00 20.01 H new ATOM 0 HG1 THR B 241 1.174 -12.432 -15.039 1.00 34.23 H new ATOM 0 HG21 THR B 241 3.976 -12.737 -16.378 1.00 73.40 H new ATOM 0 HG22 THR B 241 3.356 -12.323 -17.994 1.00 73.40 H new ATOM 0 HG23 THR B 241 2.894 -11.339 -16.584 1.00 73.40 H new ATOM 1727 N LYS B 242 -0.450 -14.842 -17.569 1.00 32.41 N ATOM 1728 CA LYS B 242 -1.498 -15.838 -17.330 1.00 31.42 C ATOM 1729 C LYS B 242 -1.668 -16.259 -15.836 1.00 2.04 C ATOM 1730 O LYS B 242 -2.549 -17.051 -15.502 1.00 62.02 O ATOM 1731 CB LYS B 242 -1.340 -17.049 -18.294 1.00 34.03 C ATOM 1732 CG LYS B 242 0.099 -17.533 -18.537 1.00 75.14 C ATOM 1733 CD LYS B 242 0.810 -17.993 -17.281 1.00 21.31 C ATOM 1734 CE LYS B 242 2.242 -18.413 -17.598 1.00 52.33 C ATOM 1735 NZ LYS B 242 2.973 -18.863 -16.398 1.00 61.21 N ATOM 0 H LYS B 242 0.337 -15.198 -18.112 1.00 32.41 H new ATOM 0 HA LYS B 242 -2.443 -15.346 -17.562 1.00 31.42 H new ATOM 0 HB2 LYS B 242 -1.920 -17.882 -17.897 1.00 34.03 H new ATOM 0 HB3 LYS B 242 -1.780 -16.783 -19.255 1.00 34.03 H new ATOM 0 HG2 LYS B 242 0.080 -18.354 -19.254 1.00 75.14 H new ATOM 0 HG3 LYS B 242 0.672 -16.725 -18.992 1.00 75.14 H new ATOM 0 HD2 LYS B 242 0.816 -17.189 -16.545 1.00 21.31 H new ATOM 0 HD3 LYS B 242 0.270 -18.829 -16.836 1.00 21.31 H new ATOM 0 HE2 LYS B 242 2.228 -19.216 -18.334 1.00 52.33 H new ATOM 0 HE3 LYS B 242 2.772 -17.575 -18.051 1.00 52.33 H new ATOM 0 HZ1 LYS B 242 3.940 -19.138 -16.663 1.00 61.21 H new ATOM 0 HZ2 LYS B 242 3.011 -18.089 -15.704 1.00 61.21 H new ATOM 0 HZ3 LYS B 242 2.484 -19.680 -15.979 1.00 61.21 H new ATOM 1749 N ARG B 243 -0.825 -15.733 -14.953 1.00 52.05 N ATOM 1750 CA ARG B 243 -0.958 -16.000 -13.515 1.00 51.23 C ATOM 1751 C ARG B 243 -0.791 -14.746 -12.677 1.00 3.43 C ATOM 1752 O ARG B 243 -0.504 -14.821 -11.481 1.00 3.34 O ATOM 1753 CB ARG B 243 -0.006 -17.102 -13.025 1.00 42.14 C ATOM 1754 CG ARG B 243 -0.384 -18.497 -13.477 1.00 43.43 C ATOM 1755 CD ARG B 243 0.502 -19.539 -12.832 1.00 34.23 C ATOM 1756 NE ARG B 243 0.077 -20.897 -13.169 1.00 11.04 N ATOM 1757 CZ ARG B 243 0.455 -22.003 -12.513 1.00 55.24 C ATOM 1758 NH1 ARG B 243 1.288 -21.913 -11.474 1.00 75.22 N ATOM 1759 NH2 ARG B 243 -0.006 -23.193 -12.894 1.00 53.23 N ATOM 0 H ARG B 243 -0.046 -15.123 -15.200 1.00 52.05 H new ATOM 0 HA ARG B 243 -1.977 -16.362 -13.381 1.00 51.23 H new ATOM 0 HB2 ARG B 243 1.001 -16.879 -13.377 1.00 42.14 H new ATOM 0 HB3 ARG B 243 0.025 -17.081 -11.936 1.00 42.14 H new ATOM 0 HG2 ARG B 243 -1.426 -18.694 -13.224 1.00 43.43 H new ATOM 0 HG3 ARG B 243 -0.301 -18.566 -14.562 1.00 43.43 H new ATOM 0 HD2 ARG B 243 1.532 -19.390 -13.155 1.00 34.23 H new ATOM 0 HD3 ARG B 243 0.485 -19.411 -11.750 1.00 34.23 H new ATOM 0 HE ARG B 243 -0.554 -21.011 -13.962 1.00 11.04 H new ATOM 0 HH11 ARG B 243 1.638 -21.002 -11.178 1.00 75.22 H new ATOM 0 HH12 ARG B 243 1.575 -22.756 -10.976 1.00 75.22 H new ATOM 0 HH21 ARG B 243 -0.646 -23.262 -13.685 1.00 53.23 H new ATOM 0 HH22 ARG B 243 0.281 -24.035 -12.395 1.00 53.23 H new ATOM 1773 N GLY B 244 -0.978 -13.598 -13.276 1.00 52.41 N ATOM 1774 CA GLY B 244 -0.891 -12.383 -12.517 1.00 24.13 C ATOM 1775 C GLY B 244 -0.191 -11.305 -13.263 1.00 62.42 C ATOM 1776 O GLY B 244 -0.039 -11.387 -14.476 1.00 14.25 O ATOM 0 H GLY B 244 -1.187 -13.481 -14.267 1.00 52.41 H new ATOM 0 HA2 GLY B 244 -1.894 -12.048 -12.254 1.00 24.13 H new ATOM 0 HA3 GLY B 244 -0.364 -12.577 -11.583 1.00 24.13 H new ATOM 1780 N LEU B 245 0.257 -10.308 -12.567 1.00 4.24 N ATOM 1781 CA LEU B 245 0.919 -9.206 -13.209 1.00 71.53 C ATOM 1782 C LEU B 245 2.279 -8.968 -12.614 1.00 72.33 C ATOM 1783 O LEU B 245 2.487 -9.122 -11.414 1.00 53.34 O ATOM 1784 CB LEU B 245 0.087 -7.891 -13.214 1.00 20.51 C ATOM 1785 CG LEU B 245 -1.254 -7.888 -13.991 1.00 31.14 C ATOM 1786 CD1 LEU B 245 -2.345 -8.684 -13.283 1.00 74.33 C ATOM 1787 CD2 LEU B 245 -1.708 -6.468 -14.292 1.00 63.44 C ATOM 0 H LEU B 245 0.179 -10.230 -11.553 1.00 4.24 H new ATOM 0 HA LEU B 245 1.032 -9.500 -14.253 1.00 71.53 H new ATOM 0 HB2 LEU B 245 -0.125 -7.625 -12.179 1.00 20.51 H new ATOM 0 HB3 LEU B 245 0.714 -7.099 -13.625 1.00 20.51 H new ATOM 0 HG LEU B 245 -1.070 -8.394 -14.939 1.00 31.14 H new ATOM 0 HD11 LEU B 245 -3.262 -8.648 -13.871 1.00 74.33 H new ATOM 0 HD12 LEU B 245 -2.026 -9.720 -13.172 1.00 74.33 H new ATOM 0 HD13 LEU B 245 -2.529 -8.254 -12.298 1.00 74.33 H new ATOM 0 HD21 LEU B 245 -2.651 -6.496 -14.838 1.00 63.44 H new ATOM 0 HD22 LEU B 245 -1.845 -5.924 -13.357 1.00 63.44 H new ATOM 0 HD23 LEU B 245 -0.953 -5.965 -14.897 1.00 63.44 H new ATOM 1799 N LYS B 246 3.181 -8.613 -13.452 1.00 61.45 N ATOM 1800 CA LYS B 246 4.532 -8.312 -13.093 1.00 1.21 C ATOM 1801 C LYS B 246 4.805 -6.854 -13.360 1.00 53.23 C ATOM 1802 O LYS B 246 4.590 -6.373 -14.452 1.00 12.42 O ATOM 1803 CB LYS B 246 5.479 -9.203 -13.906 1.00 55.43 C ATOM 1804 CG LYS B 246 6.895 -8.673 -14.064 1.00 64.22 C ATOM 1805 CD LYS B 246 7.672 -9.532 -15.025 1.00 52.54 C ATOM 1806 CE LYS B 246 8.981 -8.900 -15.402 1.00 62.53 C ATOM 1807 NZ LYS B 246 9.791 -9.780 -16.275 1.00 1.22 N ATOM 0 H LYS B 246 2.999 -8.518 -14.451 1.00 61.45 H new ATOM 0 HA LYS B 246 4.694 -8.507 -12.033 1.00 1.21 H new ATOM 0 HB2 LYS B 246 5.526 -10.183 -13.431 1.00 55.43 H new ATOM 0 HB3 LYS B 246 5.051 -9.350 -14.898 1.00 55.43 H new ATOM 0 HG2 LYS B 246 6.867 -7.645 -14.426 1.00 64.22 H new ATOM 0 HG3 LYS B 246 7.394 -8.657 -13.095 1.00 64.22 H new ATOM 0 HD2 LYS B 246 7.855 -10.508 -14.575 1.00 52.54 H new ATOM 0 HD3 LYS B 246 7.078 -9.702 -15.923 1.00 52.54 H new ATOM 0 HE2 LYS B 246 8.794 -7.956 -15.913 1.00 62.53 H new ATOM 0 HE3 LYS B 246 9.545 -8.667 -14.499 1.00 62.53 H new ATOM 0 HZ1 LYS B 246 10.686 -9.306 -16.512 1.00 1.22 H new ATOM 0 HZ2 LYS B 246 9.992 -10.671 -15.779 1.00 1.22 H new ATOM 0 HZ3 LYS B 246 9.265 -9.982 -17.149 1.00 1.22 H new ATOM 1821 N VAL B 247 5.266 -6.165 -12.378 1.00 34.14 N ATOM 1822 CA VAL B 247 5.548 -4.778 -12.518 1.00 64.33 C ATOM 1823 C VAL B 247 7.023 -4.526 -12.266 1.00 52.34 C ATOM 1824 O VAL B 247 7.621 -5.092 -11.347 1.00 0.03 O ATOM 1825 CB VAL B 247 4.674 -3.903 -11.567 1.00 25.14 C ATOM 1826 CG1 VAL B 247 4.887 -4.281 -10.108 1.00 43.45 C ATOM 1827 CG2 VAL B 247 4.960 -2.426 -11.793 1.00 71.31 C ATOM 0 H VAL B 247 5.459 -6.546 -11.452 1.00 34.14 H new ATOM 0 HA VAL B 247 5.299 -4.488 -13.539 1.00 64.33 H new ATOM 0 HB VAL B 247 3.627 -4.094 -11.803 1.00 25.14 H new ATOM 0 HG11 VAL B 247 4.263 -3.651 -9.474 1.00 43.45 H new ATOM 0 HG12 VAL B 247 4.617 -5.327 -9.960 1.00 43.45 H new ATOM 0 HG13 VAL B 247 5.935 -4.136 -9.844 1.00 43.45 H new ATOM 0 HG21 VAL B 247 4.342 -1.829 -11.122 1.00 71.31 H new ATOM 0 HG22 VAL B 247 6.012 -2.224 -11.593 1.00 71.31 H new ATOM 0 HG23 VAL B 247 4.730 -2.165 -12.826 1.00 71.31 H new ATOM 1837 N CYS B 248 7.612 -3.743 -13.089 1.00 74.34 N ATOM 1838 CA CYS B 248 8.967 -3.380 -12.900 1.00 72.43 C ATOM 1839 C CYS B 248 9.062 -1.897 -13.079 1.00 1.31 C ATOM 1840 O CYS B 248 8.722 -1.382 -14.140 1.00 12.21 O ATOM 1841 CB CYS B 248 9.864 -4.105 -13.894 1.00 72.31 C ATOM 1842 SG CYS B 248 11.636 -3.955 -13.517 1.00 74.22 S ATOM 0 H CYS B 248 7.170 -3.335 -13.913 1.00 74.34 H new ATOM 0 HA CYS B 248 9.302 -3.664 -11.903 1.00 72.43 H new ATOM 0 HB2 CYS B 248 9.593 -5.161 -13.913 1.00 72.31 H new ATOM 0 HB3 CYS B 248 9.679 -3.710 -14.893 1.00 72.31 H new ATOM 1847 N CYS B 249 9.451 -1.210 -12.050 1.00 33.04 N ATOM 1848 CA CYS B 249 9.515 0.230 -12.126 1.00 54.34 C ATOM 1849 C CYS B 249 10.927 0.778 -12.302 1.00 10.20 C ATOM 1850 O CYS B 249 11.901 0.301 -11.680 1.00 73.45 O ATOM 1851 CB CYS B 249 8.773 0.884 -10.967 1.00 64.25 C ATOM 1852 SG CYS B 249 6.977 0.553 -10.984 1.00 61.22 S ATOM 0 H CYS B 249 9.728 -1.610 -11.154 1.00 33.04 H new ATOM 0 HA CYS B 249 8.996 0.505 -13.044 1.00 54.34 H new ATOM 0 HB2 CYS B 249 9.193 0.526 -10.027 1.00 64.25 H new ATOM 0 HB3 CYS B 249 8.938 1.961 -11.000 1.00 64.25 H new ATOM 1857 N ASP B 250 11.017 1.798 -13.135 1.00 24.11 N ATOM 1858 CA ASP B 250 12.246 2.441 -13.492 1.00 63.10 C ATOM 1859 C ASP B 250 12.213 3.875 -13.013 1.00 20.13 C ATOM 1860 O ASP B 250 11.608 4.723 -13.641 1.00 55.44 O ATOM 1861 CB ASP B 250 12.414 2.589 -15.024 1.00 73.24 C ATOM 1862 CG ASP B 250 12.220 1.355 -15.870 1.00 43.34 C ATOM 1863 OD1 ASP B 250 11.106 0.852 -15.955 1.00 50.13 O ATOM 1864 OD2 ASP B 250 13.178 0.933 -16.530 1.00 32.45 O ATOM 0 H ASP B 250 10.202 2.208 -13.592 1.00 24.11 H new ATOM 0 HA ASP B 250 13.038 1.831 -13.057 1.00 63.10 H new ATOM 0 HB2 ASP B 250 11.709 3.346 -15.368 1.00 73.24 H new ATOM 0 HB3 ASP B 250 13.415 2.974 -15.217 1.00 73.24 H new ATOM 1869 N PRO B 251 12.830 4.178 -11.904 1.00 4.13 N ATOM 1870 CA PRO B 251 13.069 5.564 -11.496 1.00 54.53 C ATOM 1871 C PRO B 251 14.239 6.120 -12.333 1.00 51.34 C ATOM 1872 O PRO B 251 14.644 7.287 -12.198 1.00 73.05 O ATOM 1873 CB PRO B 251 13.491 5.453 -10.021 1.00 51.54 C ATOM 1874 CG PRO B 251 13.321 4.012 -9.659 1.00 45.53 C ATOM 1875 CD PRO B 251 13.313 3.236 -10.946 1.00 53.21 C ATOM 0 HA PRO B 251 12.207 6.217 -11.632 1.00 54.53 H new ATOM 0 HB2 PRO B 251 14.524 5.772 -9.884 1.00 51.54 H new ATOM 0 HB3 PRO B 251 12.874 6.091 -9.388 1.00 51.54 H new ATOM 0 HG2 PRO B 251 14.132 3.678 -9.012 1.00 45.53 H new ATOM 0 HG3 PRO B 251 12.392 3.859 -9.110 1.00 45.53 H new ATOM 0 HD2 PRO B 251 14.309 2.877 -11.204 1.00 53.21 H new ATOM 0 HD3 PRO B 251 12.666 2.361 -10.883 1.00 53.21 H new