USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 27:sc= 0.168 USER MOD Single : A 13 SER OG : rot 180:sc= -0.388 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00274 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= 1.14 (180deg=0.538) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 110:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 45:sc= 0.241 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -38:sc= 1.22 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 35:sc= 0.213 USER MOD Single : B 213 SER OG : rot 180:sc= -0.0705 USER MOD Single : B 215 THR OG1 : rot 180:sc= 0 USER MOD Single : B 216 THR OG1 : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= -0.0873 K(o=-0.087,f=-1.6) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 LYS NZ :NH3+ -146:sc= 1.07 (180deg=0.774) USER MOD Single : B 226 THR OG1 : rot 38:sc= 0.00051 USER MOD Single : B 227 TYR OH : rot 43:sc= 1.29 USER MOD Single : B 228 THR OG1 : rot 180:sc= 0 USER MOD Single : B 230 THR OG1 : rot 45:sc= 0.185 USER MOD Single : B 233 SER OG : rot 180:sc= 0 USER MOD Single : B 241 THR OG1 : rot -51:sc= 1.26 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 -9.221 -11.465 -4.675 1.00 44.15 N ATOM 138 CA THR A 10 -8.069 -10.958 -3.985 1.00 24.15 C ATOM 139 C THR A 10 -7.318 -9.918 -4.820 1.00 70.31 C ATOM 140 O THR A 10 -7.359 -9.948 -6.049 1.00 41.52 O ATOM 141 CB THR A 10 -7.134 -12.163 -3.642 1.00 2.22 C ATOM 142 OG1 THR A 10 -7.884 -13.134 -2.887 1.00 73.03 O ATOM 143 CG2 THR A 10 -5.911 -11.745 -2.825 1.00 54.13 C ATOM 0 HA THR A 10 -8.392 -10.456 -3.073 1.00 24.15 H new ATOM 0 HB THR A 10 -6.776 -12.579 -4.584 1.00 2.22 H new ATOM 0 HG1 THR A 10 -8.835 -13.058 -3.110 1.00 73.03 H new ATOM 0 HG21 THR A 10 -5.297 -12.621 -2.615 1.00 54.13 H new ATOM 0 HG22 THR A 10 -5.327 -11.019 -3.390 1.00 54.13 H new ATOM 0 HG23 THR A 10 -6.236 -11.297 -1.886 1.00 54.13 H new ATOM 151 N CYS A 11 -6.650 -9.011 -4.137 1.00 64.15 N ATOM 152 CA CYS A 11 -5.812 -8.027 -4.762 1.00 52.14 C ATOM 153 C CYS A 11 -4.422 -8.279 -4.232 1.00 43.43 C ATOM 154 O CYS A 11 -4.263 -8.668 -3.067 1.00 63.11 O ATOM 155 CB CYS A 11 -6.244 -6.608 -4.341 1.00 14.43 C ATOM 156 SG CYS A 11 -8.004 -6.205 -4.655 1.00 5.23 S ATOM 0 H CYS A 11 -6.679 -8.942 -3.120 1.00 64.15 H new ATOM 0 HA CYS A 11 -5.871 -8.097 -5.848 1.00 52.14 H new ATOM 0 HB2 CYS A 11 -6.044 -6.485 -3.277 1.00 14.43 H new ATOM 0 HB3 CYS A 11 -5.622 -5.884 -4.868 1.00 14.43 H new ATOM 161 N VAL A 12 -3.434 -8.091 -5.041 1.00 13.40 N ATOM 162 CA VAL A 12 -2.081 -8.354 -4.638 1.00 73.23 C ATOM 163 C VAL A 12 -1.261 -7.073 -4.651 1.00 60.34 C ATOM 164 O VAL A 12 -1.349 -6.271 -5.573 1.00 20.34 O ATOM 165 CB VAL A 12 -1.428 -9.500 -5.487 1.00 35.20 C ATOM 166 CG1 VAL A 12 -2.092 -10.834 -5.172 1.00 64.42 C ATOM 167 CG2 VAL A 12 -1.558 -9.217 -6.983 1.00 72.35 C ATOM 0 H VAL A 12 -3.534 -7.752 -5.998 1.00 13.40 H new ATOM 0 HA VAL A 12 -2.097 -8.719 -3.611 1.00 73.23 H new ATOM 0 HB VAL A 12 -0.371 -9.545 -5.226 1.00 35.20 H new ATOM 0 HG11 VAL A 12 -1.629 -11.621 -5.768 1.00 64.42 H new ATOM 0 HG12 VAL A 12 -1.968 -11.061 -4.113 1.00 64.42 H new ATOM 0 HG13 VAL A 12 -3.154 -10.777 -5.409 1.00 64.42 H new ATOM 0 HG21 VAL A 12 -1.097 -10.027 -7.548 1.00 72.35 H new ATOM 0 HG22 VAL A 12 -2.612 -9.143 -7.249 1.00 72.35 H new ATOM 0 HG23 VAL A 12 -1.057 -8.278 -7.221 1.00 72.35 H new ATOM 177 N SER A 13 -0.514 -6.843 -3.613 1.00 74.13 N ATOM 178 CA SER A 13 0.230 -5.617 -3.509 1.00 64.44 C ATOM 179 C SER A 13 1.659 -5.869 -3.065 1.00 4.50 C ATOM 180 O SER A 13 1.904 -6.673 -2.156 1.00 30.11 O ATOM 181 CB SER A 13 -0.466 -4.707 -2.498 1.00 61.33 C ATOM 182 OG SER A 13 -1.838 -4.567 -2.824 1.00 41.25 O ATOM 0 H SER A 13 -0.402 -7.483 -2.827 1.00 74.13 H new ATOM 0 HA SER A 13 0.265 -5.146 -4.491 1.00 64.44 H new ATOM 0 HB2 SER A 13 -0.364 -5.122 -1.495 1.00 61.33 H new ATOM 0 HB3 SER A 13 0.014 -3.728 -2.489 1.00 61.33 H new ATOM 0 HG SER A 13 -2.272 -3.983 -2.168 1.00 41.25 H new ATOM 188 N LEU A 14 2.590 -5.205 -3.705 1.00 3.20 N ATOM 189 CA LEU A 14 3.988 -5.258 -3.290 1.00 14.00 C ATOM 190 C LEU A 14 4.533 -3.892 -3.045 1.00 11.14 C ATOM 191 O LEU A 14 4.240 -2.940 -3.776 1.00 50.52 O ATOM 192 CB LEU A 14 4.899 -6.044 -4.233 1.00 64.12 C ATOM 193 CG LEU A 14 4.733 -7.561 -4.216 1.00 63.12 C ATOM 194 CD1 LEU A 14 5.669 -8.212 -5.209 1.00 44.34 C ATOM 195 CD2 LEU A 14 4.977 -8.125 -2.820 1.00 52.31 C ATOM 0 H LEU A 14 2.413 -4.617 -4.519 1.00 3.20 H new ATOM 0 HA LEU A 14 3.984 -5.815 -2.353 1.00 14.00 H new ATOM 0 HB2 LEU A 14 4.727 -5.691 -5.250 1.00 64.12 H new ATOM 0 HB3 LEU A 14 5.934 -5.809 -3.985 1.00 64.12 H new ATOM 0 HG LEU A 14 3.705 -7.785 -4.502 1.00 63.12 H new ATOM 0 HD11 LEU A 14 5.535 -9.293 -5.181 1.00 44.34 H new ATOM 0 HD12 LEU A 14 5.449 -7.845 -6.211 1.00 44.34 H new ATOM 0 HD13 LEU A 14 6.700 -7.968 -4.952 1.00 44.34 H new ATOM 0 HD21 LEU A 14 4.852 -9.208 -2.838 1.00 52.31 H new ATOM 0 HD22 LEU A 14 5.991 -7.882 -2.502 1.00 52.31 H new ATOM 0 HD23 LEU A 14 4.263 -7.689 -2.121 1.00 52.31 H new ATOM 207 N THR A 15 5.320 -3.796 -2.034 1.00 74.22 N ATOM 208 CA THR A 15 5.871 -2.557 -1.633 1.00 14.55 C ATOM 209 C THR A 15 7.388 -2.573 -1.826 1.00 43.14 C ATOM 210 O THR A 15 8.076 -3.529 -1.437 1.00 3.31 O ATOM 211 CB THR A 15 5.498 -2.247 -0.166 1.00 3.04 C ATOM 212 OG1 THR A 15 4.074 -2.362 -0.016 1.00 12.30 O ATOM 213 CG2 THR A 15 5.890 -0.835 0.192 1.00 35.14 C ATOM 0 H THR A 15 5.602 -4.588 -1.456 1.00 74.22 H new ATOM 0 HA THR A 15 5.455 -1.765 -2.256 1.00 14.55 H new ATOM 0 HB THR A 15 6.022 -2.948 0.484 1.00 3.04 H new ATOM 0 HG1 THR A 15 3.826 -2.169 0.912 1.00 12.30 H new ATOM 0 HG21 THR A 15 5.620 -0.634 1.229 1.00 35.14 H new ATOM 0 HG22 THR A 15 6.966 -0.713 0.067 1.00 35.14 H new ATOM 0 HG23 THR A 15 5.368 -0.136 -0.461 1.00 35.14 H new ATOM 221 N THR A 16 7.869 -1.538 -2.426 1.00 54.41 N ATOM 222 CA THR A 16 9.248 -1.341 -2.729 1.00 71.11 C ATOM 223 C THR A 16 9.777 -0.230 -1.811 1.00 4.21 C ATOM 224 O THR A 16 8.978 0.407 -1.143 1.00 44.41 O ATOM 225 CB THR A 16 9.449 -1.028 -4.253 1.00 21.03 C ATOM 226 OG1 THR A 16 10.819 -0.741 -4.558 1.00 14.14 O ATOM 227 CG2 THR A 16 8.540 0.101 -4.739 1.00 70.24 C ATOM 0 H THR A 16 7.280 -0.765 -2.735 1.00 54.41 H new ATOM 0 HA THR A 16 9.821 -2.250 -2.543 1.00 71.11 H new ATOM 0 HB THR A 16 9.164 -1.932 -4.792 1.00 21.03 H new ATOM 0 HG1 THR A 16 10.908 -0.552 -5.516 1.00 14.14 H new ATOM 0 HG21 THR A 16 8.717 0.280 -5.800 1.00 70.24 H new ATOM 0 HG22 THR A 16 7.498 -0.180 -4.587 1.00 70.24 H new ATOM 0 HG23 THR A 16 8.756 1.010 -4.177 1.00 70.24 H new ATOM 235 N GLN A 17 11.108 -0.064 -1.721 1.00 12.44 N ATOM 236 CA GLN A 17 11.730 0.941 -0.816 1.00 23.34 C ATOM 237 C GLN A 17 10.987 2.277 -0.820 1.00 4.34 C ATOM 238 O GLN A 17 10.309 2.615 0.157 1.00 32.21 O ATOM 239 CB GLN A 17 13.191 1.188 -1.173 1.00 73.20 C ATOM 240 CG GLN A 17 14.105 0.006 -0.965 1.00 23.21 C ATOM 241 CD GLN A 17 15.534 0.329 -1.334 1.00 62.21 C ATOM 242 OE1 GLN A 17 15.799 1.149 -2.220 1.00 62.34 O ATOM 243 NE2 GLN A 17 16.460 -0.283 -0.661 1.00 74.50 N ATOM 0 H GLN A 17 11.781 -0.609 -2.260 1.00 12.44 H new ATOM 0 HA GLN A 17 11.665 0.514 0.185 1.00 23.34 H new ATOM 0 HB2 GLN A 17 13.248 1.493 -2.218 1.00 73.20 H new ATOM 0 HB3 GLN A 17 13.559 2.023 -0.577 1.00 73.20 H new ATOM 0 HG2 GLN A 17 14.061 -0.308 0.078 1.00 23.21 H new ATOM 0 HG3 GLN A 17 13.756 -0.834 -1.566 1.00 23.21 H new ATOM 0 HE21 GLN A 17 16.205 -0.954 0.064 1.00 74.50 H new ATOM 0 HE22 GLN A 17 17.443 -0.093 -0.857 1.00 74.50 H new ATOM 252 N ARG A 18 11.101 3.012 -1.917 1.00 21.43 N ATOM 253 CA ARG A 18 10.439 4.293 -2.063 1.00 30.14 C ATOM 254 C ARG A 18 10.611 4.846 -3.464 1.00 20.11 C ATOM 255 O ARG A 18 11.681 5.309 -3.844 1.00 72.14 O ATOM 256 CB ARG A 18 10.889 5.318 -0.991 1.00 41.31 C ATOM 257 CG ARG A 18 12.386 5.576 -0.920 1.00 33.44 C ATOM 258 CD ARG A 18 12.703 6.585 0.158 1.00 50.20 C ATOM 259 NE ARG A 18 14.135 6.872 0.245 1.00 62.04 N ATOM 260 CZ ARG A 18 14.665 7.844 0.981 1.00 63.45 C ATOM 261 NH1 ARG A 18 13.884 8.610 1.733 1.00 33.33 N ATOM 262 NH2 ARG A 18 15.971 8.046 0.971 1.00 55.21 N ATOM 0 H ARG A 18 11.655 2.735 -2.727 1.00 21.43 H new ATOM 0 HA ARG A 18 9.376 4.117 -1.900 1.00 30.14 H new ATOM 0 HB2 ARG A 18 10.384 6.264 -1.183 1.00 41.31 H new ATOM 0 HB3 ARG A 18 10.551 4.969 -0.015 1.00 41.31 H new ATOM 0 HG2 ARG A 18 12.912 4.643 -0.718 1.00 33.44 H new ATOM 0 HG3 ARG A 18 12.743 5.941 -1.883 1.00 33.44 H new ATOM 0 HD2 ARG A 18 12.161 7.509 -0.042 1.00 50.20 H new ATOM 0 HD3 ARG A 18 12.351 6.210 1.119 1.00 50.20 H new ATOM 0 HE ARG A 18 14.771 6.286 -0.296 1.00 62.04 H new ATOM 0 HH11 ARG A 18 12.876 8.453 1.747 1.00 33.33 H new ATOM 0 HH12 ARG A 18 14.292 9.355 2.297 1.00 33.33 H new ATOM 0 HH21 ARG A 18 16.574 7.456 0.398 1.00 55.21 H new ATOM 0 HH22 ARG A 18 16.376 8.792 1.536 1.00 55.21 H new ATOM 276 N LEU A 19 9.576 4.749 -4.236 1.00 23.10 N ATOM 277 CA LEU A 19 9.550 5.305 -5.569 1.00 65.42 C ATOM 278 C LEU A 19 8.460 6.346 -5.609 1.00 5.32 C ATOM 279 O LEU A 19 7.282 6.016 -5.670 1.00 53.13 O ATOM 280 CB LEU A 19 9.356 4.227 -6.671 1.00 61.44 C ATOM 281 CG LEU A 19 10.571 3.309 -7.008 1.00 65.54 C ATOM 282 CD1 LEU A 19 11.045 2.484 -5.825 1.00 1.14 C ATOM 283 CD2 LEU A 19 10.240 2.401 -8.174 1.00 54.32 C ATOM 0 H LEU A 19 8.712 4.279 -3.965 1.00 23.10 H new ATOM 0 HA LEU A 19 10.517 5.758 -5.787 1.00 65.42 H new ATOM 0 HB2 LEU A 19 8.525 3.588 -6.372 1.00 61.44 H new ATOM 0 HB3 LEU A 19 9.055 4.734 -7.587 1.00 61.44 H new ATOM 0 HG LEU A 19 11.392 3.973 -7.278 1.00 65.54 H new ATOM 0 HD11 LEU A 19 11.892 1.868 -6.127 1.00 1.14 H new ATOM 0 HD12 LEU A 19 11.350 3.149 -5.017 1.00 1.14 H new ATOM 0 HD13 LEU A 19 10.234 1.842 -5.481 1.00 1.14 H new ATOM 0 HD21 LEU A 19 11.098 1.767 -8.396 1.00 54.32 H new ATOM 0 HD22 LEU A 19 9.384 1.777 -7.917 1.00 54.32 H new ATOM 0 HD23 LEU A 19 9.999 3.005 -9.049 1.00 54.32 H new ATOM 295 N PRO A 20 8.841 7.622 -5.527 1.00 74.21 N ATOM 296 CA PRO A 20 7.886 8.706 -5.398 1.00 2.34 C ATOM 297 C PRO A 20 7.035 8.942 -6.638 1.00 51.23 C ATOM 298 O PRO A 20 7.518 8.896 -7.781 1.00 2.23 O ATOM 299 CB PRO A 20 8.763 9.930 -5.114 1.00 50.45 C ATOM 300 CG PRO A 20 10.090 9.594 -5.696 1.00 32.44 C ATOM 301 CD PRO A 20 10.237 8.107 -5.570 1.00 33.43 C ATOM 0 HA PRO A 20 7.157 8.482 -4.619 1.00 2.34 H new ATOM 0 HB2 PRO A 20 8.347 10.828 -5.571 1.00 50.45 H new ATOM 0 HB3 PRO A 20 8.838 10.122 -4.044 1.00 50.45 H new ATOM 0 HG2 PRO A 20 10.147 9.904 -6.739 1.00 32.44 H new ATOM 0 HG3 PRO A 20 10.890 10.111 -5.166 1.00 32.44 H new ATOM 0 HD2 PRO A 20 10.782 7.685 -6.414 1.00 33.43 H new ATOM 0 HD3 PRO A 20 10.785 7.833 -4.668 1.00 33.43 H new ATOM 309 N VAL A 21 5.783 9.222 -6.389 1.00 32.41 N ATOM 310 CA VAL A 21 4.817 9.569 -7.391 1.00 41.44 C ATOM 311 C VAL A 21 4.047 10.742 -6.848 1.00 21.51 C ATOM 312 O VAL A 21 3.908 10.869 -5.628 1.00 42.43 O ATOM 313 CB VAL A 21 3.830 8.395 -7.746 1.00 30.31 C ATOM 314 CG1 VAL A 21 4.578 7.190 -8.300 1.00 42.25 C ATOM 315 CG2 VAL A 21 2.974 7.988 -6.545 1.00 62.54 C ATOM 0 H VAL A 21 5.396 9.214 -5.445 1.00 32.41 H new ATOM 0 HA VAL A 21 5.336 9.801 -8.321 1.00 41.44 H new ATOM 0 HB VAL A 21 3.161 8.768 -8.521 1.00 30.31 H new ATOM 0 HG11 VAL A 21 3.868 6.397 -8.535 1.00 42.25 H new ATOM 0 HG12 VAL A 21 5.113 7.478 -9.205 1.00 42.25 H new ATOM 0 HG13 VAL A 21 5.290 6.831 -7.557 1.00 42.25 H new ATOM 0 HG21 VAL A 21 2.307 7.175 -6.832 1.00 62.54 H new ATOM 0 HG22 VAL A 21 3.621 7.656 -5.733 1.00 62.54 H new ATOM 0 HG23 VAL A 21 2.383 8.842 -6.213 1.00 62.54 H new ATOM 325 N SER A 22 3.587 11.601 -7.696 1.00 25.54 N ATOM 326 CA SER A 22 2.894 12.779 -7.243 1.00 3.44 C ATOM 327 C SER A 22 1.436 12.475 -6.879 1.00 21.51 C ATOM 328 O SER A 22 0.876 13.086 -5.960 1.00 12.31 O ATOM 329 CB SER A 22 2.990 13.863 -8.302 1.00 41.21 C ATOM 330 OG SER A 22 4.356 14.111 -8.626 1.00 43.13 O ATOM 0 H SER A 22 3.674 11.517 -8.709 1.00 25.54 H new ATOM 0 HA SER A 22 3.373 13.135 -6.331 1.00 3.44 H new ATOM 0 HB2 SER A 22 2.446 13.558 -9.196 1.00 41.21 H new ATOM 0 HB3 SER A 22 2.522 14.778 -7.940 1.00 41.21 H new ATOM 0 HG SER A 22 4.408 14.810 -9.311 1.00 43.13 H new ATOM 336 N ARG A 23 0.829 11.533 -7.584 1.00 12.21 N ATOM 337 CA ARG A 23 -0.556 11.171 -7.343 1.00 62.24 C ATOM 338 C ARG A 23 -0.721 9.668 -7.297 1.00 54.12 C ATOM 339 O ARG A 23 -0.106 8.937 -8.091 1.00 71.50 O ATOM 340 CB ARG A 23 -1.476 11.739 -8.448 1.00 23.50 C ATOM 341 CG ARG A 23 -1.466 13.256 -8.581 1.00 22.21 C ATOM 342 CD ARG A 23 -1.925 13.926 -7.299 1.00 75.22 C ATOM 343 NE ARG A 23 -1.883 15.381 -7.405 1.00 61.04 N ATOM 344 CZ ARG A 23 -2.075 16.223 -6.387 1.00 74.43 C ATOM 345 NH1 ARG A 23 -2.331 15.764 -5.174 1.00 72.15 N ATOM 346 NH2 ARG A 23 -2.008 17.529 -6.586 1.00 31.21 N ATOM 0 H ARG A 23 1.278 11.004 -8.331 1.00 12.21 H new ATOM 0 HA ARG A 23 -0.839 11.597 -6.381 1.00 62.24 H new ATOM 0 HB2 ARG A 23 -1.182 11.304 -9.403 1.00 23.50 H new ATOM 0 HB3 ARG A 23 -2.498 11.414 -8.251 1.00 23.50 H new ATOM 0 HG2 ARG A 23 -0.460 13.594 -8.831 1.00 22.21 H new ATOM 0 HG3 ARG A 23 -2.116 13.555 -9.403 1.00 22.21 H new ATOM 0 HD2 ARG A 23 -2.941 13.607 -7.066 1.00 75.22 H new ATOM 0 HD3 ARG A 23 -1.292 13.603 -6.473 1.00 75.22 H new ATOM 0 HE ARG A 23 -1.693 15.783 -8.323 1.00 61.04 H new ATOM 0 HH11 ARG A 23 -2.383 14.759 -5.010 1.00 72.15 H new ATOM 0 HH12 ARG A 23 -2.476 16.415 -4.402 1.00 72.15 H new ATOM 0 HH21 ARG A 23 -1.810 17.893 -7.518 1.00 31.21 H new ATOM 0 HH22 ARG A 23 -2.155 18.172 -5.808 1.00 31.21 H new ATOM 360 N ILE A 24 -1.537 9.210 -6.374 1.00 34.24 N ATOM 361 CA ILE A 24 -1.887 7.808 -6.273 1.00 65.54 C ATOM 362 C ILE A 24 -2.981 7.587 -7.288 1.00 1.24 C ATOM 363 O ILE A 24 -4.112 8.088 -7.128 1.00 21.21 O ATOM 364 CB ILE A 24 -2.433 7.447 -4.856 1.00 62.55 C ATOM 365 CG1 ILE A 24 -1.464 7.900 -3.733 1.00 60.51 C ATOM 366 CG2 ILE A 24 -2.724 5.950 -4.749 1.00 62.14 C ATOM 367 CD1 ILE A 24 -0.096 7.292 -3.783 1.00 41.11 C ATOM 0 H ILE A 24 -1.979 9.800 -5.669 1.00 34.24 H new ATOM 0 HA ILE A 24 -1.009 7.186 -6.447 1.00 65.54 H new ATOM 0 HB ILE A 24 -3.368 7.991 -4.720 1.00 62.55 H new ATOM 0 HG12 ILE A 24 -1.363 8.984 -3.778 1.00 60.51 H new ATOM 0 HG13 ILE A 24 -1.914 7.662 -2.769 1.00 60.51 H new ATOM 0 HG21 ILE A 24 -3.103 5.723 -3.753 1.00 62.14 H new ATOM 0 HG22 ILE A 24 -3.469 5.670 -5.493 1.00 62.14 H new ATOM 0 HG23 ILE A 24 -1.807 5.388 -4.925 1.00 62.14 H new ATOM 0 HD11 ILE A 24 0.502 7.674 -2.956 1.00 41.11 H new ATOM 0 HD12 ILE A 24 -0.176 6.208 -3.703 1.00 41.11 H new ATOM 0 HD13 ILE A 24 0.383 7.551 -4.727 1.00 41.11 H new ATOM 379 N LYS A 25 -2.659 6.898 -8.330 1.00 14.44 N ATOM 380 CA LYS A 25 -3.560 6.760 -9.430 1.00 52.13 C ATOM 381 C LYS A 25 -3.898 5.316 -9.674 1.00 10.41 C ATOM 382 O LYS A 25 -3.181 4.416 -9.210 1.00 12.23 O ATOM 383 CB LYS A 25 -2.917 7.385 -10.655 1.00 1.21 C ATOM 384 CG LYS A 25 -1.653 6.686 -11.108 1.00 32.45 C ATOM 385 CD LYS A 25 -0.931 7.513 -12.129 1.00 62.22 C ATOM 386 CE LYS A 25 -0.277 8.723 -11.475 1.00 32.33 C ATOM 387 NZ LYS A 25 0.121 9.757 -12.453 1.00 70.03 N ATOM 0 H LYS A 25 -1.768 6.415 -8.446 1.00 14.44 H new ATOM 0 HA LYS A 25 -4.496 7.271 -9.205 1.00 52.13 H new ATOM 0 HB2 LYS A 25 -3.637 7.380 -11.474 1.00 1.21 H new ATOM 0 HB3 LYS A 25 -2.686 8.428 -10.440 1.00 1.21 H new ATOM 0 HG2 LYS A 25 -1.003 6.507 -10.252 1.00 32.45 H new ATOM 0 HG3 LYS A 25 -1.901 5.712 -11.530 1.00 32.45 H new ATOM 0 HD2 LYS A 25 -0.173 6.907 -12.625 1.00 62.22 H new ATOM 0 HD3 LYS A 25 -1.630 7.842 -12.898 1.00 62.22 H new ATOM 0 HE2 LYS A 25 -0.968 9.159 -10.754 1.00 32.33 H new ATOM 0 HE3 LYS A 25 0.602 8.399 -10.918 1.00 32.33 H new ATOM 0 HZ1 LYS A 25 0.953 10.269 -12.097 1.00 70.03 H new ATOM 0 HZ2 LYS A 25 0.354 9.305 -13.360 1.00 70.03 H new ATOM 0 HZ3 LYS A 25 -0.664 10.425 -12.591 1.00 70.03 H new ATOM 401 N THR A 26 -4.970 5.098 -10.395 1.00 22.05 N ATOM 402 CA THR A 26 -5.422 3.784 -10.708 1.00 1.10 C ATOM 403 C THR A 26 -5.637 3.584 -12.202 1.00 12.14 C ATOM 404 O THR A 26 -6.276 4.401 -12.871 1.00 21.23 O ATOM 405 CB THR A 26 -6.701 3.407 -9.919 1.00 71.24 C ATOM 406 OG1 THR A 26 -7.671 4.478 -9.972 1.00 11.03 O ATOM 407 CG2 THR A 26 -6.387 3.059 -8.475 1.00 11.40 C ATOM 0 H THR A 26 -5.552 5.842 -10.780 1.00 22.05 H new ATOM 0 HA THR A 26 -4.623 3.110 -10.398 1.00 1.10 H new ATOM 0 HB THR A 26 -7.125 2.522 -10.394 1.00 71.24 H new ATOM 0 HG1 THR A 26 -8.472 4.219 -9.469 1.00 11.03 H new ATOM 0 HG21 THR A 26 -7.309 2.800 -7.954 1.00 11.40 H new ATOM 0 HG22 THR A 26 -5.703 2.211 -8.446 1.00 11.40 H new ATOM 0 HG23 THR A 26 -5.923 3.916 -7.987 1.00 11.40 H new ATOM 415 N TYR A 27 -5.069 2.525 -12.715 1.00 43.51 N ATOM 416 CA TYR A 27 -5.262 2.125 -14.095 1.00 41.22 C ATOM 417 C TYR A 27 -6.089 0.890 -14.126 1.00 34.50 C ATOM 418 O TYR A 27 -5.896 0.001 -13.308 1.00 32.53 O ATOM 419 CB TYR A 27 -3.922 1.890 -14.807 1.00 11.14 C ATOM 420 CG TYR A 27 -3.155 3.158 -15.039 1.00 21.30 C ATOM 421 CD1 TYR A 27 -3.345 3.895 -16.199 1.00 24.55 C ATOM 422 CD2 TYR A 27 -2.261 3.634 -14.102 1.00 1.34 C ATOM 423 CE1 TYR A 27 -2.665 5.070 -16.414 1.00 43.32 C ATOM 424 CE2 TYR A 27 -1.576 4.806 -14.307 1.00 64.32 C ATOM 425 CZ TYR A 27 -1.781 5.525 -15.465 1.00 23.12 C ATOM 426 OH TYR A 27 -1.110 6.718 -15.676 1.00 42.33 O ATOM 0 H TYR A 27 -4.453 1.907 -12.187 1.00 43.51 H new ATOM 0 HA TYR A 27 -5.772 2.929 -14.626 1.00 41.22 H new ATOM 0 HB2 TYR A 27 -3.315 1.208 -14.212 1.00 11.14 H new ATOM 0 HB3 TYR A 27 -4.105 1.402 -15.764 1.00 11.14 H new ATOM 0 HD1 TYR A 27 -4.039 3.539 -16.946 1.00 24.55 H new ATOM 0 HD2 TYR A 27 -2.097 3.075 -13.192 1.00 1.34 H new ATOM 0 HE1 TYR A 27 -2.824 5.632 -17.322 1.00 43.32 H new ATOM 0 HE2 TYR A 27 -0.879 5.163 -13.564 1.00 64.32 H new ATOM 0 HH TYR A 27 -1.448 7.398 -15.056 1.00 42.33 H new ATOM 436 N THR A 28 -7.022 0.833 -15.024 1.00 55.31 N ATOM 437 CA THR A 28 -7.867 -0.302 -15.107 1.00 41.12 C ATOM 438 C THR A 28 -7.564 -1.072 -16.391 1.00 32.03 C ATOM 439 O THR A 28 -7.473 -0.488 -17.479 1.00 4.14 O ATOM 440 CB THR A 28 -9.352 0.103 -15.039 1.00 22.52 C ATOM 441 OG1 THR A 28 -9.492 1.099 -14.004 1.00 43.41 O ATOM 442 CG2 THR A 28 -10.210 -1.105 -14.653 1.00 32.23 C ATOM 0 H THR A 28 -7.213 1.564 -15.709 1.00 55.31 H new ATOM 0 HA THR A 28 -7.671 -0.950 -14.253 1.00 41.12 H new ATOM 0 HB THR A 28 -9.673 0.482 -16.009 1.00 22.52 H new ATOM 0 HG1 THR A 28 -10.430 1.376 -13.941 1.00 43.41 H new ATOM 0 HG21 THR A 28 -11.258 -0.808 -14.608 1.00 32.23 H new ATOM 0 HG22 THR A 28 -10.088 -1.891 -15.398 1.00 32.23 H new ATOM 0 HG23 THR A 28 -9.896 -1.477 -13.678 1.00 32.23 H new ATOM 450 N ILE A 29 -7.354 -2.348 -16.234 1.00 2.10 N ATOM 451 CA ILE A 29 -7.053 -3.254 -17.319 1.00 13.23 C ATOM 452 C ILE A 29 -8.243 -4.157 -17.581 1.00 42.31 C ATOM 453 O ILE A 29 -8.842 -4.666 -16.659 1.00 42.20 O ATOM 454 CB ILE A 29 -5.804 -4.127 -16.975 1.00 51.20 C ATOM 455 CG1 ILE A 29 -4.544 -3.278 -16.921 1.00 73.33 C ATOM 456 CG2 ILE A 29 -5.640 -5.274 -17.933 1.00 34.15 C ATOM 457 CD1 ILE A 29 -3.292 -4.020 -16.543 1.00 25.44 C ATOM 0 H ILE A 29 -7.387 -2.805 -15.323 1.00 2.10 H new ATOM 0 HA ILE A 29 -6.837 -2.665 -18.210 1.00 13.23 H new ATOM 0 HB ILE A 29 -5.971 -4.553 -15.986 1.00 51.20 H new ATOM 0 HG12 ILE A 29 -4.394 -2.816 -17.897 1.00 73.33 H new ATOM 0 HG13 ILE A 29 -4.699 -2.470 -16.206 1.00 73.33 H new ATOM 0 HG21 ILE A 29 -4.760 -5.855 -17.658 1.00 34.15 H new ATOM 0 HG22 ILE A 29 -6.523 -5.911 -17.892 1.00 34.15 H new ATOM 0 HG23 ILE A 29 -5.518 -4.888 -18.945 1.00 34.15 H new ATOM 0 HD11 ILE A 29 -2.449 -3.329 -16.532 1.00 25.44 H new ATOM 0 HD12 ILE A 29 -3.414 -4.459 -15.553 1.00 25.44 H new ATOM 0 HD13 ILE A 29 -3.104 -4.810 -17.270 1.00 25.44 H new ATOM 469 N THR A 30 -8.573 -4.320 -18.816 1.00 1.43 N ATOM 470 CA THR A 30 -9.645 -5.194 -19.241 1.00 51.35 C ATOM 471 C THR A 30 -9.188 -6.053 -20.414 1.00 40.34 C ATOM 472 O THR A 30 -9.255 -5.624 -21.569 1.00 11.43 O ATOM 473 CB THR A 30 -10.954 -4.417 -19.594 1.00 33.15 C ATOM 474 OG1 THR A 30 -10.676 -3.353 -20.527 1.00 61.44 O ATOM 475 CG2 THR A 30 -11.622 -3.845 -18.349 1.00 30.45 C ATOM 0 H THR A 30 -8.103 -3.845 -19.586 1.00 1.43 H new ATOM 0 HA THR A 30 -9.889 -5.840 -18.398 1.00 51.35 H new ATOM 0 HB THR A 30 -11.640 -5.130 -20.052 1.00 33.15 H new ATOM 0 HG1 THR A 30 -10.093 -3.687 -21.240 1.00 61.44 H new ATOM 0 HG21 THR A 30 -12.529 -3.312 -18.635 1.00 30.45 H new ATOM 0 HG22 THR A 30 -11.878 -4.657 -17.668 1.00 30.45 H new ATOM 0 HG23 THR A 30 -10.938 -3.157 -17.853 1.00 30.45 H new ATOM 483 N GLU A 31 -8.660 -7.236 -20.121 1.00 24.34 N ATOM 484 CA GLU A 31 -8.133 -8.099 -21.170 1.00 24.32 C ATOM 485 C GLU A 31 -8.814 -9.457 -21.107 1.00 20.53 C ATOM 486 O GLU A 31 -8.583 -10.217 -20.162 1.00 42.03 O ATOM 487 CB GLU A 31 -6.615 -8.328 -21.001 1.00 63.41 C ATOM 488 CG GLU A 31 -5.776 -7.090 -20.703 1.00 12.23 C ATOM 489 CD GLU A 31 -5.983 -5.941 -21.663 1.00 31.42 C ATOM 490 OE1 GLU A 31 -6.171 -6.179 -22.869 1.00 21.33 O ATOM 491 OE2 GLU A 31 -5.959 -4.782 -21.219 1.00 1.11 O ATOM 0 H GLU A 31 -8.586 -7.616 -19.177 1.00 24.34 H new ATOM 0 HA GLU A 31 -8.323 -7.607 -22.124 1.00 24.32 H new ATOM 0 HB2 GLU A 31 -6.465 -9.046 -20.195 1.00 63.41 H new ATOM 0 HB3 GLU A 31 -6.234 -8.788 -21.913 1.00 63.41 H new ATOM 0 HG2 GLU A 31 -6.004 -6.748 -19.693 1.00 12.23 H new ATOM 0 HG3 GLU A 31 -4.723 -7.370 -20.715 1.00 12.23 H new ATOM 498 N GLY A 32 -9.652 -9.753 -22.081 1.00 2.20 N ATOM 499 CA GLY A 32 -10.301 -11.052 -22.141 1.00 20.13 C ATOM 500 C GLY A 32 -11.258 -11.269 -20.980 1.00 61.31 C ATOM 501 O GLY A 32 -11.203 -12.302 -20.300 1.00 22.41 O ATOM 0 H GLY A 32 -9.900 -9.117 -22.839 1.00 2.20 H new ATOM 0 HA2 GLY A 32 -10.846 -11.141 -23.081 1.00 20.13 H new ATOM 0 HA3 GLY A 32 -9.543 -11.836 -22.137 1.00 20.13 H new ATOM 505 N SER A 33 -12.124 -10.277 -20.757 1.00 32.31 N ATOM 506 CA SER A 33 -13.091 -10.276 -19.656 1.00 43.12 C ATOM 507 C SER A 33 -12.377 -10.357 -18.307 1.00 13.32 C ATOM 508 O SER A 33 -12.304 -11.418 -17.664 1.00 60.53 O ATOM 509 CB SER A 33 -14.150 -11.370 -19.823 1.00 42.43 C ATOM 510 OG SER A 33 -14.823 -11.216 -21.069 1.00 4.32 O ATOM 0 H SER A 33 -12.174 -9.443 -21.342 1.00 32.31 H new ATOM 0 HA SER A 33 -13.629 -9.328 -19.683 1.00 43.12 H new ATOM 0 HB2 SER A 33 -13.680 -12.352 -19.774 1.00 42.43 H new ATOM 0 HB3 SER A 33 -14.868 -11.319 -19.005 1.00 42.43 H new ATOM 0 HG SER A 33 -15.496 -11.921 -21.166 1.00 4.32 H new ATOM 516 N LEU A 34 -11.790 -9.248 -17.936 1.00 34.41 N ATOM 517 CA LEU A 34 -10.991 -9.137 -16.754 1.00 22.13 C ATOM 518 C LEU A 34 -10.930 -7.666 -16.414 1.00 14.35 C ATOM 519 O LEU A 34 -10.899 -6.857 -17.305 1.00 34.51 O ATOM 520 CB LEU A 34 -9.577 -9.718 -17.093 1.00 42.43 C ATOM 521 CG LEU A 34 -8.478 -9.816 -16.002 1.00 63.41 C ATOM 522 CD1 LEU A 34 -7.931 -8.454 -15.597 1.00 13.43 C ATOM 523 CD2 LEU A 34 -8.981 -10.596 -14.790 1.00 43.43 C ATOM 0 H LEU A 34 -11.859 -8.378 -18.464 1.00 34.41 H new ATOM 0 HA LEU A 34 -11.393 -9.685 -15.901 1.00 22.13 H new ATOM 0 HB2 LEU A 34 -9.729 -10.723 -17.486 1.00 42.43 H new ATOM 0 HB3 LEU A 34 -9.170 -9.116 -17.905 1.00 42.43 H new ATOM 0 HG LEU A 34 -7.644 -10.365 -16.440 1.00 63.41 H new ATOM 0 HD11 LEU A 34 -7.166 -8.582 -14.831 1.00 13.43 H new ATOM 0 HD12 LEU A 34 -7.495 -7.964 -16.467 1.00 13.43 H new ATOM 0 HD13 LEU A 34 -8.740 -7.840 -15.202 1.00 13.43 H new ATOM 0 HD21 LEU A 34 -8.192 -10.651 -14.040 1.00 43.43 H new ATOM 0 HD22 LEU A 34 -9.850 -10.091 -14.367 1.00 43.43 H new ATOM 0 HD23 LEU A 34 -9.261 -11.604 -15.096 1.00 43.43 H new ATOM 535 N ARG A 35 -10.964 -7.329 -15.154 1.00 75.24 N ATOM 536 CA ARG A 35 -10.817 -5.944 -14.733 1.00 12.30 C ATOM 537 C ARG A 35 -9.729 -5.839 -13.736 1.00 41.02 C ATOM 538 O ARG A 35 -9.832 -6.378 -12.667 1.00 71.33 O ATOM 539 CB ARG A 35 -12.062 -5.412 -14.103 1.00 1.12 C ATOM 540 CG ARG A 35 -13.235 -5.307 -15.005 1.00 40.34 C ATOM 541 CD ARG A 35 -14.399 -4.819 -14.221 1.00 62.15 C ATOM 542 NE ARG A 35 -14.187 -3.468 -13.704 1.00 55.33 N ATOM 543 CZ ARG A 35 -14.657 -3.008 -12.546 1.00 32.44 C ATOM 544 NH1 ARG A 35 -15.321 -3.815 -11.721 1.00 61.03 N ATOM 545 NH2 ARG A 35 -14.451 -1.746 -12.212 1.00 30.33 N ATOM 0 H ARG A 35 -11.093 -7.992 -14.389 1.00 75.24 H new ATOM 0 HA ARG A 35 -10.596 -5.362 -15.628 1.00 12.30 H new ATOM 0 HB2 ARG A 35 -12.327 -6.054 -13.263 1.00 1.12 H new ATOM 0 HB3 ARG A 35 -11.849 -4.424 -13.695 1.00 1.12 H new ATOM 0 HG2 ARG A 35 -13.020 -4.623 -15.826 1.00 40.34 H new ATOM 0 HG3 ARG A 35 -13.458 -6.277 -15.448 1.00 40.34 H new ATOM 0 HD2 ARG A 35 -15.289 -4.830 -14.850 1.00 62.15 H new ATOM 0 HD3 ARG A 35 -14.587 -5.499 -13.390 1.00 62.15 H new ATOM 0 HE ARG A 35 -13.636 -2.827 -14.275 1.00 55.33 H new ATOM 0 HH11 ARG A 35 -15.472 -4.791 -11.975 1.00 61.03 H new ATOM 0 HH12 ARG A 35 -15.679 -3.457 -10.835 1.00 61.03 H new ATOM 0 HH21 ARG A 35 -13.934 -1.130 -12.840 1.00 30.33 H new ATOM 0 HH22 ARG A 35 -14.809 -1.388 -11.326 1.00 30.33 H new ATOM 559 N CYS A 36 -8.713 -5.164 -14.067 1.00 3.04 N ATOM 560 CA CYS A 36 -7.621 -5.047 -13.169 1.00 14.13 C ATOM 561 C CYS A 36 -7.472 -3.620 -12.771 1.00 42.41 C ATOM 562 O CYS A 36 -7.636 -2.749 -13.588 1.00 72.25 O ATOM 563 CB CYS A 36 -6.339 -5.527 -13.793 1.00 42.44 C ATOM 564 SG CYS A 36 -5.163 -6.143 -12.547 1.00 22.03 S ATOM 0 H CYS A 36 -8.601 -4.676 -14.956 1.00 3.04 H new ATOM 0 HA CYS A 36 -7.825 -5.669 -12.297 1.00 14.13 H new ATOM 0 HB2 CYS A 36 -6.558 -6.320 -14.508 1.00 42.44 H new ATOM 0 HB3 CYS A 36 -5.880 -4.712 -14.352 1.00 42.44 H new ATOM 569 N VAL A 37 -7.177 -3.378 -11.537 1.00 25.11 N ATOM 570 CA VAL A 37 -7.018 -2.045 -11.058 1.00 64.12 C ATOM 571 C VAL A 37 -5.636 -1.928 -10.476 1.00 32.53 C ATOM 572 O VAL A 37 -5.237 -2.753 -9.652 1.00 73.02 O ATOM 573 CB VAL A 37 -8.071 -1.691 -9.984 1.00 71.34 C ATOM 574 CG1 VAL A 37 -7.981 -0.231 -9.589 1.00 42.02 C ATOM 575 CG2 VAL A 37 -9.474 -2.051 -10.450 1.00 70.42 C ATOM 0 H VAL A 37 -7.039 -4.101 -10.831 1.00 25.11 H new ATOM 0 HA VAL A 37 -7.157 -1.349 -11.885 1.00 64.12 H new ATOM 0 HB VAL A 37 -7.854 -2.287 -9.097 1.00 71.34 H new ATOM 0 HG11 VAL A 37 -8.734 -0.012 -8.832 1.00 42.02 H new ATOM 0 HG12 VAL A 37 -6.990 -0.024 -9.186 1.00 42.02 H new ATOM 0 HG13 VAL A 37 -8.154 0.394 -10.465 1.00 42.02 H new ATOM 0 HG21 VAL A 37 -10.193 -1.790 -9.674 1.00 70.42 H new ATOM 0 HG22 VAL A 37 -9.708 -1.500 -11.361 1.00 70.42 H new ATOM 0 HG23 VAL A 37 -9.528 -3.121 -10.650 1.00 70.42 H new ATOM 585 N ILE A 38 -4.917 -0.940 -10.898 1.00 62.32 N ATOM 586 CA ILE A 38 -3.558 -0.762 -10.473 1.00 25.30 C ATOM 587 C ILE A 38 -3.436 0.523 -9.690 1.00 61.40 C ATOM 588 O ILE A 38 -3.683 1.589 -10.214 1.00 62.30 O ATOM 589 CB ILE A 38 -2.632 -0.656 -11.704 1.00 14.41 C ATOM 590 CG1 ILE A 38 -2.797 -1.876 -12.600 1.00 24.12 C ATOM 591 CG2 ILE A 38 -1.169 -0.507 -11.271 1.00 11.02 C ATOM 592 CD1 ILE A 38 -2.053 -1.753 -13.899 1.00 42.05 C ATOM 0 H ILE A 38 -5.252 -0.229 -11.549 1.00 62.32 H new ATOM 0 HA ILE A 38 -3.272 -1.615 -9.857 1.00 25.30 H new ATOM 0 HB ILE A 38 -2.915 0.232 -12.269 1.00 14.41 H new ATOM 0 HG12 ILE A 38 -2.446 -2.761 -12.069 1.00 24.12 H new ATOM 0 HG13 ILE A 38 -3.856 -2.028 -12.807 1.00 24.12 H new ATOM 0 HG21 ILE A 38 -0.534 -0.434 -12.154 1.00 11.02 H new ATOM 0 HG22 ILE A 38 -1.058 0.395 -10.669 1.00 11.02 H new ATOM 0 HG23 ILE A 38 -0.874 -1.375 -10.682 1.00 11.02 H new ATOM 0 HD11 ILE A 38 -2.209 -2.653 -14.494 1.00 42.05 H new ATOM 0 HD12 ILE A 38 -2.421 -0.886 -14.448 1.00 42.05 H new ATOM 0 HD13 ILE A 38 -0.989 -1.631 -13.698 1.00 42.05 H new ATOM 604 N PHE A 39 -3.057 0.391 -8.457 1.00 64.11 N ATOM 605 CA PHE A 39 -2.832 1.487 -7.561 1.00 24.12 C ATOM 606 C PHE A 39 -1.358 1.806 -7.518 1.00 43.42 C ATOM 607 O PHE A 39 -0.561 0.998 -7.013 1.00 2.21 O ATOM 608 CB PHE A 39 -3.281 1.122 -6.151 1.00 65.53 C ATOM 609 CG PHE A 39 -4.751 1.083 -5.941 1.00 62.53 C ATOM 610 CD1 PHE A 39 -5.507 -0.006 -6.344 1.00 71.43 C ATOM 611 CD2 PHE A 39 -5.379 2.143 -5.320 1.00 43.21 C ATOM 612 CE1 PHE A 39 -6.873 -0.027 -6.128 1.00 51.32 C ATOM 613 CE2 PHE A 39 -6.732 2.135 -5.101 1.00 33.14 C ATOM 614 CZ PHE A 39 -7.487 1.048 -5.505 1.00 51.02 C ATOM 0 H PHE A 39 -2.889 -0.519 -8.028 1.00 64.11 H new ATOM 0 HA PHE A 39 -3.401 2.346 -7.917 1.00 24.12 H new ATOM 0 HB2 PHE A 39 -2.869 0.145 -5.898 1.00 65.53 H new ATOM 0 HB3 PHE A 39 -2.850 1.840 -5.453 1.00 65.53 H new ATOM 0 HD1 PHE A 39 -5.027 -0.843 -6.829 1.00 71.43 H new ATOM 0 HD2 PHE A 39 -4.795 2.993 -5.001 1.00 43.21 H new ATOM 0 HE1 PHE A 39 -7.459 -0.878 -6.444 1.00 51.32 H new ATOM 0 HE2 PHE A 39 -7.207 2.974 -4.615 1.00 33.14 H new ATOM 0 HZ PHE A 39 -8.553 1.037 -5.335 1.00 51.02 H new ATOM 624 N ILE A 40 -0.972 2.936 -8.054 1.00 72.42 N ATOM 625 CA ILE A 40 0.421 3.312 -7.999 1.00 0.41 C ATOM 626 C ILE A 40 0.594 4.173 -6.785 1.00 74.42 C ATOM 627 O ILE A 40 -0.032 5.231 -6.694 1.00 45.35 O ATOM 628 CB ILE A 40 0.885 4.148 -9.218 1.00 31.42 C ATOM 629 CG1 ILE A 40 0.286 3.608 -10.515 1.00 5.21 C ATOM 630 CG2 ILE A 40 2.413 4.157 -9.288 1.00 12.35 C ATOM 631 CD1 ILE A 40 0.880 4.197 -11.775 1.00 12.11 C ATOM 0 H ILE A 40 -1.586 3.601 -8.524 1.00 72.42 H new ATOM 0 HA ILE A 40 1.011 2.396 -7.983 1.00 0.41 H new ATOM 0 HB ILE A 40 0.531 5.171 -9.093 1.00 31.42 H new ATOM 0 HG12 ILE A 40 0.418 2.526 -10.538 1.00 5.21 H new ATOM 0 HG13 ILE A 40 -0.787 3.798 -10.511 1.00 5.21 H new ATOM 0 HG21 ILE A 40 2.734 4.746 -10.147 1.00 12.35 H new ATOM 0 HG22 ILE A 40 2.816 4.596 -8.375 1.00 12.35 H new ATOM 0 HG23 ILE A 40 2.779 3.135 -9.392 1.00 12.35 H new ATOM 0 HD11 ILE A 40 0.395 3.756 -12.646 1.00 12.11 H new ATOM 0 HD12 ILE A 40 0.725 5.276 -11.780 1.00 12.11 H new ATOM 0 HD13 ILE A 40 1.948 3.984 -11.808 1.00 12.11 H new ATOM 643 N THR A 41 1.397 3.747 -5.850 1.00 61.33 N ATOM 644 CA THR A 41 1.603 4.544 -4.697 1.00 63.14 C ATOM 645 C THR A 41 3.064 4.917 -4.595 1.00 42.21 C ATOM 646 O THR A 41 3.914 4.274 -5.204 1.00 74.34 O ATOM 647 CB THR A 41 1.130 3.857 -3.383 1.00 54.21 C ATOM 648 OG1 THR A 41 1.943 2.715 -3.090 1.00 43.12 O ATOM 649 CG2 THR A 41 -0.321 3.398 -3.486 1.00 52.30 C ATOM 0 H THR A 41 1.908 2.864 -5.871 1.00 61.33 H new ATOM 0 HA THR A 41 0.992 5.439 -4.813 1.00 63.14 H new ATOM 0 HB THR A 41 1.220 4.596 -2.587 1.00 54.21 H new ATOM 0 HG1 THR A 41 2.163 2.247 -3.923 1.00 43.12 H new ATOM 0 HG21 THR A 41 -0.619 2.923 -2.552 1.00 52.30 H new ATOM 0 HG22 THR A 41 -0.962 4.259 -3.676 1.00 52.30 H new ATOM 0 HG23 THR A 41 -0.420 2.684 -4.304 1.00 52.30 H new ATOM 657 N LYS A 42 3.359 5.929 -3.807 1.00 41.34 N ATOM 658 CA LYS A 42 4.733 6.433 -3.656 1.00 54.43 C ATOM 659 C LYS A 42 5.709 5.473 -2.920 1.00 54.12 C ATOM 660 O LYS A 42 6.866 5.826 -2.669 1.00 71.11 O ATOM 661 CB LYS A 42 4.749 7.883 -3.088 1.00 54.33 C ATOM 662 CG LYS A 42 3.888 8.129 -1.839 1.00 35.34 C ATOM 663 CD LYS A 42 4.323 7.301 -0.651 1.00 31.42 C ATOM 664 CE LYS A 42 3.449 7.575 0.551 1.00 0.01 C ATOM 665 NZ LYS A 42 3.849 6.774 1.724 1.00 73.32 N ATOM 0 H LYS A 42 2.667 6.432 -3.251 1.00 41.34 H new ATOM 0 HA LYS A 42 5.139 6.473 -4.667 1.00 54.43 H new ATOM 0 HB2 LYS A 42 5.780 8.148 -2.852 1.00 54.33 H new ATOM 0 HB3 LYS A 42 4.417 8.563 -3.873 1.00 54.33 H new ATOM 0 HG2 LYS A 42 3.934 9.186 -1.575 1.00 35.34 H new ATOM 0 HG3 LYS A 42 2.847 7.903 -2.071 1.00 35.34 H new ATOM 0 HD2 LYS A 42 4.276 6.242 -0.905 1.00 31.42 H new ATOM 0 HD3 LYS A 42 5.362 7.525 -0.408 1.00 31.42 H new ATOM 0 HE2 LYS A 42 3.500 8.635 0.802 1.00 0.01 H new ATOM 0 HE3 LYS A 42 2.411 7.357 0.301 1.00 0.01 H new ATOM 0 HZ1 LYS A 42 3.223 6.994 2.525 1.00 73.32 H new ATOM 0 HZ2 LYS A 42 3.775 5.762 1.495 1.00 73.32 H new ATOM 0 HZ3 LYS A 42 4.831 7.000 1.980 1.00 73.32 H new ATOM 679 N ARG A 43 5.240 4.286 -2.577 1.00 2.55 N ATOM 680 CA ARG A 43 6.100 3.266 -1.977 1.00 4.31 C ATOM 681 C ARG A 43 5.881 1.898 -2.592 1.00 42.11 C ATOM 682 O ARG A 43 6.549 0.957 -2.238 1.00 51.02 O ATOM 683 CB ARG A 43 5.951 3.159 -0.454 1.00 62.31 C ATOM 684 CG ARG A 43 6.483 4.333 0.336 1.00 12.32 C ATOM 685 CD ARG A 43 6.374 4.062 1.822 1.00 74.33 C ATOM 686 NE ARG A 43 6.927 5.151 2.625 1.00 15.23 N ATOM 687 CZ ARG A 43 7.119 5.108 3.946 1.00 1.03 C ATOM 688 NH1 ARG A 43 6.852 3.995 4.625 1.00 71.23 N ATOM 689 NH2 ARG A 43 7.603 6.169 4.580 1.00 54.45 N ATOM 0 H ARG A 43 4.269 3.999 -2.701 1.00 2.55 H new ATOM 0 HA ARG A 43 7.114 3.602 -2.193 1.00 4.31 H new ATOM 0 HB2 ARG A 43 4.894 3.033 -0.218 1.00 62.31 H new ATOM 0 HB3 ARG A 43 6.462 2.256 -0.119 1.00 62.31 H new ATOM 0 HG2 ARG A 43 7.524 4.518 0.069 1.00 12.32 H new ATOM 0 HG3 ARG A 43 5.924 5.234 0.082 1.00 12.32 H new ATOM 0 HD2 ARG A 43 5.327 3.914 2.086 1.00 74.33 H new ATOM 0 HD3 ARG A 43 6.897 3.136 2.060 1.00 74.33 H new ATOM 0 HE ARG A 43 7.186 6.010 2.139 1.00 15.23 H new ATOM 0 HH11 ARG A 43 6.500 3.172 4.137 1.00 71.23 H new ATOM 0 HH12 ARG A 43 7.000 3.965 5.634 1.00 71.23 H new ATOM 0 HH21 ARG A 43 7.828 7.016 4.058 1.00 54.45 H new ATOM 0 HH22 ARG A 43 7.750 6.137 5.589 1.00 54.45 H new ATOM 703 N GLY A 44 4.982 1.771 -3.511 1.00 44.31 N ATOM 704 CA GLY A 44 4.748 0.462 -4.034 1.00 74.43 C ATOM 705 C GLY A 44 3.584 0.398 -4.926 1.00 63.03 C ATOM 706 O GLY A 44 2.895 1.402 -5.144 1.00 2.21 O ATOM 0 H GLY A 44 4.416 2.523 -3.904 1.00 44.31 H new ATOM 0 HA2 GLY A 44 5.633 0.131 -4.577 1.00 74.43 H new ATOM 0 HA3 GLY A 44 4.603 -0.233 -3.207 1.00 74.43 H new ATOM 710 N LEU A 45 3.343 -0.756 -5.452 1.00 22.12 N ATOM 711 CA LEU A 45 2.261 -0.915 -6.369 1.00 22.13 C ATOM 712 C LEU A 45 1.308 -2.009 -5.968 1.00 62.52 C ATOM 713 O LEU A 45 1.708 -3.108 -5.547 1.00 73.12 O ATOM 714 CB LEU A 45 2.709 -1.061 -7.839 1.00 40.32 C ATOM 715 CG LEU A 45 3.263 0.199 -8.533 1.00 64.14 C ATOM 716 CD1 LEU A 45 4.657 0.568 -8.053 1.00 63.45 C ATOM 717 CD2 LEU A 45 3.216 0.051 -10.038 1.00 31.33 C ATOM 0 H LEU A 45 3.879 -1.603 -5.264 1.00 22.12 H new ATOM 0 HA LEU A 45 1.711 0.025 -6.312 1.00 22.13 H new ATOM 0 HB2 LEU A 45 3.474 -1.836 -7.884 1.00 40.32 H new ATOM 0 HB3 LEU A 45 1.858 -1.419 -8.418 1.00 40.32 H new ATOM 0 HG LEU A 45 2.614 1.028 -8.251 1.00 64.14 H new ATOM 0 HD11 LEU A 45 4.997 1.462 -8.575 1.00 63.45 H new ATOM 0 HD12 LEU A 45 4.633 0.761 -6.980 1.00 63.45 H new ATOM 0 HD13 LEU A 45 5.342 -0.254 -8.258 1.00 63.45 H new ATOM 0 HD21 LEU A 45 3.612 0.953 -10.505 1.00 31.33 H new ATOM 0 HD22 LEU A 45 3.817 -0.807 -10.338 1.00 31.33 H new ATOM 0 HD23 LEU A 45 2.185 -0.099 -10.357 1.00 31.33 H new ATOM 729 N LYS A 46 0.061 -1.690 -6.081 1.00 33.22 N ATOM 730 CA LYS A 46 -1.020 -2.569 -5.775 1.00 41.11 C ATOM 731 C LYS A 46 -1.801 -2.880 -7.025 1.00 53.33 C ATOM 732 O LYS A 46 -2.297 -1.996 -7.684 1.00 54.31 O ATOM 733 CB LYS A 46 -1.916 -1.929 -4.710 1.00 25.43 C ATOM 734 CG LYS A 46 -3.326 -2.497 -4.633 1.00 21.51 C ATOM 735 CD LYS A 46 -4.132 -1.778 -3.588 1.00 14.23 C ATOM 736 CE LYS A 46 -5.567 -2.209 -3.606 1.00 70.13 C ATOM 737 NZ LYS A 46 -6.351 -1.581 -2.512 1.00 40.34 N ATOM 0 H LYS A 46 -0.246 -0.772 -6.402 1.00 33.22 H new ATOM 0 HA LYS A 46 -0.629 -3.506 -5.380 1.00 41.11 H new ATOM 0 HB2 LYS A 46 -1.439 -2.046 -3.737 1.00 25.43 H new ATOM 0 HB3 LYS A 46 -1.981 -0.859 -4.906 1.00 25.43 H new ATOM 0 HG2 LYS A 46 -3.814 -2.405 -5.603 1.00 21.51 H new ATOM 0 HG3 LYS A 46 -3.283 -3.560 -4.398 1.00 21.51 H new ATOM 0 HD2 LYS A 46 -3.706 -1.970 -2.603 1.00 14.23 H new ATOM 0 HD3 LYS A 46 -4.072 -0.703 -3.757 1.00 14.23 H new ATOM 0 HE2 LYS A 46 -6.012 -1.948 -4.566 1.00 70.13 H new ATOM 0 HE3 LYS A 46 -5.621 -3.294 -3.514 1.00 70.13 H new ATOM 0 HZ1 LYS A 46 -7.338 -1.906 -2.561 1.00 40.34 H new ATOM 0 HZ2 LYS A 46 -5.943 -1.850 -1.594 1.00 40.34 H new ATOM 0 HZ3 LYS A 46 -6.322 -0.546 -2.614 1.00 40.34 H new ATOM 751 N VAL A 47 -1.902 -4.115 -7.335 1.00 2.52 N ATOM 752 CA VAL A 47 -2.612 -4.541 -8.512 1.00 13.33 C ATOM 753 C VAL A 47 -3.728 -5.505 -8.119 1.00 51.11 C ATOM 754 O VAL A 47 -3.536 -6.411 -7.309 1.00 13.43 O ATOM 755 CB VAL A 47 -1.638 -5.168 -9.555 1.00 20.00 C ATOM 756 CG1 VAL A 47 -0.910 -6.371 -8.993 1.00 1.03 C ATOM 757 CG2 VAL A 47 -2.356 -5.529 -10.827 1.00 74.13 C ATOM 0 H VAL A 47 -1.498 -4.875 -6.787 1.00 2.52 H new ATOM 0 HA VAL A 47 -3.067 -3.673 -8.990 1.00 13.33 H new ATOM 0 HB VAL A 47 -0.892 -4.409 -9.789 1.00 20.00 H new ATOM 0 HG11 VAL A 47 -0.241 -6.779 -9.751 1.00 1.03 H new ATOM 0 HG12 VAL A 47 -0.329 -6.070 -8.121 1.00 1.03 H new ATOM 0 HG13 VAL A 47 -1.635 -7.131 -8.702 1.00 1.03 H new ATOM 0 HG21 VAL A 47 -1.649 -5.964 -11.533 1.00 74.13 H new ATOM 0 HG22 VAL A 47 -3.142 -6.252 -10.609 1.00 74.13 H new ATOM 0 HG23 VAL A 47 -2.799 -4.633 -11.262 1.00 74.13 H new ATOM 767 N CYS A 48 -4.888 -5.279 -8.629 1.00 14.24 N ATOM 768 CA CYS A 48 -5.992 -6.109 -8.295 1.00 24.45 C ATOM 769 C CYS A 48 -6.737 -6.498 -9.539 1.00 45.43 C ATOM 770 O CYS A 48 -7.447 -5.679 -10.119 1.00 73.24 O ATOM 771 CB CYS A 48 -6.931 -5.370 -7.356 1.00 25.04 C ATOM 772 SG CYS A 48 -8.239 -6.411 -6.658 1.00 63.34 S ATOM 0 H CYS A 48 -5.097 -4.523 -9.281 1.00 14.24 H new ATOM 0 HA CYS A 48 -5.619 -7.007 -7.802 1.00 24.45 H new ATOM 0 HB2 CYS A 48 -6.349 -4.939 -6.541 1.00 25.04 H new ATOM 0 HB3 CYS A 48 -7.389 -4.540 -7.894 1.00 25.04 H new ATOM 777 N CYS A 49 -6.552 -7.708 -9.981 1.00 61.04 N ATOM 778 CA CYS A 49 -7.260 -8.168 -11.136 1.00 61.44 C ATOM 779 C CYS A 49 -8.492 -8.947 -10.734 1.00 21.41 C ATOM 780 O CYS A 49 -8.444 -9.802 -9.853 1.00 60.33 O ATOM 781 CB CYS A 49 -6.379 -9.000 -12.057 1.00 65.33 C ATOM 782 SG CYS A 49 -4.982 -8.133 -12.899 1.00 54.44 S ATOM 0 H CYS A 49 -5.920 -8.390 -9.561 1.00 61.04 H new ATOM 0 HA CYS A 49 -7.569 -7.284 -11.695 1.00 61.44 H new ATOM 0 HB2 CYS A 49 -5.964 -9.823 -11.475 1.00 65.33 H new ATOM 0 HB3 CYS A 49 -7.015 -9.441 -12.825 1.00 65.33 H new ATOM 787 N ASP A 50 -9.581 -8.636 -11.378 1.00 23.33 N ATOM 788 CA ASP A 50 -10.850 -9.258 -11.133 1.00 63.42 C ATOM 789 C ASP A 50 -11.401 -9.832 -12.425 1.00 22.42 C ATOM 790 O ASP A 50 -11.656 -9.101 -13.363 1.00 4.22 O ATOM 791 CB ASP A 50 -11.833 -8.233 -10.594 1.00 33.43 C ATOM 792 CG ASP A 50 -13.169 -8.843 -10.324 1.00 63.24 C ATOM 793 OD1 ASP A 50 -13.332 -9.453 -9.265 1.00 21.33 O ATOM 794 OD2 ASP A 50 -14.075 -8.704 -11.157 1.00 61.23 O ATOM 0 H ASP A 50 -9.611 -7.924 -12.107 1.00 23.33 H new ATOM 0 HA ASP A 50 -10.713 -10.056 -10.403 1.00 63.42 H new ATOM 0 HB2 ASP A 50 -11.439 -7.797 -9.676 1.00 33.43 H new ATOM 0 HB3 ASP A 50 -11.942 -7.420 -11.312 1.00 33.43 H new ATOM 799 N PRO A 51 -11.588 -11.134 -12.490 1.00 35.40 N ATOM 800 CA PRO A 51 -12.091 -11.817 -13.688 1.00 70.30 C ATOM 801 C PRO A 51 -13.609 -11.637 -13.928 1.00 73.14 C ATOM 802 O PRO A 51 -14.175 -12.312 -14.788 1.00 14.43 O ATOM 803 CB PRO A 51 -11.765 -13.277 -13.397 1.00 0.02 C ATOM 804 CG PRO A 51 -11.853 -13.364 -11.922 1.00 63.04 C ATOM 805 CD PRO A 51 -11.313 -12.065 -11.408 1.00 63.44 C ATOM 0 HA PRO A 51 -11.639 -11.416 -14.595 1.00 70.30 H new ATOM 0 HB2 PRO A 51 -12.472 -13.950 -13.882 1.00 0.02 H new ATOM 0 HB3 PRO A 51 -10.772 -13.546 -13.756 1.00 0.02 H new ATOM 0 HG2 PRO A 51 -12.883 -13.515 -11.599 1.00 63.04 H new ATOM 0 HG3 PRO A 51 -11.274 -14.206 -11.544 1.00 63.04 H new ATOM 0 HD2 PRO A 51 -11.805 -11.763 -10.483 1.00 63.44 H new ATOM 0 HD3 PRO A 51 -10.246 -12.130 -11.195 1.00 63.44 H new ATOM 1207 N THR B 210 15.154 -4.330 -10.563 1.00 5.25 N ATOM 1208 CA THR B 210 14.269 -5.318 -10.031 1.00 31.13 C ATOM 1209 C THR B 210 12.836 -5.077 -10.468 1.00 25.42 C ATOM 1210 O THR B 210 12.351 -3.935 -10.486 1.00 41.45 O ATOM 1211 CB THR B 210 14.357 -5.332 -8.493 1.00 22.13 C ATOM 1212 OG1 THR B 210 15.734 -5.468 -8.116 1.00 33.34 O ATOM 1213 CG2 THR B 210 13.572 -6.505 -7.906 1.00 44.54 C ATOM 0 HA THR B 210 14.578 -6.288 -10.421 1.00 31.13 H new ATOM 0 HB THR B 210 13.933 -4.404 -8.110 1.00 22.13 H new ATOM 0 HG1 THR B 210 16.298 -4.989 -8.759 1.00 33.34 H new ATOM 0 HG21 THR B 210 13.652 -6.489 -6.819 1.00 44.54 H new ATOM 0 HG22 THR B 210 12.524 -6.422 -8.194 1.00 44.54 H new ATOM 0 HG23 THR B 210 13.979 -7.442 -8.286 1.00 44.54 H new ATOM 1221 N CYS B 211 12.180 -6.134 -10.826 1.00 20.14 N ATOM 1222 CA CYS B 211 10.807 -6.091 -11.192 1.00 11.14 C ATOM 1223 C CYS B 211 10.083 -7.021 -10.239 1.00 73.33 C ATOM 1224 O CYS B 211 10.639 -8.056 -9.857 1.00 32.33 O ATOM 1225 CB CYS B 211 10.673 -6.617 -12.625 1.00 31.43 C ATOM 1226 SG CYS B 211 11.768 -5.782 -13.850 1.00 24.13 S ATOM 0 H CYS B 211 12.593 -7.065 -10.872 1.00 20.14 H new ATOM 0 HA CYS B 211 10.397 -5.082 -11.142 1.00 11.14 H new ATOM 0 HB2 CYS B 211 10.892 -7.685 -12.629 1.00 31.43 H new ATOM 0 HB3 CYS B 211 9.637 -6.503 -12.945 1.00 31.43 H new ATOM 1231 N VAL B 212 8.880 -6.687 -9.844 1.00 43.14 N ATOM 1232 CA VAL B 212 8.154 -7.539 -8.930 1.00 11.12 C ATOM 1233 C VAL B 212 7.015 -8.223 -9.663 1.00 51.11 C ATOM 1234 O VAL B 212 6.432 -7.657 -10.585 1.00 1.33 O ATOM 1235 CB VAL B 212 7.680 -6.808 -7.621 1.00 0.41 C ATOM 1236 CG1 VAL B 212 8.874 -6.277 -6.842 1.00 63.10 C ATOM 1237 CG2 VAL B 212 6.674 -5.681 -7.882 1.00 45.33 C ATOM 0 H VAL B 212 8.386 -5.843 -10.135 1.00 43.14 H new ATOM 0 HA VAL B 212 8.847 -8.300 -8.573 1.00 11.12 H new ATOM 0 HB VAL B 212 7.159 -7.558 -7.026 1.00 0.41 H new ATOM 0 HG11 VAL B 212 8.525 -5.775 -5.940 1.00 63.10 H new ATOM 0 HG12 VAL B 212 9.527 -7.106 -6.567 1.00 63.10 H new ATOM 0 HG13 VAL B 212 9.427 -5.570 -7.461 1.00 63.10 H new ATOM 0 HG21 VAL B 212 6.390 -5.220 -6.936 1.00 45.33 H new ATOM 0 HG22 VAL B 212 7.128 -4.931 -8.529 1.00 45.33 H new ATOM 0 HG23 VAL B 212 5.788 -6.090 -8.367 1.00 45.33 H new ATOM 1247 N SER B 213 6.731 -9.439 -9.313 1.00 23.20 N ATOM 1248 CA SER B 213 5.736 -10.186 -10.028 1.00 42.15 C ATOM 1249 C SER B 213 4.762 -10.860 -9.073 1.00 5.32 C ATOM 1250 O SER B 213 5.157 -11.632 -8.202 1.00 43.11 O ATOM 1251 CB SER B 213 6.433 -11.195 -10.937 1.00 61.03 C ATOM 1252 OG SER B 213 7.385 -10.522 -11.756 1.00 74.15 O ATOM 0 H SER B 213 7.171 -9.937 -8.539 1.00 23.20 H new ATOM 0 HA SER B 213 5.144 -9.509 -10.644 1.00 42.15 H new ATOM 0 HB2 SER B 213 6.929 -11.958 -10.337 1.00 61.03 H new ATOM 0 HB3 SER B 213 5.699 -11.706 -11.560 1.00 61.03 H new ATOM 0 HG SER B 213 7.833 -11.171 -12.338 1.00 74.15 H new ATOM 1258 N LEU B 214 3.504 -10.559 -9.246 1.00 65.02 N ATOM 1259 CA LEU B 214 2.468 -11.066 -8.409 1.00 5.33 C ATOM 1260 C LEU B 214 1.554 -11.965 -9.183 1.00 45.31 C ATOM 1261 O LEU B 214 0.919 -11.553 -10.162 1.00 35.41 O ATOM 1262 CB LEU B 214 1.708 -9.912 -7.797 1.00 21.42 C ATOM 1263 CG LEU B 214 2.457 -9.136 -6.730 1.00 45.25 C ATOM 1264 CD1 LEU B 214 1.727 -7.847 -6.399 1.00 54.05 C ATOM 1265 CD2 LEU B 214 2.578 -10.013 -5.487 1.00 62.24 C ATOM 0 H LEU B 214 3.171 -9.943 -9.988 1.00 65.02 H new ATOM 0 HA LEU B 214 2.910 -11.660 -7.609 1.00 5.33 H new ATOM 0 HB2 LEU B 214 1.424 -9.223 -8.592 1.00 21.42 H new ATOM 0 HB3 LEU B 214 0.785 -10.296 -7.363 1.00 21.42 H new ATOM 0 HG LEU B 214 3.450 -8.873 -7.095 1.00 45.25 H new ATOM 0 HD11 LEU B 214 2.278 -7.303 -5.632 1.00 54.05 H new ATOM 0 HD12 LEU B 214 1.650 -7.232 -7.296 1.00 54.05 H new ATOM 0 HD13 LEU B 214 0.727 -8.079 -6.032 1.00 54.05 H new ATOM 0 HD21 LEU B 214 3.115 -9.470 -4.709 1.00 62.24 H new ATOM 0 HD22 LEU B 214 1.583 -10.273 -5.127 1.00 62.24 H new ATOM 0 HD23 LEU B 214 3.123 -10.923 -5.736 1.00 62.24 H new ATOM 1277 N THR B 215 1.484 -13.177 -8.751 1.00 72.13 N ATOM 1278 CA THR B 215 0.684 -14.156 -9.389 1.00 55.11 C ATOM 1279 C THR B 215 -0.671 -14.187 -8.687 1.00 53.44 C ATOM 1280 O THR B 215 -0.734 -14.297 -7.449 1.00 32.13 O ATOM 1281 CB THR B 215 1.384 -15.511 -9.279 1.00 52.14 C ATOM 1282 OG1 THR B 215 2.758 -15.328 -9.648 1.00 72.44 O ATOM 1283 CG2 THR B 215 0.770 -16.501 -10.236 1.00 51.41 C ATOM 0 H THR B 215 1.989 -13.517 -7.933 1.00 72.13 H new ATOM 0 HA THR B 215 0.539 -13.925 -10.444 1.00 55.11 H new ATOM 0 HB THR B 215 1.286 -15.888 -8.261 1.00 52.14 H new ATOM 0 HG1 THR B 215 3.231 -16.184 -9.584 1.00 72.44 H new ATOM 0 HG21 THR B 215 1.280 -17.460 -10.145 1.00 51.41 H new ATOM 0 HG22 THR B 215 -0.287 -16.628 -10.000 1.00 51.41 H new ATOM 0 HG23 THR B 215 0.872 -16.132 -11.256 1.00 51.41 H new ATOM 1291 N THR B 216 -1.737 -14.076 -9.447 1.00 1.41 N ATOM 1292 CA THR B 216 -3.038 -13.954 -8.867 1.00 74.32 C ATOM 1293 C THR B 216 -4.099 -14.664 -9.703 1.00 65.34 C ATOM 1294 O THR B 216 -4.097 -14.580 -10.931 1.00 35.41 O ATOM 1295 CB THR B 216 -3.408 -12.443 -8.678 1.00 73.23 C ATOM 1296 OG1 THR B 216 -4.715 -12.303 -8.092 1.00 13.32 O ATOM 1297 CG2 THR B 216 -3.349 -11.679 -10.009 1.00 23.33 C ATOM 0 H THR B 216 -1.720 -14.069 -10.467 1.00 1.41 H new ATOM 0 HA THR B 216 -3.013 -14.439 -7.891 1.00 74.32 H new ATOM 0 HB THR B 216 -2.669 -12.012 -8.002 1.00 73.23 H new ATOM 0 HG1 THR B 216 -4.924 -11.352 -7.982 1.00 13.32 H new ATOM 0 HG21 THR B 216 -3.611 -10.634 -9.841 1.00 23.33 H new ATOM 0 HG22 THR B 216 -2.341 -11.739 -10.418 1.00 23.33 H new ATOM 0 HG23 THR B 216 -4.053 -12.121 -10.714 1.00 23.33 H new ATOM 1305 N GLN B 217 -4.972 -15.373 -9.001 1.00 33.53 N ATOM 1306 CA GLN B 217 -6.133 -16.083 -9.544 1.00 62.22 C ATOM 1307 C GLN B 217 -5.934 -16.823 -10.866 1.00 24.42 C ATOM 1308 O GLN B 217 -5.378 -17.929 -10.891 1.00 3.41 O ATOM 1309 CB GLN B 217 -7.385 -15.223 -9.567 1.00 54.13 C ATOM 1310 CG GLN B 217 -7.894 -14.857 -8.196 1.00 23.35 C ATOM 1311 CD GLN B 217 -9.147 -14.033 -8.264 1.00 65.21 C ATOM 1312 OE1 GLN B 217 -9.346 -13.264 -9.192 1.00 54.24 O ATOM 1313 NE2 GLN B 217 -10.013 -14.219 -7.318 1.00 21.44 N ATOM 0 H GLN B 217 -4.891 -15.477 -7.990 1.00 33.53 H new ATOM 0 HA GLN B 217 -6.273 -16.887 -8.821 1.00 62.22 H new ATOM 0 HB2 GLN B 217 -7.177 -14.309 -10.124 1.00 54.13 H new ATOM 0 HB3 GLN B 217 -8.170 -15.753 -10.107 1.00 54.13 H new ATOM 0 HG2 GLN B 217 -8.088 -15.766 -7.627 1.00 23.35 H new ATOM 0 HG3 GLN B 217 -7.124 -14.303 -7.659 1.00 23.35 H new ATOM 0 HE21 GLN B 217 -9.809 -14.870 -6.560 1.00 21.44 H new ATOM 0 HE22 GLN B 217 -10.899 -13.714 -7.331 1.00 21.44 H new ATOM 1322 N ARG B 218 -6.360 -16.196 -11.953 1.00 2.04 N ATOM 1323 CA ARG B 218 -6.371 -16.821 -13.261 1.00 41.03 C ATOM 1324 C ARG B 218 -6.714 -15.773 -14.335 1.00 34.23 C ATOM 1325 O ARG B 218 -7.844 -15.267 -14.404 1.00 75.15 O ATOM 1326 CB ARG B 218 -7.406 -17.994 -13.265 1.00 3.31 C ATOM 1327 CG ARG B 218 -8.850 -17.566 -12.964 1.00 24.33 C ATOM 1328 CD ARG B 218 -9.784 -18.743 -12.778 1.00 54.24 C ATOM 1329 NE ARG B 218 -11.190 -18.305 -12.664 1.00 60.23 N ATOM 1330 CZ ARG B 218 -11.906 -18.216 -11.525 1.00 3.24 C ATOM 1331 NH1 ARG B 218 -11.332 -18.417 -10.349 1.00 45.32 N ATOM 1332 NH2 ARG B 218 -13.191 -17.894 -11.579 1.00 13.13 N ATOM 0 H ARG B 218 -6.708 -15.237 -11.949 1.00 2.04 H new ATOM 0 HA ARG B 218 -5.386 -17.228 -13.488 1.00 41.03 H new ATOM 0 HB2 ARG B 218 -7.380 -18.482 -14.239 1.00 3.31 H new ATOM 0 HB3 ARG B 218 -7.099 -18.736 -12.528 1.00 3.31 H new ATOM 0 HG2 ARG B 218 -8.862 -16.953 -12.063 1.00 24.33 H new ATOM 0 HG3 ARG B 218 -9.217 -16.942 -13.779 1.00 24.33 H new ATOM 0 HD2 ARG B 218 -9.682 -19.427 -13.621 1.00 54.24 H new ATOM 0 HD3 ARG B 218 -9.500 -19.296 -11.883 1.00 54.24 H new ATOM 0 HE ARG B 218 -11.664 -18.045 -13.529 1.00 60.23 H new ATOM 0 HH11 ARG B 218 -10.338 -18.642 -10.298 1.00 45.32 H new ATOM 0 HH12 ARG B 218 -11.883 -18.347 -9.494 1.00 45.32 H new ATOM 0 HH21 ARG B 218 -13.634 -17.715 -12.480 1.00 13.13 H new ATOM 0 HH22 ARG B 218 -13.736 -17.826 -10.720 1.00 13.13 H new ATOM 1346 N LEU B 219 -5.742 -15.393 -15.110 1.00 62.53 N ATOM 1347 CA LEU B 219 -5.977 -14.452 -16.186 1.00 63.11 C ATOM 1348 C LEU B 219 -5.480 -15.025 -17.475 1.00 21.35 C ATOM 1349 O LEU B 219 -4.303 -14.931 -17.760 1.00 5.24 O ATOM 1350 CB LEU B 219 -5.267 -13.095 -15.981 1.00 44.22 C ATOM 1351 CG LEU B 219 -5.674 -12.198 -14.811 1.00 4.52 C ATOM 1352 CD1 LEU B 219 -5.278 -12.778 -13.460 1.00 74.31 C ATOM 1353 CD2 LEU B 219 -5.068 -10.838 -15.007 1.00 21.00 C ATOM 0 H LEU B 219 -4.778 -15.714 -15.025 1.00 62.53 H new ATOM 0 HA LEU B 219 -7.053 -14.278 -16.201 1.00 63.11 H new ATOM 0 HB2 LEU B 219 -4.200 -13.297 -15.881 1.00 44.22 H new ATOM 0 HB3 LEU B 219 -5.398 -12.517 -16.896 1.00 44.22 H new ATOM 0 HG LEU B 219 -6.762 -12.126 -14.801 1.00 4.52 H new ATOM 0 HD11 LEU B 219 -5.592 -12.099 -12.667 1.00 74.31 H new ATOM 0 HD12 LEU B 219 -5.762 -13.745 -13.323 1.00 74.31 H new ATOM 0 HD13 LEU B 219 -4.196 -12.905 -13.422 1.00 74.31 H new ATOM 0 HD21 LEU B 219 -5.352 -10.190 -14.178 1.00 21.00 H new ATOM 0 HD22 LEU B 219 -3.982 -10.925 -15.044 1.00 21.00 H new ATOM 0 HD23 LEU B 219 -5.429 -10.410 -15.942 1.00 21.00 H new ATOM 1365 N PRO B 220 -6.324 -15.649 -18.274 1.00 65.43 N ATOM 1366 CA PRO B 220 -5.880 -16.157 -19.548 1.00 62.35 C ATOM 1367 C PRO B 220 -5.579 -14.985 -20.468 1.00 21.21 C ATOM 1368 O PRO B 220 -6.346 -13.997 -20.507 1.00 0.32 O ATOM 1369 CB PRO B 220 -7.098 -16.944 -20.067 1.00 34.42 C ATOM 1370 CG PRO B 220 -7.988 -17.110 -18.881 1.00 30.11 C ATOM 1371 CD PRO B 220 -7.734 -15.926 -18.015 1.00 11.33 C ATOM 0 HA PRO B 220 -4.980 -16.769 -19.490 1.00 62.35 H new ATOM 0 HB2 PRO B 220 -7.604 -16.404 -20.867 1.00 34.42 H new ATOM 0 HB3 PRO B 220 -6.799 -17.910 -20.474 1.00 34.42 H new ATOM 0 HG2 PRO B 220 -9.035 -17.158 -19.181 1.00 30.11 H new ATOM 0 HG3 PRO B 220 -7.766 -18.037 -18.352 1.00 30.11 H new ATOM 0 HD2 PRO B 220 -8.370 -15.082 -18.283 1.00 11.33 H new ATOM 0 HD3 PRO B 220 -7.919 -16.144 -16.963 1.00 11.33 H new ATOM 1379 N VAL B 221 -4.513 -15.074 -21.215 1.00 74.42 N ATOM 1380 CA VAL B 221 -4.143 -14.000 -22.098 1.00 13.04 C ATOM 1381 C VAL B 221 -3.699 -14.527 -23.424 1.00 11.11 C ATOM 1382 O VAL B 221 -2.939 -15.500 -23.500 1.00 63.14 O ATOM 1383 CB VAL B 221 -3.046 -13.036 -21.509 1.00 71.33 C ATOM 1384 CG1 VAL B 221 -3.541 -12.299 -20.271 1.00 63.21 C ATOM 1385 CG2 VAL B 221 -1.759 -13.779 -21.195 1.00 65.12 C ATOM 0 H VAL B 221 -3.885 -15.878 -21.231 1.00 74.42 H new ATOM 0 HA VAL B 221 -5.046 -13.403 -22.221 1.00 13.04 H new ATOM 0 HB VAL B 221 -2.837 -12.296 -22.282 1.00 71.33 H new ATOM 0 HG11 VAL B 221 -2.753 -11.645 -19.897 1.00 63.21 H new ATOM 0 HG12 VAL B 221 -4.416 -11.702 -20.528 1.00 63.21 H new ATOM 0 HG13 VAL B 221 -3.809 -13.022 -19.500 1.00 63.21 H new ATOM 0 HG21 VAL B 221 -1.026 -13.081 -20.791 1.00 65.12 H new ATOM 0 HG22 VAL B 221 -1.960 -14.560 -20.462 1.00 65.12 H new ATOM 0 HG23 VAL B 221 -1.367 -14.229 -22.107 1.00 65.12 H new ATOM 1395 N SER B 222 -4.186 -13.916 -24.463 1.00 52.43 N ATOM 1396 CA SER B 222 -3.798 -14.273 -25.789 1.00 44.43 C ATOM 1397 C SER B 222 -2.332 -13.871 -26.005 1.00 31.25 C ATOM 1398 O SER B 222 -1.552 -14.610 -26.603 1.00 74.25 O ATOM 1399 CB SER B 222 -4.728 -13.581 -26.777 1.00 74.22 C ATOM 1400 OG SER B 222 -6.087 -13.915 -26.470 1.00 15.11 O ATOM 0 H SER B 222 -4.864 -13.156 -24.412 1.00 52.43 H new ATOM 0 HA SER B 222 -3.879 -15.349 -25.945 1.00 44.43 H new ATOM 0 HB2 SER B 222 -4.588 -12.501 -26.729 1.00 74.22 H new ATOM 0 HB3 SER B 222 -4.488 -13.888 -27.795 1.00 74.22 H new ATOM 0 HG SER B 222 -6.685 -13.468 -27.105 1.00 15.11 H new ATOM 1406 N ARG B 223 -1.961 -12.716 -25.471 1.00 43.22 N ATOM 1407 CA ARG B 223 -0.601 -12.220 -25.555 1.00 1.30 C ATOM 1408 C ARG B 223 -0.190 -11.588 -24.244 1.00 62.22 C ATOM 1409 O ARG B 223 -0.999 -10.922 -23.590 1.00 35.31 O ATOM 1410 CB ARG B 223 -0.453 -11.180 -26.683 1.00 11.33 C ATOM 1411 CG ARG B 223 -0.677 -11.718 -28.086 1.00 44.25 C ATOM 1412 CD ARG B 223 0.361 -12.766 -28.444 1.00 74.32 C ATOM 1413 NE ARG B 223 0.127 -13.343 -29.763 1.00 42.25 N ATOM 1414 CZ ARG B 223 0.924 -14.235 -30.356 1.00 52.23 C ATOM 1415 NH1 ARG B 223 2.044 -14.646 -29.755 1.00 41.41 N ATOM 1416 NH2 ARG B 223 0.595 -14.727 -31.545 1.00 20.22 N ATOM 0 H ARG B 223 -2.598 -12.098 -24.967 1.00 43.22 H new ATOM 0 HA ARG B 223 0.045 -13.070 -25.774 1.00 1.30 H new ATOM 0 HB2 ARG B 223 -1.159 -10.369 -26.504 1.00 11.33 H new ATOM 0 HB3 ARG B 223 0.547 -10.749 -26.631 1.00 11.33 H new ATOM 0 HG2 ARG B 223 -1.675 -12.151 -28.157 1.00 44.25 H new ATOM 0 HG3 ARG B 223 -0.633 -10.899 -28.804 1.00 44.25 H new ATOM 0 HD2 ARG B 223 1.354 -12.316 -28.417 1.00 74.32 H new ATOM 0 HD3 ARG B 223 0.349 -13.558 -27.695 1.00 74.32 H new ATOM 0 HE ARG B 223 -0.706 -13.043 -30.269 1.00 42.25 H new ATOM 0 HH11 ARG B 223 2.295 -14.278 -28.837 1.00 41.41 H new ATOM 0 HH12 ARG B 223 2.648 -15.328 -30.214 1.00 41.41 H new ATOM 0 HH21 ARG B 223 -0.265 -14.423 -32.003 1.00 20.22 H new ATOM 0 HH22 ARG B 223 1.202 -15.409 -32.001 1.00 20.22 H new ATOM 1430 N ILE B 224 1.050 -11.821 -23.849 1.00 70.10 N ATOM 1431 CA ILE B 224 1.629 -11.171 -22.678 1.00 64.45 C ATOM 1432 C ILE B 224 1.900 -9.748 -23.111 1.00 43.33 C ATOM 1433 O ILE B 224 2.787 -9.502 -23.949 1.00 72.55 O ATOM 1434 CB ILE B 224 2.988 -11.830 -22.263 1.00 10.03 C ATOM 1435 CG1 ILE B 224 2.863 -13.364 -22.093 1.00 74.03 C ATOM 1436 CG2 ILE B 224 3.521 -11.202 -20.981 1.00 20.12 C ATOM 1437 CD1 ILE B 224 1.906 -13.825 -21.039 1.00 51.11 C ATOM 0 H ILE B 224 1.684 -12.462 -24.326 1.00 70.10 H new ATOM 0 HA ILE B 224 0.956 -11.249 -21.824 1.00 64.45 H new ATOM 0 HB ILE B 224 3.694 -11.644 -23.072 1.00 10.03 H new ATOM 0 HG12 ILE B 224 2.558 -13.793 -23.047 1.00 74.03 H new ATOM 0 HG13 ILE B 224 3.849 -13.767 -21.863 1.00 74.03 H new ATOM 0 HG21 ILE B 224 4.465 -11.674 -20.710 1.00 20.12 H new ATOM 0 HG22 ILE B 224 3.680 -10.135 -21.137 1.00 20.12 H new ATOM 0 HG23 ILE B 224 2.799 -11.347 -20.177 1.00 20.12 H new ATOM 0 HD11 ILE B 224 1.898 -14.914 -21.006 1.00 51.11 H new ATOM 0 HD12 ILE B 224 2.217 -13.435 -20.070 1.00 51.11 H new ATOM 0 HD13 ILE B 224 0.905 -13.462 -21.272 1.00 51.11 H new ATOM 1449 N LYS B 225 1.128 -8.834 -22.612 1.00 53.33 N ATOM 1450 CA LYS B 225 1.212 -7.474 -23.055 1.00 15.10 C ATOM 1451 C LYS B 225 1.872 -6.620 -22.007 1.00 42.12 C ATOM 1452 O LYS B 225 1.872 -6.976 -20.821 1.00 72.51 O ATOM 1453 CB LYS B 225 -0.186 -6.964 -23.377 1.00 74.32 C ATOM 1454 CG LYS B 225 -1.110 -6.854 -22.189 1.00 4.41 C ATOM 1455 CD LYS B 225 -2.512 -6.580 -22.649 1.00 43.03 C ATOM 1456 CE LYS B 225 -3.115 -7.822 -23.285 1.00 52.44 C ATOM 1457 NZ LYS B 225 -4.322 -7.534 -24.083 1.00 32.03 N ATOM 0 H LYS B 225 0.426 -9.005 -21.892 1.00 53.33 H new ATOM 0 HA LYS B 225 1.823 -7.421 -23.956 1.00 15.10 H new ATOM 0 HB2 LYS B 225 -0.101 -5.983 -23.845 1.00 74.32 H new ATOM 0 HB3 LYS B 225 -0.640 -7.629 -24.112 1.00 74.32 H new ATOM 0 HG2 LYS B 225 -1.083 -7.778 -21.611 1.00 4.41 H new ATOM 0 HG3 LYS B 225 -0.773 -6.055 -21.529 1.00 4.41 H new ATOM 0 HD2 LYS B 225 -3.123 -6.264 -21.804 1.00 43.03 H new ATOM 0 HD3 LYS B 225 -2.512 -5.760 -23.367 1.00 43.03 H new ATOM 0 HE2 LYS B 225 -2.369 -8.295 -23.923 1.00 52.44 H new ATOM 0 HE3 LYS B 225 -3.366 -8.538 -22.503 1.00 52.44 H new ATOM 0 HZ1 LYS B 225 -4.986 -8.331 -24.009 1.00 32.03 H new ATOM 0 HZ2 LYS B 225 -4.777 -6.670 -23.725 1.00 32.03 H new ATOM 0 HZ3 LYS B 225 -4.055 -7.397 -25.079 1.00 32.03 H new ATOM 1471 N THR B 226 2.437 -5.520 -22.432 1.00 60.44 N ATOM 1472 CA THR B 226 3.094 -4.627 -21.537 1.00 41.31 C ATOM 1473 C THR B 226 2.518 -3.239 -21.582 1.00 44.02 C ATOM 1474 O THR B 226 2.339 -2.657 -22.655 1.00 10.23 O ATOM 1475 CB THR B 226 4.612 -4.562 -21.788 1.00 14.44 C ATOM 1476 OG1 THR B 226 4.878 -4.366 -23.194 1.00 60.31 O ATOM 1477 CG2 THR B 226 5.323 -5.805 -21.274 1.00 15.50 C ATOM 0 H THR B 226 2.450 -5.226 -23.408 1.00 60.44 H new ATOM 0 HA THR B 226 2.923 -5.037 -20.542 1.00 41.31 H new ATOM 0 HB THR B 226 5.005 -3.711 -21.232 1.00 14.44 H new ATOM 0 HG1 THR B 226 4.211 -3.755 -23.571 1.00 60.31 H new ATOM 0 HG21 THR B 226 6.392 -5.720 -21.470 1.00 15.50 H new ATOM 0 HG22 THR B 226 5.158 -5.901 -20.201 1.00 15.50 H new ATOM 0 HG23 THR B 226 4.930 -6.685 -21.782 1.00 15.50 H new ATOM 1485 N TYR B 227 2.218 -2.726 -20.428 1.00 50.54 N ATOM 1486 CA TYR B 227 1.797 -1.361 -20.280 1.00 43.31 C ATOM 1487 C TYR B 227 2.898 -0.615 -19.600 1.00 2.24 C ATOM 1488 O TYR B 227 3.396 -1.060 -18.568 1.00 42.22 O ATOM 1489 CB TYR B 227 0.493 -1.250 -19.473 1.00 14.51 C ATOM 1490 CG TYR B 227 -0.711 -1.795 -20.198 1.00 42.40 C ATOM 1491 CD1 TYR B 227 -1.073 -3.127 -20.088 1.00 11.44 C ATOM 1492 CD2 TYR B 227 -1.486 -0.970 -21.002 1.00 43.45 C ATOM 1493 CE1 TYR B 227 -2.167 -3.623 -20.759 1.00 74.41 C ATOM 1494 CE2 TYR B 227 -2.583 -1.458 -21.678 1.00 34.21 C ATOM 1495 CZ TYR B 227 -2.922 -2.788 -21.553 1.00 41.11 C ATOM 1496 OH TYR B 227 -4.021 -3.284 -22.237 1.00 72.54 O ATOM 0 H TYR B 227 2.258 -3.246 -19.552 1.00 50.54 H new ATOM 0 HA TYR B 227 1.593 -0.936 -21.263 1.00 43.31 H new ATOM 0 HB2 TYR B 227 0.612 -1.784 -18.530 1.00 14.51 H new ATOM 0 HB3 TYR B 227 0.316 -0.203 -19.226 1.00 14.51 H new ATOM 0 HD1 TYR B 227 -0.487 -3.787 -19.466 1.00 11.44 H new ATOM 0 HD2 TYR B 227 -1.224 0.073 -21.099 1.00 43.45 H new ATOM 0 HE1 TYR B 227 -2.433 -4.665 -20.663 1.00 74.41 H new ATOM 0 HE2 TYR B 227 -3.173 -0.803 -22.302 1.00 34.21 H new ATOM 0 HH TYR B 227 -4.528 -3.884 -21.651 1.00 72.54 H new ATOM 1506 N THR B 228 3.309 0.477 -20.167 1.00 73.33 N ATOM 1507 CA THR B 228 4.369 1.222 -19.584 1.00 53.31 C ATOM 1508 C THR B 228 3.848 2.517 -18.991 1.00 21.14 C ATOM 1509 O THR B 228 3.222 3.343 -19.669 1.00 44.31 O ATOM 1510 CB THR B 228 5.513 1.472 -20.586 1.00 55.21 C ATOM 1511 OG1 THR B 228 5.912 0.204 -21.123 1.00 70.21 O ATOM 1512 CG2 THR B 228 6.728 2.108 -19.895 1.00 24.23 C ATOM 0 H THR B 228 2.926 0.867 -21.028 1.00 73.33 H new ATOM 0 HA THR B 228 4.789 0.627 -18.773 1.00 53.31 H new ATOM 0 HB THR B 228 5.162 2.150 -21.364 1.00 55.21 H new ATOM 0 HG1 THR B 228 6.639 0.336 -21.766 1.00 70.21 H new ATOM 0 HG21 THR B 228 7.518 2.272 -20.627 1.00 24.23 H new ATOM 0 HG22 THR B 228 6.438 3.062 -19.454 1.00 24.23 H new ATOM 0 HG23 THR B 228 7.091 1.442 -19.112 1.00 24.23 H new ATOM 1520 N ILE B 229 4.116 2.672 -17.741 1.00 70.04 N ATOM 1521 CA ILE B 229 3.695 3.791 -16.974 1.00 63.42 C ATOM 1522 C ILE B 229 4.863 4.724 -16.834 1.00 13.43 C ATOM 1523 O ILE B 229 5.952 4.305 -16.530 1.00 22.33 O ATOM 1524 CB ILE B 229 3.242 3.331 -15.554 1.00 61.04 C ATOM 1525 CG1 ILE B 229 2.002 2.450 -15.633 1.00 52.43 C ATOM 1526 CG2 ILE B 229 3.012 4.503 -14.643 1.00 14.25 C ATOM 1527 CD1 ILE B 229 1.537 1.900 -14.312 1.00 11.25 C ATOM 0 H ILE B 229 4.657 1.994 -17.204 1.00 70.04 H new ATOM 0 HA ILE B 229 2.858 4.283 -17.469 1.00 63.42 H new ATOM 0 HB ILE B 229 4.051 2.737 -15.129 1.00 61.04 H new ATOM 0 HG12 ILE B 229 1.191 3.027 -16.077 1.00 52.43 H new ATOM 0 HG13 ILE B 229 2.207 1.617 -16.306 1.00 52.43 H new ATOM 0 HG21 ILE B 229 2.698 4.145 -13.662 1.00 14.25 H new ATOM 0 HG22 ILE B 229 3.936 5.072 -14.542 1.00 14.25 H new ATOM 0 HG23 ILE B 229 2.235 5.143 -15.062 1.00 14.25 H new ATOM 0 HD11 ILE B 229 0.650 1.286 -14.466 1.00 11.25 H new ATOM 0 HD12 ILE B 229 2.328 1.292 -13.872 1.00 11.25 H new ATOM 0 HD13 ILE B 229 1.296 2.723 -13.640 1.00 11.25 H new ATOM 1539 N THR B 230 4.642 5.950 -17.115 1.00 21.42 N ATOM 1540 CA THR B 230 5.647 6.964 -16.992 1.00 15.14 C ATOM 1541 C THR B 230 5.060 8.186 -16.307 1.00 42.14 C ATOM 1542 O THR B 230 4.522 9.083 -16.965 1.00 71.20 O ATOM 1543 CB THR B 230 6.351 7.322 -18.339 1.00 22.32 C ATOM 1544 OG1 THR B 230 5.374 7.658 -19.344 1.00 12.33 O ATOM 1545 CG2 THR B 230 7.213 6.164 -18.845 1.00 60.04 C ATOM 0 H THR B 230 3.742 6.297 -17.445 1.00 21.42 H new ATOM 0 HA THR B 230 6.444 6.556 -16.370 1.00 15.14 H new ATOM 0 HB THR B 230 6.995 8.181 -18.150 1.00 22.32 H new ATOM 0 HG1 THR B 230 4.703 8.260 -18.960 1.00 12.33 H new ATOM 0 HG21 THR B 230 7.688 6.447 -19.784 1.00 60.04 H new ATOM 0 HG22 THR B 230 7.980 5.931 -18.106 1.00 60.04 H new ATOM 0 HG23 THR B 230 6.586 5.287 -19.006 1.00 60.04 H new ATOM 1553 N GLU B 231 5.096 8.194 -14.987 1.00 43.13 N ATOM 1554 CA GLU B 231 4.467 9.261 -14.244 1.00 34.42 C ATOM 1555 C GLU B 231 5.511 10.089 -13.524 1.00 31.02 C ATOM 1556 O GLU B 231 5.990 9.695 -12.460 1.00 54.24 O ATOM 1557 CB GLU B 231 3.492 8.705 -13.192 1.00 14.25 C ATOM 1558 CG GLU B 231 2.526 7.638 -13.686 1.00 1.02 C ATOM 1559 CD GLU B 231 1.724 8.044 -14.898 1.00 23.33 C ATOM 1560 OE1 GLU B 231 0.964 9.015 -14.820 1.00 13.43 O ATOM 1561 OE2 GLU B 231 1.843 7.390 -15.943 1.00 40.22 O ATOM 0 H GLU B 231 5.550 7.481 -14.416 1.00 43.13 H new ATOM 0 HA GLU B 231 3.922 9.876 -14.960 1.00 34.42 H new ATOM 0 HB2 GLU B 231 4.073 8.290 -12.369 1.00 14.25 H new ATOM 0 HB3 GLU B 231 2.912 9.534 -12.787 1.00 14.25 H new ATOM 0 HG2 GLU B 231 3.089 6.735 -13.922 1.00 1.02 H new ATOM 0 HG3 GLU B 231 1.840 7.383 -12.879 1.00 1.02 H new ATOM 1568 N GLY B 232 5.864 11.215 -14.100 1.00 35.50 N ATOM 1569 CA GLY B 232 6.806 12.123 -13.479 1.00 61.34 C ATOM 1570 C GLY B 232 8.149 11.487 -13.205 1.00 14.15 C ATOM 1571 O GLY B 232 8.512 11.282 -12.036 1.00 5.45 O ATOM 0 H GLY B 232 5.511 11.527 -15.005 1.00 35.50 H new ATOM 0 HA2 GLY B 232 6.946 12.990 -14.125 1.00 61.34 H new ATOM 0 HA3 GLY B 232 6.386 12.488 -12.542 1.00 61.34 H new ATOM 1575 N SER B 233 8.874 11.159 -14.268 1.00 72.14 N ATOM 1576 CA SER B 233 10.200 10.546 -14.164 1.00 22.30 C ATOM 1577 C SER B 233 10.134 9.178 -13.464 1.00 13.24 C ATOM 1578 O SER B 233 11.048 8.785 -12.751 1.00 3.04 O ATOM 1579 CB SER B 233 11.162 11.495 -13.434 1.00 10.25 C ATOM 1580 OG SER B 233 11.269 12.738 -14.130 1.00 3.25 O ATOM 0 H SER B 233 8.563 11.309 -15.228 1.00 72.14 H new ATOM 0 HA SER B 233 10.578 10.374 -15.172 1.00 22.30 H new ATOM 0 HB2 SER B 233 10.807 11.670 -12.418 1.00 10.25 H new ATOM 0 HB3 SER B 233 12.145 11.032 -13.352 1.00 10.25 H new ATOM 0 HG SER B 233 11.884 13.330 -13.649 1.00 3.25 H new ATOM 1586 N LEU B 234 9.069 8.458 -13.710 1.00 32.43 N ATOM 1587 CA LEU B 234 8.897 7.132 -13.169 1.00 53.23 C ATOM 1588 C LEU B 234 8.471 6.221 -14.290 1.00 12.24 C ATOM 1589 O LEU B 234 7.513 6.500 -14.956 1.00 41.14 O ATOM 1590 CB LEU B 234 7.863 7.168 -11.992 1.00 32.21 C ATOM 1591 CG LEU B 234 7.492 5.845 -11.242 1.00 23.33 C ATOM 1592 CD1 LEU B 234 6.621 4.913 -12.085 1.00 22.24 C ATOM 1593 CD2 LEU B 234 8.744 5.114 -10.776 1.00 54.31 C ATOM 0 H LEU B 234 8.294 8.775 -14.293 1.00 32.43 H new ATOM 0 HA LEU B 234 9.829 6.750 -12.752 1.00 53.23 H new ATOM 0 HB2 LEU B 234 8.242 7.868 -11.248 1.00 32.21 H new ATOM 0 HB3 LEU B 234 6.938 7.590 -12.385 1.00 32.21 H new ATOM 0 HG LEU B 234 6.904 6.138 -10.372 1.00 23.33 H new ATOM 0 HD11 LEU B 234 6.395 4.012 -11.515 1.00 22.24 H new ATOM 0 HD12 LEU B 234 5.692 5.420 -12.346 1.00 22.24 H new ATOM 0 HD13 LEU B 234 7.154 4.642 -12.996 1.00 22.24 H new ATOM 0 HD21 LEU B 234 8.459 4.198 -10.258 1.00 54.31 H new ATOM 0 HD22 LEU B 234 9.362 4.866 -11.638 1.00 54.31 H new ATOM 0 HD23 LEU B 234 9.308 5.754 -10.098 1.00 54.31 H new ATOM 1605 N ARG B 235 9.199 5.154 -14.492 1.00 75.25 N ATOM 1606 CA ARG B 235 8.897 4.188 -15.527 1.00 32.44 C ATOM 1607 C ARG B 235 8.338 2.969 -14.873 1.00 61.42 C ATOM 1608 O ARG B 235 8.810 2.583 -13.836 1.00 43.23 O ATOM 1609 CB ARG B 235 10.172 3.735 -16.200 1.00 11.43 C ATOM 1610 CG ARG B 235 10.985 4.772 -16.920 1.00 14.41 C ATOM 1611 CD ARG B 235 12.321 4.140 -17.251 1.00 45.23 C ATOM 1612 NE ARG B 235 13.222 4.993 -18.004 1.00 15.21 N ATOM 1613 CZ ARG B 235 14.555 4.845 -18.018 1.00 44.55 C ATOM 1614 NH1 ARG B 235 15.176 4.147 -17.052 1.00 52.01 N ATOM 1615 NH2 ARG B 235 15.268 5.466 -18.938 1.00 24.05 N ATOM 0 H ARG B 235 10.026 4.925 -13.941 1.00 75.25 H new ATOM 0 HA ARG B 235 8.212 4.642 -16.243 1.00 32.44 H new ATOM 0 HB2 ARG B 235 10.807 3.277 -15.442 1.00 11.43 H new ATOM 0 HB3 ARG B 235 9.915 2.954 -16.915 1.00 11.43 H new ATOM 0 HG2 ARG B 235 10.477 5.097 -17.828 1.00 14.41 H new ATOM 0 HG3 ARG B 235 11.121 5.656 -16.297 1.00 14.41 H new ATOM 0 HD2 ARG B 235 12.810 3.847 -16.322 1.00 45.23 H new ATOM 0 HD3 ARG B 235 12.145 3.227 -17.820 1.00 45.23 H new ATOM 0 HE ARG B 235 12.818 5.750 -18.555 1.00 15.21 H new ATOM 0 HH11 ARG B 235 14.633 3.724 -16.299 1.00 52.01 H new ATOM 0 HH12 ARG B 235 16.190 4.040 -17.072 1.00 52.01 H new ATOM 0 HH21 ARG B 235 14.805 6.053 -19.632 1.00 24.05 H new ATOM 0 HH22 ARG B 235 16.282 5.359 -18.956 1.00 24.05 H new ATOM 1629 N CYS B 236 7.335 2.407 -15.418 1.00 34.11 N ATOM 1630 CA CYS B 236 6.874 1.154 -14.944 1.00 60.00 C ATOM 1631 C CYS B 236 6.467 0.300 -16.113 1.00 1.02 C ATOM 1632 O CYS B 236 5.826 0.781 -17.012 1.00 61.32 O ATOM 1633 CB CYS B 236 5.727 1.313 -13.995 1.00 52.14 C ATOM 1634 SG CYS B 236 5.828 0.108 -12.619 1.00 54.00 S ATOM 0 H CYS B 236 6.808 2.794 -16.201 1.00 34.11 H new ATOM 0 HA CYS B 236 7.685 0.672 -14.399 1.00 60.00 H new ATOM 0 HB2 CYS B 236 5.722 2.326 -13.594 1.00 52.14 H new ATOM 0 HB3 CYS B 236 4.788 1.178 -14.531 1.00 52.14 H new ATOM 1639 N VAL B 237 6.848 -0.933 -16.116 1.00 5.02 N ATOM 1640 CA VAL B 237 6.459 -1.830 -17.181 1.00 43.55 C ATOM 1641 C VAL B 237 5.638 -2.946 -16.587 1.00 44.31 C ATOM 1642 O VAL B 237 6.052 -3.566 -15.612 1.00 64.22 O ATOM 1643 CB VAL B 237 7.678 -2.434 -17.937 1.00 55.52 C ATOM 1644 CG1 VAL B 237 7.214 -3.264 -19.120 1.00 61.50 C ATOM 1645 CG2 VAL B 237 8.649 -1.348 -18.382 1.00 22.02 C ATOM 0 H VAL B 237 7.432 -1.356 -15.394 1.00 5.02 H new ATOM 0 HA VAL B 237 5.886 -1.256 -17.909 1.00 43.55 H new ATOM 0 HB VAL B 237 8.210 -3.088 -17.246 1.00 55.52 H new ATOM 0 HG11 VAL B 237 8.080 -3.678 -19.636 1.00 61.50 H new ATOM 0 HG12 VAL B 237 6.579 -4.077 -18.767 1.00 61.50 H new ATOM 0 HG13 VAL B 237 6.649 -2.634 -19.807 1.00 61.50 H new ATOM 0 HG21 VAL B 237 9.489 -1.804 -18.907 1.00 22.02 H new ATOM 0 HG22 VAL B 237 8.138 -0.654 -19.049 1.00 22.02 H new ATOM 0 HG23 VAL B 237 9.016 -0.808 -17.509 1.00 22.02 H new ATOM 1655 N ILE B 238 4.501 -3.192 -17.155 1.00 64.22 N ATOM 1656 CA ILE B 238 3.595 -4.186 -16.643 1.00 5.14 C ATOM 1657 C ILE B 238 3.436 -5.299 -17.653 1.00 11.21 C ATOM 1658 O ILE B 238 2.980 -5.065 -18.749 1.00 14.40 O ATOM 1659 CB ILE B 238 2.201 -3.557 -16.423 1.00 3.24 C ATOM 1660 CG1 ILE B 238 2.298 -2.339 -15.510 1.00 34.22 C ATOM 1661 CG2 ILE B 238 1.228 -4.587 -15.835 1.00 32.34 C ATOM 1662 CD1 ILE B 238 1.013 -1.568 -15.420 1.00 15.32 C ATOM 0 H ILE B 238 4.168 -2.711 -17.990 1.00 64.22 H new ATOM 0 HA ILE B 238 3.997 -4.570 -15.705 1.00 5.14 H new ATOM 0 HB ILE B 238 1.819 -3.234 -17.391 1.00 3.24 H new ATOM 0 HG12 ILE B 238 2.591 -2.663 -14.511 1.00 34.22 H new ATOM 0 HG13 ILE B 238 3.086 -1.680 -15.875 1.00 34.22 H new ATOM 0 HG21 ILE B 238 0.253 -4.123 -15.688 1.00 32.34 H new ATOM 0 HG22 ILE B 238 1.130 -5.428 -16.521 1.00 32.34 H new ATOM 0 HG23 ILE B 238 1.609 -4.942 -14.877 1.00 32.34 H new ATOM 0 HD11 ILE B 238 1.147 -0.714 -14.756 1.00 15.32 H new ATOM 0 HD12 ILE B 238 0.730 -1.216 -16.412 1.00 15.32 H new ATOM 0 HD13 ILE B 238 0.228 -2.214 -15.027 1.00 15.32 H new ATOM 1674 N PHE B 239 3.812 -6.485 -17.270 1.00 63.21 N ATOM 1675 CA PHE B 239 3.654 -7.659 -18.084 1.00 4.44 C ATOM 1676 C PHE B 239 2.428 -8.413 -17.609 1.00 65.40 C ATOM 1677 O PHE B 239 2.403 -8.893 -16.463 1.00 72.43 O ATOM 1678 CB PHE B 239 4.871 -8.587 -17.969 1.00 20.13 C ATOM 1679 CG PHE B 239 6.143 -8.083 -18.569 1.00 71.53 C ATOM 1680 CD1 PHE B 239 6.897 -7.110 -17.937 1.00 34.43 C ATOM 1681 CD2 PHE B 239 6.602 -8.610 -19.762 1.00 43.12 C ATOM 1682 CE1 PHE B 239 8.082 -6.671 -18.484 1.00 3.02 C ATOM 1683 CE2 PHE B 239 7.781 -8.177 -20.319 1.00 22.54 C ATOM 1684 CZ PHE B 239 8.527 -7.203 -19.680 1.00 51.11 C ATOM 0 H PHE B 239 4.246 -6.668 -16.365 1.00 63.21 H new ATOM 0 HA PHE B 239 3.552 -7.348 -19.124 1.00 4.44 H new ATOM 0 HB2 PHE B 239 5.048 -8.791 -16.913 1.00 20.13 H new ATOM 0 HB3 PHE B 239 4.623 -9.538 -18.441 1.00 20.13 H new ATOM 0 HD1 PHE B 239 6.552 -6.690 -17.004 1.00 34.43 H new ATOM 0 HD2 PHE B 239 6.025 -9.373 -20.263 1.00 43.12 H new ATOM 0 HE1 PHE B 239 8.663 -5.913 -17.980 1.00 3.02 H new ATOM 0 HE2 PHE B 239 8.124 -8.596 -21.253 1.00 22.54 H new ATOM 0 HZ PHE B 239 9.454 -6.859 -20.114 1.00 51.11 H new ATOM 1694 N ILE B 240 1.409 -8.508 -18.430 1.00 24.04 N ATOM 1695 CA ILE B 240 0.226 -9.255 -18.031 1.00 45.30 C ATOM 1696 C ILE B 240 0.398 -10.658 -18.516 1.00 22.44 C ATOM 1697 O ILE B 240 0.512 -10.886 -19.725 1.00 65.34 O ATOM 1698 CB ILE B 240 -1.085 -8.703 -18.643 1.00 61.45 C ATOM 1699 CG1 ILE B 240 -1.119 -7.181 -18.548 1.00 60.54 C ATOM 1700 CG2 ILE B 240 -2.300 -9.325 -17.939 1.00 42.34 C ATOM 1701 CD1 ILE B 240 -2.457 -6.558 -18.863 1.00 40.54 C ATOM 0 H ILE B 240 1.367 -8.090 -19.359 1.00 24.04 H new ATOM 0 HA ILE B 240 0.137 -9.180 -16.947 1.00 45.30 H new ATOM 0 HB ILE B 240 -1.123 -8.975 -19.698 1.00 61.45 H new ATOM 0 HG12 ILE B 240 -0.825 -6.887 -17.540 1.00 60.54 H new ATOM 0 HG13 ILE B 240 -0.374 -6.771 -19.230 1.00 60.54 H new ATOM 0 HG21 ILE B 240 -3.216 -8.930 -18.377 1.00 42.34 H new ATOM 0 HG22 ILE B 240 -2.277 -10.408 -18.062 1.00 42.34 H new ATOM 0 HG23 ILE B 240 -2.270 -9.080 -16.877 1.00 42.34 H new ATOM 0 HD11 ILE B 240 -2.385 -5.474 -18.770 1.00 40.54 H new ATOM 0 HD12 ILE B 240 -2.748 -6.816 -19.881 1.00 40.54 H new ATOM 0 HD13 ILE B 240 -3.206 -6.933 -18.166 1.00 40.54 H new ATOM 1713 N THR B 241 0.427 -11.599 -17.616 1.00 65.30 N ATOM 1714 CA THR B 241 0.663 -12.935 -18.012 1.00 4.31 C ATOM 1715 C THR B 241 -0.535 -13.816 -17.693 1.00 11.44 C ATOM 1716 O THR B 241 -1.449 -13.404 -16.987 1.00 75.41 O ATOM 1717 CB THR B 241 1.952 -13.523 -17.376 1.00 51.42 C ATOM 1718 OG1 THR B 241 1.782 -13.662 -15.964 1.00 13.20 O ATOM 1719 CG2 THR B 241 3.143 -12.610 -17.605 1.00 52.32 C ATOM 0 H THR B 241 0.290 -11.457 -16.615 1.00 65.30 H new ATOM 0 HA THR B 241 0.813 -12.920 -19.092 1.00 4.31 H new ATOM 0 HB THR B 241 2.132 -14.490 -17.845 1.00 51.42 H new ATOM 0 HG1 THR B 241 1.459 -12.816 -15.589 1.00 13.20 H new ATOM 0 HG21 THR B 241 4.030 -13.048 -17.148 1.00 52.32 H new ATOM 0 HG22 THR B 241 3.308 -12.489 -18.676 1.00 52.32 H new ATOM 0 HG23 THR B 241 2.947 -11.636 -17.156 1.00 52.32 H new ATOM 1727 N LYS B 242 -0.492 -15.027 -18.196 1.00 54.31 N ATOM 1728 CA LYS B 242 -1.584 -16.003 -18.057 1.00 4.24 C ATOM 1729 C LYS B 242 -1.974 -16.447 -16.619 1.00 13.14 C ATOM 1730 O LYS B 242 -3.003 -17.106 -16.441 1.00 52.24 O ATOM 1731 CB LYS B 242 -1.447 -17.190 -19.039 1.00 20.22 C ATOM 1732 CG LYS B 242 -0.025 -17.722 -19.251 1.00 13.40 C ATOM 1733 CD LYS B 242 0.682 -18.117 -17.960 1.00 73.23 C ATOM 1734 CE LYS B 242 2.081 -18.651 -18.243 1.00 43.10 C ATOM 1735 NZ LYS B 242 2.812 -18.987 -17.003 1.00 21.13 N ATOM 0 H LYS B 242 0.306 -15.381 -18.723 1.00 54.31 H new ATOM 0 HA LYS B 242 -2.455 -15.418 -18.351 1.00 4.24 H new ATOM 0 HB2 LYS B 242 -2.071 -18.008 -18.679 1.00 20.22 H new ATOM 0 HB3 LYS B 242 -1.848 -16.885 -20.006 1.00 20.22 H new ATOM 0 HG2 LYS B 242 -0.066 -18.588 -19.912 1.00 13.40 H new ATOM 0 HG3 LYS B 242 0.566 -16.960 -19.760 1.00 13.40 H new ATOM 0 HD2 LYS B 242 0.746 -17.254 -17.298 1.00 73.23 H new ATOM 0 HD3 LYS B 242 0.098 -18.876 -17.439 1.00 73.23 H new ATOM 0 HE2 LYS B 242 2.009 -19.538 -18.872 1.00 43.10 H new ATOM 0 HE3 LYS B 242 2.645 -17.907 -18.805 1.00 43.10 H new ATOM 0 HZ1 LYS B 242 3.758 -19.346 -17.244 1.00 21.13 H new ATOM 0 HZ2 LYS B 242 2.905 -18.135 -16.413 1.00 21.13 H new ATOM 0 HZ3 LYS B 242 2.288 -19.716 -16.478 1.00 21.13 H new ATOM 1749 N ARG B 243 -1.189 -16.120 -15.611 1.00 64.32 N ATOM 1750 CA ARG B 243 -1.600 -16.448 -14.238 1.00 31.34 C ATOM 1751 C ARG B 243 -1.339 -15.309 -13.268 1.00 3.34 C ATOM 1752 O ARG B 243 -1.489 -15.475 -12.055 1.00 24.21 O ATOM 1753 CB ARG B 243 -0.959 -17.749 -13.708 1.00 31.55 C ATOM 1754 CG ARG B 243 -1.374 -19.014 -14.444 1.00 63.31 C ATOM 1755 CD ARG B 243 -0.785 -20.252 -13.792 1.00 11.31 C ATOM 1756 NE ARG B 243 -1.202 -21.491 -14.469 1.00 3.55 N ATOM 1757 CZ ARG B 243 -0.961 -22.735 -14.013 1.00 61.53 C ATOM 1758 NH1 ARG B 243 -0.325 -22.915 -12.859 1.00 51.34 N ATOM 1759 NH2 ARG B 243 -1.355 -23.791 -14.709 1.00 70.14 N ATOM 0 H ARG B 243 -0.291 -15.644 -15.698 1.00 64.32 H new ATOM 0 HA ARG B 243 -2.676 -16.610 -14.298 1.00 31.34 H new ATOM 0 HB2 ARG B 243 0.125 -17.652 -13.765 1.00 31.55 H new ATOM 0 HB3 ARG B 243 -1.214 -17.859 -12.654 1.00 31.55 H new ATOM 0 HG2 ARG B 243 -2.461 -19.090 -14.456 1.00 63.31 H new ATOM 0 HG3 ARG B 243 -1.047 -18.957 -15.482 1.00 63.31 H new ATOM 0 HD2 ARG B 243 0.303 -20.183 -13.803 1.00 11.31 H new ATOM 0 HD3 ARG B 243 -1.092 -20.291 -12.747 1.00 11.31 H new ATOM 0 HE ARG B 243 -1.711 -21.401 -15.348 1.00 3.55 H new ATOM 0 HH11 ARG B 243 -0.017 -22.109 -12.315 1.00 51.34 H new ATOM 0 HH12 ARG B 243 -0.145 -23.859 -12.518 1.00 51.34 H new ATOM 0 HH21 ARG B 243 -1.844 -23.664 -15.595 1.00 70.14 H new ATOM 0 HH22 ARG B 243 -1.170 -24.731 -14.359 1.00 70.14 H new ATOM 1773 N GLY B 244 -1.001 -14.150 -13.780 1.00 71.42 N ATOM 1774 CA GLY B 244 -0.695 -13.058 -12.908 1.00 2.53 C ATOM 1775 C GLY B 244 -0.019 -11.943 -13.626 1.00 31.43 C ATOM 1776 O GLY B 244 0.088 -11.963 -14.849 1.00 64.10 O ATOM 0 H GLY B 244 -0.933 -13.947 -14.777 1.00 71.42 H new ATOM 0 HA2 GLY B 244 -1.614 -12.691 -12.451 1.00 2.53 H new ATOM 0 HA3 GLY B 244 -0.055 -13.409 -12.099 1.00 2.53 H new ATOM 1780 N LEU B 245 0.455 -10.979 -12.892 1.00 4.14 N ATOM 1781 CA LEU B 245 1.071 -9.816 -13.493 1.00 33.45 C ATOM 1782 C LEU B 245 2.436 -9.555 -12.949 1.00 55.11 C ATOM 1783 O LEU B 245 2.771 -9.940 -11.834 1.00 0.34 O ATOM 1784 CB LEU B 245 0.214 -8.522 -13.414 1.00 75.24 C ATOM 1785 CG LEU B 245 -1.077 -8.467 -14.248 1.00 13.43 C ATOM 1786 CD1 LEU B 245 -2.118 -9.421 -13.738 1.00 34.55 C ATOM 1787 CD2 LEU B 245 -1.621 -7.051 -14.318 1.00 35.21 C ATOM 0 H LEU B 245 0.430 -10.969 -11.872 1.00 4.14 H new ATOM 0 HA LEU B 245 1.151 -10.075 -14.549 1.00 33.45 H new ATOM 0 HB2 LEU B 245 -0.054 -8.361 -12.370 1.00 75.24 H new ATOM 0 HB3 LEU B 245 0.843 -7.684 -13.715 1.00 75.24 H new ATOM 0 HG LEU B 245 -0.820 -8.783 -15.259 1.00 13.43 H new ATOM 0 HD11 LEU B 245 -3.012 -9.348 -14.357 1.00 34.55 H new ATOM 0 HD12 LEU B 245 -1.730 -10.439 -13.779 1.00 34.55 H new ATOM 0 HD13 LEU B 245 -2.368 -9.169 -12.707 1.00 34.55 H new ATOM 0 HD21 LEU B 245 -2.534 -7.041 -14.914 1.00 35.21 H new ATOM 0 HD22 LEU B 245 -1.841 -6.695 -13.311 1.00 35.21 H new ATOM 0 HD23 LEU B 245 -0.880 -6.399 -14.779 1.00 35.21 H new ATOM 1799 N LYS B 246 3.204 -8.934 -13.746 1.00 34.04 N ATOM 1800 CA LYS B 246 4.525 -8.540 -13.433 1.00 14.13 C ATOM 1801 C LYS B 246 4.644 -7.051 -13.642 1.00 40.24 C ATOM 1802 O LYS B 246 4.263 -6.547 -14.673 1.00 52.41 O ATOM 1803 CB LYS B 246 5.479 -9.310 -14.331 1.00 61.24 C ATOM 1804 CG LYS B 246 6.854 -8.729 -14.446 1.00 22.12 C ATOM 1805 CD LYS B 246 7.675 -9.517 -15.420 1.00 50.42 C ATOM 1806 CE LYS B 246 8.975 -8.836 -15.667 1.00 33.32 C ATOM 1807 NZ LYS B 246 9.876 -9.637 -16.518 1.00 41.21 N ATOM 0 H LYS B 246 2.919 -8.669 -14.689 1.00 34.04 H new ATOM 0 HA LYS B 246 4.774 -8.760 -12.395 1.00 14.13 H new ATOM 0 HB2 LYS B 246 5.563 -10.330 -13.955 1.00 61.24 H new ATOM 0 HB3 LYS B 246 5.044 -9.372 -15.328 1.00 61.24 H new ATOM 0 HG2 LYS B 246 6.791 -7.690 -14.771 1.00 22.12 H new ATOM 0 HG3 LYS B 246 7.338 -8.729 -13.469 1.00 22.12 H new ATOM 0 HD2 LYS B 246 7.850 -10.520 -15.031 1.00 50.42 H new ATOM 0 HD3 LYS B 246 7.131 -9.629 -16.358 1.00 50.42 H new ATOM 0 HE2 LYS B 246 8.793 -7.872 -16.142 1.00 33.32 H new ATOM 0 HE3 LYS B 246 9.464 -8.635 -14.714 1.00 33.32 H new ATOM 0 HZ1 LYS B 246 10.768 -9.121 -16.661 1.00 41.21 H new ATOM 0 HZ2 LYS B 246 10.073 -10.547 -16.055 1.00 41.21 H new ATOM 0 HZ3 LYS B 246 9.423 -9.808 -17.438 1.00 41.21 H new ATOM 1821 N VAL B 247 5.157 -6.362 -12.680 1.00 73.34 N ATOM 1822 CA VAL B 247 5.270 -4.936 -12.767 1.00 73.50 C ATOM 1823 C VAL B 247 6.687 -4.511 -12.398 1.00 43.05 C ATOM 1824 O VAL B 247 7.278 -5.022 -11.445 1.00 21.05 O ATOM 1825 CB VAL B 247 4.191 -4.236 -11.887 1.00 31.40 C ATOM 1826 CG1 VAL B 247 4.343 -4.576 -10.411 1.00 43.13 C ATOM 1827 CG2 VAL B 247 4.184 -2.747 -12.108 1.00 71.33 C ATOM 0 H VAL B 247 5.510 -6.764 -11.812 1.00 73.34 H new ATOM 0 HA VAL B 247 5.083 -4.620 -13.793 1.00 73.50 H new ATOM 0 HB VAL B 247 3.223 -4.625 -12.204 1.00 31.40 H new ATOM 0 HG11 VAL B 247 3.569 -4.065 -9.838 1.00 43.13 H new ATOM 0 HG12 VAL B 247 4.245 -5.653 -10.274 1.00 43.13 H new ATOM 0 HG13 VAL B 247 5.324 -4.254 -10.063 1.00 43.13 H new ATOM 0 HG21 VAL B 247 3.420 -2.289 -11.479 1.00 71.33 H new ATOM 0 HG22 VAL B 247 5.160 -2.336 -11.850 1.00 71.33 H new ATOM 0 HG23 VAL B 247 3.967 -2.536 -13.155 1.00 71.33 H new ATOM 1837 N CYS B 248 7.246 -3.636 -13.167 1.00 34.21 N ATOM 1838 CA CYS B 248 8.599 -3.247 -12.954 1.00 72.51 C ATOM 1839 C CYS B 248 8.732 -1.743 -13.018 1.00 21.33 C ATOM 1840 O CYS B 248 8.687 -1.162 -14.102 1.00 21.24 O ATOM 1841 CB CYS B 248 9.455 -3.894 -14.035 1.00 41.41 C ATOM 1842 SG CYS B 248 11.242 -3.824 -13.753 1.00 44.54 S ATOM 0 H CYS B 248 6.784 -3.176 -13.951 1.00 34.21 H new ATOM 0 HA CYS B 248 8.928 -3.572 -11.967 1.00 72.51 H new ATOM 0 HB2 CYS B 248 9.160 -4.939 -14.132 1.00 41.41 H new ATOM 0 HB3 CYS B 248 9.235 -3.411 -14.987 1.00 41.41 H new ATOM 1847 N CYS B 249 8.847 -1.113 -11.878 1.00 42.12 N ATOM 1848 CA CYS B 249 9.021 0.318 -11.837 1.00 25.11 C ATOM 1849 C CYS B 249 10.492 0.713 -11.709 1.00 33.31 C ATOM 1850 O CYS B 249 11.286 0.064 -11.010 1.00 52.21 O ATOM 1851 CB CYS B 249 8.184 1.008 -10.737 1.00 60.21 C ATOM 1852 SG CYS B 249 6.357 1.191 -10.988 1.00 62.32 S ATOM 0 H CYS B 249 8.823 -1.567 -10.965 1.00 42.12 H new ATOM 0 HA CYS B 249 8.646 0.677 -12.796 1.00 25.11 H new ATOM 0 HB2 CYS B 249 8.336 0.454 -9.811 1.00 60.21 H new ATOM 0 HB3 CYS B 249 8.598 2.005 -10.584 1.00 60.21 H new ATOM 1857 N ASP B 250 10.835 1.753 -12.412 1.00 25.50 N ATOM 1858 CA ASP B 250 12.142 2.359 -12.419 1.00 11.22 C ATOM 1859 C ASP B 250 11.957 3.866 -12.442 1.00 63.11 C ATOM 1860 O ASP B 250 11.475 4.402 -13.413 1.00 72.42 O ATOM 1861 CB ASP B 250 12.929 1.927 -13.661 1.00 33.45 C ATOM 1862 CG ASP B 250 14.284 2.608 -13.775 1.00 60.25 C ATOM 1863 OD1 ASP B 250 15.256 2.139 -13.156 1.00 13.10 O ATOM 1864 OD2 ASP B 250 14.395 3.618 -14.488 1.00 33.24 O ATOM 0 H ASP B 250 10.178 2.229 -13.030 1.00 25.50 H new ATOM 0 HA ASP B 250 12.697 2.047 -11.535 1.00 11.22 H new ATOM 0 HB2 ASP B 250 13.073 0.847 -13.635 1.00 33.45 H new ATOM 0 HB3 ASP B 250 12.341 2.149 -14.552 1.00 33.45 H new ATOM 1869 N PRO B 251 12.314 4.566 -11.375 1.00 31.54 N ATOM 1870 CA PRO B 251 12.156 6.039 -11.277 1.00 74.43 C ATOM 1871 C PRO B 251 13.212 6.789 -12.110 1.00 4.34 C ATOM 1872 O PRO B 251 13.726 7.833 -11.688 1.00 74.43 O ATOM 1873 CB PRO B 251 12.377 6.286 -9.782 1.00 44.34 C ATOM 1874 CG PRO B 251 13.288 5.200 -9.356 1.00 73.23 C ATOM 1875 CD PRO B 251 12.916 3.999 -10.168 1.00 44.13 C ATOM 0 HA PRO B 251 11.196 6.391 -11.655 1.00 74.43 H new ATOM 0 HB2 PRO B 251 12.818 7.267 -9.603 1.00 44.34 H new ATOM 0 HB3 PRO B 251 11.437 6.254 -9.231 1.00 44.34 H new ATOM 0 HG2 PRO B 251 14.329 5.477 -9.525 1.00 73.23 H new ATOM 0 HG3 PRO B 251 13.181 4.998 -8.290 1.00 73.23 H new ATOM 0 HD2 PRO B 251 13.789 3.390 -10.404 1.00 44.13 H new ATOM 0 HD3 PRO B 251 12.215 3.357 -9.635 1.00 44.13 H new