USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 675 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 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.3) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.8) USER MOD Single : A 51 MET CE :methyl 172:sc= -0.874 (180deg=-1.05) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 170:sc= -0.571 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0412 USER MOD Single : A 68 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.41) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.27) USER MOD Single : A 78 SER OG : rot -160:sc= -0.647 USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 0.0719 (180deg=0.0615) USER MOD Single : A 80 MET CE :methyl -152:sc= 0 (180deg=-1) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -140:sc= -0.455 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -141:sc= 0.958 (180deg=-0.429) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -0.515 K(o=-0.52,f=-1.6) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 16.817 -25.133 -25.323 1.00 3.14 N ATOM 257 CA ALA A 17 17.451 -23.830 -25.477 1.00 44.44 C ATOM 258 C ALA A 17 16.412 -22.736 -25.695 1.00 53.43 C ATOM 259 O ALA A 17 15.536 -22.859 -26.552 1.00 31.23 O ATOM 260 CB ALA A 17 18.441 -23.858 -26.633 1.00 53.11 C ATOM 0 HA ALA A 17 17.990 -23.605 -24.557 1.00 44.44 H new ATOM 0 HB1 ALA A 17 18.907 -22.878 -26.737 1.00 53.11 H new ATOM 0 HB2 ALA A 17 19.209 -24.606 -26.436 1.00 53.11 H new ATOM 0 HB3 ALA A 17 17.917 -24.110 -27.555 1.00 53.11 H new ATOM 266 N PHE A 18 16.514 -21.665 -24.915 1.00 14.04 N ATOM 267 CA PHE A 18 15.579 -20.550 -25.020 1.00 30.54 C ATOM 268 C PHE A 18 16.189 -19.402 -25.818 1.00 63.42 C ATOM 269 O PHE A 18 17.398 -19.171 -25.772 1.00 21.31 O ATOM 270 CB PHE A 18 15.177 -20.061 -23.627 1.00 5.13 C ATOM 271 CG PHE A 18 14.129 -20.913 -22.971 1.00 74.01 C ATOM 272 CD1 PHE A 18 14.434 -21.675 -21.855 1.00 2.22 C ATOM 273 CD2 PHE A 18 12.837 -20.953 -23.471 1.00 41.45 C ATOM 274 CE1 PHE A 18 13.471 -22.460 -21.249 1.00 3.31 C ATOM 275 CE2 PHE A 18 11.870 -21.735 -22.870 1.00 20.24 C ATOM 276 CZ PHE A 18 12.188 -22.491 -21.758 1.00 13.33 C ATOM 0 H PHE A 18 17.235 -21.545 -24.203 1.00 14.04 H new ATOM 0 HA PHE A 18 14.690 -20.902 -25.544 1.00 30.54 H new ATOM 0 HB2 PHE A 18 16.062 -20.034 -22.991 1.00 5.13 H new ATOM 0 HB3 PHE A 18 14.807 -19.038 -23.703 1.00 5.13 H new ATOM 0 HD1 PHE A 18 15.436 -21.656 -21.454 1.00 2.22 H new ATOM 0 HD2 PHE A 18 12.583 -20.366 -24.341 1.00 41.45 H new ATOM 0 HE1 PHE A 18 13.722 -23.048 -20.379 1.00 3.31 H new ATOM 0 HE2 PHE A 18 10.867 -21.756 -23.269 1.00 20.24 H new ATOM 0 HZ PHE A 18 11.434 -23.105 -21.288 1.00 13.33 H new ATOM 286 N THR A 19 15.344 -18.685 -26.552 1.00 41.20 N ATOM 287 CA THR A 19 15.799 -17.561 -27.362 1.00 35.45 C ATOM 288 C THR A 19 14.657 -16.592 -27.646 1.00 44.50 C ATOM 289 O THR A 19 13.549 -17.004 -27.987 1.00 72.53 O ATOM 290 CB THR A 19 16.397 -18.038 -28.698 1.00 63.03 C ATOM 291 OG1 THR A 19 15.683 -19.184 -29.174 1.00 54.14 O ATOM 292 CG2 THR A 19 17.870 -18.383 -28.539 1.00 43.11 C ATOM 0 H THR A 19 14.341 -18.862 -26.602 1.00 41.20 H new ATOM 0 HA THR A 19 16.572 -17.050 -26.789 1.00 35.45 H new ATOM 0 HB THR A 19 16.305 -17.227 -29.421 1.00 63.03 H new ATOM 0 HG1 THR A 19 16.069 -19.480 -30.025 1.00 54.14 H new ATOM 0 HG21 THR A 19 18.271 -18.717 -29.496 1.00 43.11 H new ATOM 0 HG22 THR A 19 18.416 -17.501 -28.205 1.00 43.11 H new ATOM 0 HG23 THR A 19 17.980 -19.178 -27.802 1.00 43.11 H new ATOM 300 N PHE A 20 14.936 -15.300 -27.504 1.00 54.21 N ATOM 301 CA PHE A 20 13.932 -14.270 -27.747 1.00 35.45 C ATOM 302 C PHE A 20 13.567 -14.204 -29.227 1.00 30.13 C ATOM 303 O PHE A 20 14.431 -14.318 -30.097 1.00 52.41 O ATOM 304 CB PHE A 20 14.443 -12.908 -27.274 1.00 51.00 C ATOM 305 CG PHE A 20 14.509 -12.778 -25.779 1.00 41.01 C ATOM 306 CD1 PHE A 20 13.377 -12.969 -25.003 1.00 64.21 C ATOM 307 CD2 PHE A 20 15.703 -12.464 -25.150 1.00 61.00 C ATOM 308 CE1 PHE A 20 13.435 -12.851 -23.627 1.00 51.21 C ATOM 309 CE2 PHE A 20 15.767 -12.345 -23.775 1.00 13.34 C ATOM 310 CZ PHE A 20 14.631 -12.537 -23.012 1.00 61.03 C ATOM 0 H PHE A 20 15.848 -14.942 -27.222 1.00 54.21 H new ATOM 0 HA PHE A 20 13.037 -14.530 -27.182 1.00 35.45 H new ATOM 0 HB2 PHE A 20 15.436 -12.737 -27.690 1.00 51.00 H new ATOM 0 HB3 PHE A 20 13.793 -12.128 -27.670 1.00 51.00 H new ATOM 0 HD1 PHE A 20 12.439 -13.213 -25.479 1.00 64.21 H new ATOM 0 HD2 PHE A 20 16.594 -12.311 -25.741 1.00 61.00 H new ATOM 0 HE1 PHE A 20 12.546 -13.004 -23.033 1.00 51.21 H new ATOM 0 HE2 PHE A 20 16.704 -12.102 -23.297 1.00 13.34 H new ATOM 0 HZ PHE A 20 14.678 -12.442 -21.937 1.00 61.03 H new ATOM 320 N THR A 21 12.280 -14.020 -29.506 1.00 2.24 N ATOM 321 CA THR A 21 11.800 -13.940 -30.879 1.00 74.21 C ATOM 322 C THR A 21 11.135 -12.596 -31.152 1.00 42.41 C ATOM 323 O THR A 21 11.293 -12.021 -32.229 1.00 52.43 O ATOM 324 CB THR A 21 10.797 -15.068 -31.190 1.00 1.32 C ATOM 325 OG1 THR A 21 10.165 -14.827 -32.452 1.00 30.20 O ATOM 326 CG2 THR A 21 9.741 -15.169 -30.099 1.00 44.13 C ATOM 0 H THR A 21 11.552 -13.924 -28.798 1.00 2.24 H new ATOM 0 HA THR A 21 12.671 -14.049 -31.525 1.00 74.21 H new ATOM 0 HB THR A 21 11.344 -16.010 -31.232 1.00 1.32 H new ATOM 0 HG1 THR A 21 9.530 -15.549 -32.643 1.00 30.20 H new ATOM 0 HG21 THR A 21 9.044 -15.972 -30.340 1.00 44.13 H new ATOM 0 HG22 THR A 21 10.223 -15.381 -29.145 1.00 44.13 H new ATOM 0 HG23 THR A 21 9.198 -14.226 -30.030 1.00 44.13 H new ATOM 334 N LYS A 22 10.392 -12.098 -30.170 1.00 11.04 N ATOM 335 CA LYS A 22 9.705 -10.818 -30.302 1.00 23.53 C ATOM 336 C LYS A 22 10.246 -9.805 -29.299 1.00 0.45 C ATOM 337 O LYS A 22 9.966 -9.891 -28.102 1.00 63.55 O ATOM 338 CB LYS A 22 8.200 -11.001 -30.097 1.00 54.24 C ATOM 339 CG LYS A 22 7.377 -9.802 -30.537 1.00 34.24 C ATOM 340 CD LYS A 22 7.027 -9.877 -32.013 1.00 53.13 C ATOM 341 CE LYS A 22 6.595 -8.522 -32.553 1.00 43.12 C ATOM 342 NZ LYS A 22 5.140 -8.281 -32.347 1.00 43.44 N ATOM 0 H LYS A 22 10.250 -12.562 -29.273 1.00 11.04 H new ATOM 0 HA LYS A 22 9.885 -10.439 -31.308 1.00 23.53 H new ATOM 0 HB2 LYS A 22 7.870 -11.880 -30.650 1.00 54.24 H new ATOM 0 HB3 LYS A 22 8.006 -11.197 -29.042 1.00 54.24 H new ATOM 0 HG2 LYS A 22 6.462 -9.752 -29.947 1.00 34.24 H new ATOM 0 HG3 LYS A 22 7.934 -8.886 -30.340 1.00 34.24 H new ATOM 0 HD2 LYS A 22 7.890 -10.236 -32.575 1.00 53.13 H new ATOM 0 HD3 LYS A 22 6.226 -10.601 -32.162 1.00 53.13 H new ATOM 0 HE2 LYS A 22 7.167 -7.736 -32.060 1.00 43.12 H new ATOM 0 HE3 LYS A 22 6.826 -8.465 -33.617 1.00 43.12 H new ATOM 0 HZ1 LYS A 22 4.885 -7.348 -32.728 1.00 43.44 H new ATOM 0 HZ2 LYS A 22 4.593 -9.017 -32.838 1.00 43.44 H new ATOM 0 HZ3 LYS A 22 4.924 -8.310 -31.330 1.00 43.44 H new ATOM 356 N ILE A 23 11.020 -8.844 -29.793 1.00 75.34 N ATOM 357 CA ILE A 23 11.596 -7.813 -28.940 1.00 44.00 C ATOM 358 C ILE A 23 10.516 -7.095 -28.138 1.00 70.13 C ATOM 359 O ILE A 23 9.480 -6.691 -28.668 1.00 24.13 O ATOM 360 CB ILE A 23 12.383 -6.776 -29.763 1.00 62.23 C ATOM 361 CG1 ILE A 23 13.467 -7.468 -30.593 1.00 1.41 C ATOM 362 CG2 ILE A 23 12.997 -5.728 -28.847 1.00 65.23 C ATOM 363 CD1 ILE A 23 14.255 -6.519 -31.469 1.00 11.22 C ATOM 0 H ILE A 23 11.262 -8.759 -30.780 1.00 75.34 H new ATOM 0 HA ILE A 23 12.279 -8.316 -28.256 1.00 44.00 H new ATOM 0 HB ILE A 23 11.694 -6.276 -30.444 1.00 62.23 H new ATOM 0 HG12 ILE A 23 14.153 -7.984 -29.922 1.00 1.41 H new ATOM 0 HG13 ILE A 23 13.003 -8.228 -31.221 1.00 1.41 H new ATOM 0 HG21 ILE A 23 13.550 -5.002 -29.444 1.00 65.23 H new ATOM 0 HG22 ILE A 23 12.207 -5.218 -28.296 1.00 65.23 H new ATOM 0 HG23 ILE A 23 13.675 -6.212 -28.144 1.00 65.23 H new ATOM 0 HD11 ILE A 23 15.005 -7.078 -32.028 1.00 11.22 H new ATOM 0 HD12 ILE A 23 13.580 -6.021 -32.165 1.00 11.22 H new ATOM 0 HD13 ILE A 23 14.748 -5.773 -30.846 1.00 11.22 H new ATOM 375 N PRO A 24 10.762 -6.930 -26.830 1.00 55.31 N ATOM 376 CA PRO A 24 9.822 -6.258 -25.927 1.00 43.22 C ATOM 377 C PRO A 24 9.728 -4.760 -26.199 1.00 34.43 C ATOM 378 O PRO A 24 10.737 -4.098 -26.438 1.00 20.43 O ATOM 379 CB PRO A 24 10.419 -6.513 -24.541 1.00 32.22 C ATOM 380 CG PRO A 24 11.873 -6.721 -24.787 1.00 4.13 C ATOM 381 CD PRO A 24 11.975 -7.385 -26.132 1.00 22.42 C ATOM 0 HA PRO A 24 8.805 -6.633 -26.044 1.00 43.22 H new ATOM 0 HB2 PRO A 24 10.247 -5.668 -23.874 1.00 32.22 H new ATOM 0 HB3 PRO A 24 9.968 -7.387 -24.070 1.00 32.22 H new ATOM 0 HG2 PRO A 24 12.410 -5.772 -24.779 1.00 4.13 H new ATOM 0 HG3 PRO A 24 12.315 -7.344 -24.010 1.00 4.13 H new ATOM 0 HD2 PRO A 24 12.879 -7.084 -26.661 1.00 22.42 H new ATOM 0 HD3 PRO A 24 12.004 -8.471 -26.043 1.00 22.42 H new ATOM 389 N ALA A 25 8.509 -4.233 -26.160 1.00 15.52 N ATOM 390 CA ALA A 25 8.283 -2.813 -26.400 1.00 52.35 C ATOM 391 C ALA A 25 6.947 -2.363 -25.818 1.00 42.32 C ATOM 392 O ALA A 25 5.903 -2.942 -26.117 1.00 44.54 O ATOM 393 CB ALA A 25 8.338 -2.515 -27.892 1.00 11.14 C ATOM 0 H ALA A 25 7.663 -4.768 -25.965 1.00 15.52 H new ATOM 0 HA ALA A 25 9.074 -2.255 -25.899 1.00 52.35 H new ATOM 0 HB1 ALA A 25 8.168 -1.451 -28.057 1.00 11.14 H new ATOM 0 HB2 ALA A 25 9.318 -2.790 -28.282 1.00 11.14 H new ATOM 0 HB3 ALA A 25 7.568 -3.090 -28.406 1.00 11.14 H new ATOM 399 N GLU A 26 6.989 -1.328 -24.985 1.00 13.31 N ATOM 400 CA GLU A 26 5.781 -0.803 -24.359 1.00 52.21 C ATOM 401 C GLU A 26 4.877 -0.137 -25.393 1.00 64.44 C ATOM 402 O GLU A 26 5.353 0.436 -26.374 1.00 62.42 O ATOM 403 CB GLU A 26 6.143 0.200 -23.262 1.00 32.04 C ATOM 404 CG GLU A 26 4.946 0.954 -22.707 1.00 73.20 C ATOM 405 CD GLU A 26 4.713 2.278 -23.409 1.00 65.54 C ATOM 406 OE1 GLU A 26 5.352 2.512 -24.457 1.00 54.41 O ATOM 407 OE2 GLU A 26 3.895 3.078 -22.912 1.00 14.11 O ATOM 0 H GLU A 26 7.845 -0.837 -24.728 1.00 13.31 H new ATOM 0 HA GLU A 26 5.241 -1.639 -23.914 1.00 52.21 H new ATOM 0 HB2 GLU A 26 6.638 -0.328 -22.447 1.00 32.04 H new ATOM 0 HB3 GLU A 26 6.861 0.917 -23.660 1.00 32.04 H new ATOM 0 HG2 GLU A 26 4.055 0.334 -22.803 1.00 73.20 H new ATOM 0 HG3 GLU A 26 5.096 1.133 -21.642 1.00 73.20 H new ATOM 414 N THR A 27 3.570 -0.218 -25.168 1.00 13.14 N ATOM 415 CA THR A 27 2.599 0.374 -26.079 1.00 52.11 C ATOM 416 C THR A 27 1.765 1.440 -25.378 1.00 10.23 C ATOM 417 O THR A 27 2.022 1.785 -24.223 1.00 64.53 O ATOM 418 CB THR A 27 1.657 -0.693 -26.667 1.00 71.34 C ATOM 419 OG1 THR A 27 0.765 -1.172 -25.654 1.00 40.43 O ATOM 420 CG2 THR A 27 2.450 -1.857 -27.243 1.00 20.15 C ATOM 0 H THR A 27 3.159 -0.688 -24.362 1.00 13.14 H new ATOM 0 HA THR A 27 3.166 0.834 -26.888 1.00 52.11 H new ATOM 0 HB THR A 27 1.081 -0.234 -27.470 1.00 71.34 H new ATOM 0 HG1 THR A 27 0.168 -1.849 -26.037 1.00 40.43 H new ATOM 0 HG21 THR A 27 1.763 -2.598 -27.652 1.00 20.15 H new ATOM 0 HG22 THR A 27 3.106 -1.494 -28.034 1.00 20.15 H new ATOM 0 HG23 THR A 27 3.049 -2.314 -26.456 1.00 20.15 H new ATOM 428 N LEU A 28 0.765 1.959 -26.081 1.00 14.53 N ATOM 429 CA LEU A 28 -0.109 2.987 -25.524 1.00 71.24 C ATOM 430 C LEU A 28 -0.710 2.531 -24.198 1.00 41.15 C ATOM 431 O LEU A 28 -0.933 3.338 -23.296 1.00 1.53 O ATOM 432 CB LEU A 28 -1.226 3.325 -26.514 1.00 4.12 C ATOM 433 CG LEU A 28 -0.825 4.194 -27.706 1.00 41.14 C ATOM 434 CD1 LEU A 28 -1.980 4.319 -28.688 1.00 62.41 C ATOM 435 CD2 LEU A 28 -0.372 5.569 -27.236 1.00 64.44 C ATOM 0 H LEU A 28 0.539 1.686 -27.037 1.00 14.53 H new ATOM 0 HA LEU A 28 0.490 3.879 -25.342 1.00 71.24 H new ATOM 0 HB2 LEU A 28 -1.642 2.392 -26.894 1.00 4.12 H new ATOM 0 HB3 LEU A 28 -2.024 3.833 -25.972 1.00 4.12 H new ATOM 0 HG LEU A 28 0.009 3.713 -28.217 1.00 41.14 H new ATOM 0 HD11 LEU A 28 -1.676 4.941 -29.530 1.00 62.41 H new ATOM 0 HD12 LEU A 28 -2.259 3.329 -29.050 1.00 62.41 H new ATOM 0 HD13 LEU A 28 -2.834 4.776 -28.189 1.00 62.41 H new ATOM 0 HD21 LEU A 28 -0.090 6.174 -28.098 1.00 64.44 H new ATOM 0 HD22 LEU A 28 -1.186 6.057 -26.701 1.00 64.44 H new ATOM 0 HD23 LEU A 28 0.486 5.462 -26.572 1.00 64.44 H new ATOM 447 N HIS A 29 -0.968 1.232 -24.087 1.00 20.10 N ATOM 448 CA HIS A 29 -1.542 0.668 -22.870 1.00 42.13 C ATOM 449 C HIS A 29 -0.534 0.706 -21.726 1.00 5.42 C ATOM 450 O HIS A 29 -0.909 0.796 -20.558 1.00 23.14 O ATOM 451 CB HIS A 29 -1.998 -0.770 -23.115 1.00 71.45 C ATOM 452 CG HIS A 29 -3.105 -1.211 -22.208 1.00 12.51 C ATOM 453 ND1 HIS A 29 -4.175 -0.404 -21.880 1.00 21.52 N ATOM 454 CD2 HIS A 29 -3.306 -2.382 -21.559 1.00 43.43 C ATOM 455 CE1 HIS A 29 -4.984 -1.060 -21.067 1.00 74.04 C ATOM 456 NE2 HIS A 29 -4.480 -2.263 -20.857 1.00 40.54 N ATOM 0 H HIS A 29 -0.789 0.550 -24.824 1.00 20.10 H new ATOM 0 HA HIS A 29 -2.405 1.272 -22.591 1.00 42.13 H new ATOM 0 HB2 HIS A 29 -2.327 -0.867 -24.150 1.00 71.45 H new ATOM 0 HB3 HIS A 29 -1.147 -1.439 -22.987 1.00 71.45 H new ATOM 0 HD2 HIS A 29 -2.662 -3.249 -21.588 1.00 43.43 H new ATOM 0 HE1 HIS A 29 -5.902 -0.678 -20.646 1.00 74.04 H new ATOM 0 HE2 HIS A 29 -4.895 -2.986 -20.269 1.00 40.54 H new ATOM 464 N GLY A 30 0.749 0.637 -22.070 1.00 51.14 N ATOM 465 CA GLY A 30 1.791 0.664 -21.061 1.00 32.45 C ATOM 466 C GLY A 30 2.178 -0.725 -20.591 1.00 3.52 C ATOM 467 O GLY A 30 2.528 -0.920 -19.426 1.00 52.21 O ATOM 0 H GLY A 30 1.085 0.563 -23.030 1.00 51.14 H new ATOM 0 HA2 GLY A 30 2.670 1.166 -21.464 1.00 32.45 H new ATOM 0 HA3 GLY A 30 1.452 1.252 -20.208 1.00 32.45 H new ATOM 471 N THR A 31 2.115 -1.694 -21.498 1.00 45.15 N ATOM 472 CA THR A 31 2.458 -3.072 -21.170 1.00 1.10 C ATOM 473 C THR A 31 3.442 -3.650 -22.181 1.00 3.44 C ATOM 474 O THR A 31 3.385 -3.333 -23.369 1.00 4.32 O ATOM 475 CB THR A 31 1.205 -3.966 -21.122 1.00 71.20 C ATOM 476 OG1 THR A 31 0.545 -3.954 -22.393 1.00 1.41 O ATOM 477 CG2 THR A 31 0.244 -3.494 -20.041 1.00 50.24 C ATOM 0 H THR A 31 1.829 -1.550 -22.467 1.00 45.15 H new ATOM 0 HA THR A 31 2.922 -3.056 -20.184 1.00 1.10 H new ATOM 0 HB THR A 31 1.520 -4.983 -20.887 1.00 71.20 H new ATOM 0 HG1 THR A 31 -0.250 -4.526 -22.354 1.00 1.41 H new ATOM 0 HG21 THR A 31 -0.633 -4.141 -20.026 1.00 50.24 H new ATOM 0 HG22 THR A 31 0.740 -3.533 -19.071 1.00 50.24 H new ATOM 0 HG23 THR A 31 -0.064 -2.470 -20.250 1.00 50.24 H new ATOM 485 N VAL A 32 4.345 -4.500 -21.701 1.00 52.14 N ATOM 486 CA VAL A 32 5.343 -5.122 -22.563 1.00 55.05 C ATOM 487 C VAL A 32 5.135 -6.630 -22.645 1.00 31.11 C ATOM 488 O VAL A 32 4.815 -7.279 -21.648 1.00 72.34 O ATOM 489 CB VAL A 32 6.772 -4.838 -22.064 1.00 15.20 C ATOM 490 CG1 VAL A 32 7.033 -5.563 -20.753 1.00 1.23 C ATOM 491 CG2 VAL A 32 7.793 -5.239 -23.117 1.00 42.43 C ATOM 0 H VAL A 32 4.406 -4.773 -20.720 1.00 52.14 H new ATOM 0 HA VAL A 32 5.220 -4.687 -23.555 1.00 55.05 H new ATOM 0 HB VAL A 32 6.870 -3.767 -21.885 1.00 15.20 H new ATOM 0 HG11 VAL A 32 8.047 -5.351 -20.416 1.00 1.23 H new ATOM 0 HG12 VAL A 32 6.322 -5.222 -20.001 1.00 1.23 H new ATOM 0 HG13 VAL A 32 6.917 -6.637 -20.902 1.00 1.23 H new ATOM 0 HG21 VAL A 32 8.797 -5.031 -22.748 1.00 42.43 H new ATOM 0 HG22 VAL A 32 7.697 -6.304 -23.330 1.00 42.43 H new ATOM 0 HG23 VAL A 32 7.617 -4.670 -24.030 1.00 42.43 H new ATOM 501 N THR A 33 5.320 -7.184 -23.839 1.00 54.13 N ATOM 502 CA THR A 33 5.151 -8.616 -24.052 1.00 54.33 C ATOM 503 C THR A 33 6.484 -9.287 -24.361 1.00 41.10 C ATOM 504 O THR A 33 7.341 -8.710 -25.031 1.00 13.33 O ATOM 505 CB THR A 33 4.167 -8.900 -25.203 1.00 61.31 C ATOM 506 OG1 THR A 33 4.787 -8.610 -26.461 1.00 24.23 O ATOM 507 CG2 THR A 33 2.902 -8.069 -25.052 1.00 2.30 C ATOM 0 H THR A 33 5.587 -6.662 -24.674 1.00 54.13 H new ATOM 0 HA THR A 33 4.746 -9.028 -23.127 1.00 54.33 H new ATOM 0 HB THR A 33 3.896 -9.955 -25.167 1.00 61.31 H new ATOM 0 HG1 THR A 33 4.155 -8.795 -27.187 1.00 24.23 H new ATOM 0 HG21 THR A 33 2.223 -8.287 -25.876 1.00 2.30 H new ATOM 0 HG22 THR A 33 2.416 -8.314 -24.107 1.00 2.30 H new ATOM 0 HG23 THR A 33 3.159 -7.010 -25.064 1.00 2.30 H new ATOM 515 N VAL A 34 6.654 -10.510 -23.869 1.00 74.11 N ATOM 516 CA VAL A 34 7.882 -11.262 -24.096 1.00 1.21 C ATOM 517 C VAL A 34 7.586 -12.631 -24.698 1.00 14.15 C ATOM 518 O VAL A 34 6.784 -13.395 -24.161 1.00 10.42 O ATOM 519 CB VAL A 34 8.675 -11.448 -22.789 1.00 22.52 C ATOM 520 CG1 VAL A 34 7.830 -12.169 -21.749 1.00 61.05 C ATOM 521 CG2 VAL A 34 9.968 -12.205 -23.054 1.00 42.20 C ATOM 0 H VAL A 34 5.956 -11.001 -23.310 1.00 74.11 H new ATOM 0 HA VAL A 34 8.482 -10.683 -24.798 1.00 1.21 H new ATOM 0 HB VAL A 34 8.930 -10.464 -22.396 1.00 22.52 H new ATOM 0 HG11 VAL A 34 8.407 -12.291 -20.832 1.00 61.05 H new ATOM 0 HG12 VAL A 34 6.935 -11.584 -21.539 1.00 61.05 H new ATOM 0 HG13 VAL A 34 7.542 -13.149 -22.130 1.00 61.05 H new ATOM 0 HG21 VAL A 34 10.516 -12.328 -22.120 1.00 42.20 H new ATOM 0 HG22 VAL A 34 9.737 -13.185 -23.470 1.00 42.20 H new ATOM 0 HG23 VAL A 34 10.579 -11.645 -23.762 1.00 42.20 H new ATOM 531 N GLU A 35 8.239 -12.934 -25.815 1.00 75.11 N ATOM 532 CA GLU A 35 8.045 -14.213 -26.489 1.00 40.30 C ATOM 533 C GLU A 35 9.386 -14.860 -26.822 1.00 71.43 C ATOM 534 O GLU A 35 10.366 -14.173 -27.110 1.00 11.02 O ATOM 535 CB GLU A 35 7.227 -14.022 -27.768 1.00 14.33 C ATOM 536 CG GLU A 35 6.490 -15.274 -28.211 1.00 74.24 C ATOM 537 CD GLU A 35 5.800 -15.102 -29.551 1.00 3.21 C ATOM 538 OE1 GLU A 35 4.765 -15.763 -29.774 1.00 35.21 O ATOM 539 OE2 GLU A 35 6.296 -14.306 -30.376 1.00 21.50 O ATOM 0 H GLU A 35 8.906 -12.313 -26.272 1.00 75.11 H new ATOM 0 HA GLU A 35 7.500 -14.872 -25.813 1.00 40.30 H new ATOM 0 HB2 GLU A 35 6.504 -13.221 -27.611 1.00 14.33 H new ATOM 0 HB3 GLU A 35 7.891 -13.699 -28.569 1.00 14.33 H new ATOM 0 HG2 GLU A 35 7.195 -16.103 -28.273 1.00 74.24 H new ATOM 0 HG3 GLU A 35 5.750 -15.541 -27.457 1.00 74.24 H new ATOM 546 N VAL A 36 9.421 -16.189 -26.781 1.00 4.41 N ATOM 547 CA VAL A 36 10.641 -16.930 -27.076 1.00 64.44 C ATOM 548 C VAL A 36 10.341 -18.174 -27.905 1.00 62.23 C ATOM 549 O VAL A 36 9.182 -18.544 -28.088 1.00 71.44 O ATOM 550 CB VAL A 36 11.369 -17.350 -25.786 1.00 23.44 C ATOM 551 CG1 VAL A 36 11.808 -16.126 -24.997 1.00 42.12 C ATOM 552 CG2 VAL A 36 10.478 -18.248 -24.940 1.00 44.10 C ATOM 0 H VAL A 36 8.619 -16.773 -26.546 1.00 4.41 H new ATOM 0 HA VAL A 36 11.286 -16.262 -27.647 1.00 64.44 H new ATOM 0 HB VAL A 36 12.260 -17.914 -26.060 1.00 23.44 H new ATOM 0 HG11 VAL A 36 12.321 -16.443 -24.089 1.00 42.12 H new ATOM 0 HG12 VAL A 36 12.485 -15.525 -25.605 1.00 42.12 H new ATOM 0 HG13 VAL A 36 10.934 -15.532 -24.731 1.00 42.12 H new ATOM 0 HG21 VAL A 36 11.008 -18.535 -24.032 1.00 44.10 H new ATOM 0 HG22 VAL A 36 9.568 -17.711 -24.674 1.00 44.10 H new ATOM 0 HG23 VAL A 36 10.219 -19.142 -25.507 1.00 44.10 H new ATOM 562 N GLN A 37 11.394 -18.815 -28.403 1.00 52.25 N ATOM 563 CA GLN A 37 11.242 -20.018 -29.213 1.00 42.35 C ATOM 564 C GLN A 37 11.515 -21.269 -28.386 1.00 32.33 C ATOM 565 O GLN A 37 12.635 -21.489 -27.926 1.00 24.54 O ATOM 566 CB GLN A 37 12.187 -19.971 -30.415 1.00 62.05 C ATOM 567 CG GLN A 37 11.632 -19.190 -31.596 1.00 4.45 C ATOM 568 CD GLN A 37 12.618 -19.088 -32.743 1.00 74.33 C ATOM 569 OE1 GLN A 37 13.702 -19.670 -32.699 1.00 50.11 O ATOM 570 NE2 GLN A 37 12.245 -18.347 -33.780 1.00 73.11 N ATOM 0 H GLN A 37 12.360 -18.522 -28.260 1.00 52.25 H new ATOM 0 HA GLN A 37 10.213 -20.058 -29.570 1.00 42.35 H new ATOM 0 HB2 GLN A 37 13.132 -19.524 -30.106 1.00 62.05 H new ATOM 0 HB3 GLN A 37 12.406 -20.990 -30.735 1.00 62.05 H new ATOM 0 HG2 GLN A 37 10.719 -19.671 -31.948 1.00 4.45 H new ATOM 0 HG3 GLN A 37 11.358 -18.188 -31.267 1.00 4.45 H new ATOM 0 HE21 GLN A 37 11.337 -17.882 -33.774 1.00 73.11 H new ATOM 0 HE22 GLN A 37 12.866 -18.243 -34.582 1.00 73.11 H new ATOM 579 N TYR A 38 10.484 -22.086 -28.200 1.00 15.52 N ATOM 580 CA TYR A 38 10.612 -23.315 -27.427 1.00 33.04 C ATOM 581 C TYR A 38 11.031 -24.479 -28.319 1.00 44.23 C ATOM 582 O TYR A 38 10.213 -25.051 -29.038 1.00 35.44 O ATOM 583 CB TYR A 38 9.291 -23.644 -26.729 1.00 14.41 C ATOM 584 CG TYR A 38 9.459 -24.463 -25.469 1.00 75.03 C ATOM 585 CD1 TYR A 38 9.771 -25.815 -25.534 1.00 32.53 C ATOM 586 CD2 TYR A 38 9.304 -23.885 -24.215 1.00 71.53 C ATOM 587 CE1 TYR A 38 9.924 -26.568 -24.386 1.00 25.54 C ATOM 588 CE2 TYR A 38 9.457 -24.630 -23.062 1.00 62.30 C ATOM 589 CZ TYR A 38 9.767 -25.971 -23.152 1.00 62.33 C ATOM 590 OH TYR A 38 9.919 -26.717 -22.006 1.00 3.01 O ATOM 0 H TYR A 38 9.550 -21.919 -28.574 1.00 15.52 H new ATOM 0 HA TYR A 38 11.385 -23.161 -26.674 1.00 33.04 H new ATOM 0 HB2 TYR A 38 8.779 -22.714 -26.482 1.00 14.41 H new ATOM 0 HB3 TYR A 38 8.649 -24.187 -27.422 1.00 14.41 H new ATOM 0 HD1 TYR A 38 9.896 -26.285 -26.498 1.00 32.53 H new ATOM 0 HD2 TYR A 38 9.060 -22.836 -24.141 1.00 71.53 H new ATOM 0 HE1 TYR A 38 10.165 -27.619 -24.454 1.00 25.54 H new ATOM 0 HE2 TYR A 38 9.335 -24.165 -22.095 1.00 62.30 H new ATOM 0 HH TYR A 38 9.776 -26.146 -21.223 1.00 3.01 H new ATOM 600 N ALA A 39 12.314 -24.823 -28.267 1.00 70.14 N ATOM 601 CA ALA A 39 12.843 -25.920 -29.068 1.00 23.54 C ATOM 602 C ALA A 39 13.018 -27.179 -28.225 1.00 64.52 C ATOM 603 O ALA A 39 14.140 -27.583 -27.920 1.00 12.23 O ATOM 604 CB ALA A 39 14.167 -25.520 -29.703 1.00 14.12 C ATOM 0 H ALA A 39 13.006 -24.358 -27.679 1.00 70.14 H new ATOM 0 HA ALA A 39 12.125 -26.139 -29.859 1.00 23.54 H new ATOM 0 HB1 ALA A 39 14.550 -26.349 -30.298 1.00 14.12 H new ATOM 0 HB2 ALA A 39 14.015 -24.652 -30.345 1.00 14.12 H new ATOM 0 HB3 ALA A 39 14.885 -25.272 -28.921 1.00 14.12 H new ATOM 675 N LYS A 46 5.435 -25.342 -18.325 1.00 1.22 N ATOM 676 CA LYS A 46 5.139 -23.932 -18.102 1.00 13.32 C ATOM 677 C LYS A 46 6.246 -23.047 -18.666 1.00 31.10 C ATOM 678 O LYS A 46 7.421 -23.414 -18.642 1.00 33.43 O ATOM 679 CB LYS A 46 4.963 -23.656 -16.607 1.00 25.43 C ATOM 680 CG LYS A 46 3.667 -24.204 -16.035 1.00 62.12 C ATOM 681 CD LYS A 46 3.617 -24.055 -14.524 1.00 22.42 C ATOM 682 CE LYS A 46 4.289 -25.228 -13.826 1.00 34.32 C ATOM 683 NZ LYS A 46 4.781 -24.859 -12.470 1.00 14.13 N ATOM 0 HA LYS A 46 4.210 -23.696 -18.621 1.00 13.32 H new ATOM 0 HB2 LYS A 46 5.802 -24.091 -16.065 1.00 25.43 H new ATOM 0 HB3 LYS A 46 4.998 -22.580 -16.438 1.00 25.43 H new ATOM 0 HG2 LYS A 46 2.821 -23.681 -16.481 1.00 62.12 H new ATOM 0 HG3 LYS A 46 3.567 -25.256 -16.301 1.00 62.12 H new ATOM 0 HD2 LYS A 46 4.108 -23.127 -14.232 1.00 22.42 H new ATOM 0 HD3 LYS A 46 2.579 -23.982 -14.199 1.00 22.42 H new ATOM 0 HE2 LYS A 46 3.583 -26.054 -13.744 1.00 34.32 H new ATOM 0 HE3 LYS A 46 5.124 -25.581 -14.432 1.00 34.32 H new ATOM 0 HZ1 LYS A 46 5.232 -25.685 -12.028 1.00 14.13 H new ATOM 0 HZ2 LYS A 46 5.474 -24.088 -12.550 1.00 14.13 H new ATOM 0 HZ3 LYS A 46 3.981 -24.546 -11.884 1.00 14.13 H new ATOM 697 N VAL A 47 5.864 -21.879 -19.173 1.00 32.15 N ATOM 698 CA VAL A 47 6.825 -20.941 -19.740 1.00 12.31 C ATOM 699 C VAL A 47 7.009 -19.728 -18.834 1.00 62.24 C ATOM 700 O VAL A 47 6.282 -18.739 -18.924 1.00 42.34 O ATOM 701 CB VAL A 47 6.385 -20.463 -21.136 1.00 51.44 C ATOM 702 CG1 VAL A 47 7.430 -19.534 -21.737 1.00 35.04 C ATOM 703 CG2 VAL A 47 6.129 -21.652 -22.050 1.00 12.30 C ATOM 0 H VAL A 47 4.896 -21.560 -19.203 1.00 32.15 H new ATOM 0 HA VAL A 47 7.773 -21.472 -19.828 1.00 12.31 H new ATOM 0 HB VAL A 47 5.454 -19.906 -21.033 1.00 51.44 H new ATOM 0 HG11 VAL A 47 7.102 -19.207 -22.723 1.00 35.04 H new ATOM 0 HG12 VAL A 47 7.560 -18.666 -21.091 1.00 35.04 H new ATOM 0 HG13 VAL A 47 8.378 -20.063 -21.828 1.00 35.04 H new ATOM 0 HG21 VAL A 47 5.819 -21.296 -23.032 1.00 12.30 H new ATOM 0 HG22 VAL A 47 7.042 -22.239 -22.148 1.00 12.30 H new ATOM 0 HG23 VAL A 47 5.342 -22.275 -21.625 1.00 12.30 H new ATOM 713 N PRO A 48 8.006 -19.804 -17.940 1.00 34.14 N ATOM 714 CA PRO A 48 8.311 -18.720 -17.001 1.00 63.04 C ATOM 715 C PRO A 48 8.899 -17.498 -17.699 1.00 64.30 C ATOM 716 O PRO A 48 9.657 -17.626 -18.661 1.00 15.43 O ATOM 717 CB PRO A 48 9.343 -19.346 -16.060 1.00 32.33 C ATOM 718 CG PRO A 48 9.983 -20.426 -16.863 1.00 12.43 C ATOM 719 CD PRO A 48 8.911 -20.954 -17.775 1.00 52.13 C ATOM 0 HA PRO A 48 7.417 -18.356 -16.494 1.00 63.04 H new ATOM 0 HB2 PRO A 48 10.076 -18.610 -15.731 1.00 32.33 H new ATOM 0 HB3 PRO A 48 8.870 -19.747 -15.164 1.00 32.33 H new ATOM 0 HG2 PRO A 48 10.826 -20.039 -17.435 1.00 12.43 H new ATOM 0 HG3 PRO A 48 10.370 -21.215 -16.218 1.00 12.43 H new ATOM 0 HD2 PRO A 48 9.322 -21.282 -18.730 1.00 52.13 H new ATOM 0 HD3 PRO A 48 8.397 -21.810 -17.338 1.00 52.13 H new ATOM 727 N ALA A 49 8.546 -16.315 -17.208 1.00 24.03 N ATOM 728 CA ALA A 49 9.041 -15.071 -17.783 1.00 4.51 C ATOM 729 C ALA A 49 8.973 -13.932 -16.770 1.00 60.34 C ATOM 730 O ALA A 49 7.903 -13.616 -16.251 1.00 23.12 O ATOM 731 CB ALA A 49 8.250 -14.716 -19.033 1.00 42.41 C ATOM 0 H ALA A 49 7.919 -16.192 -16.413 1.00 24.03 H new ATOM 0 HA ALA A 49 10.086 -15.217 -18.057 1.00 4.51 H new ATOM 0 HB1 ALA A 49 8.631 -13.784 -19.452 1.00 42.41 H new ATOM 0 HB2 ALA A 49 8.354 -15.514 -19.768 1.00 42.41 H new ATOM 0 HB3 ALA A 49 7.198 -14.595 -18.776 1.00 42.41 H new ATOM 737 N GLN A 50 10.121 -13.322 -16.495 1.00 10.20 N ATOM 738 CA GLN A 50 10.190 -12.219 -15.544 1.00 10.32 C ATOM 739 C GLN A 50 11.558 -11.547 -15.588 1.00 4.14 C ATOM 740 O GLN A 50 12.467 -12.012 -16.275 1.00 21.10 O ATOM 741 CB GLN A 50 9.900 -12.720 -14.128 1.00 14.41 C ATOM 742 CG GLN A 50 10.886 -13.767 -13.639 1.00 24.51 C ATOM 743 CD GLN A 50 12.181 -13.160 -13.135 1.00 72.11 C ATOM 744 OE1 GLN A 50 13.216 -13.237 -13.798 1.00 34.41 O ATOM 745 NE2 GLN A 50 12.130 -12.551 -11.956 1.00 54.33 N ATOM 0 H GLN A 50 11.015 -13.573 -16.917 1.00 10.20 H new ATOM 0 HA GLN A 50 9.435 -11.484 -15.823 1.00 10.32 H new ATOM 0 HB2 GLN A 50 9.913 -11.873 -13.442 1.00 14.41 H new ATOM 0 HB3 GLN A 50 8.894 -13.139 -14.099 1.00 14.41 H new ATOM 0 HG2 GLN A 50 10.426 -14.348 -12.839 1.00 24.51 H new ATOM 0 HG3 GLN A 50 11.106 -14.460 -14.451 1.00 24.51 H new ATOM 0 HE21 GLN A 50 11.251 -12.511 -11.440 1.00 54.33 H new ATOM 0 HE22 GLN A 50 12.970 -12.124 -11.566 1.00 54.33 H new ATOM 754 N MET A 51 11.698 -10.450 -14.850 1.00 33.32 N ATOM 755 CA MET A 51 12.957 -9.716 -14.803 1.00 53.12 C ATOM 756 C MET A 51 13.369 -9.434 -13.362 1.00 15.12 C ATOM 757 O MET A 51 12.580 -9.616 -12.434 1.00 43.24 O ATOM 758 CB MET A 51 12.834 -8.402 -15.577 1.00 63.03 C ATOM 759 CG MET A 51 11.767 -7.470 -15.027 1.00 41.33 C ATOM 760 SD MET A 51 10.151 -7.745 -15.777 1.00 73.03 S ATOM 761 CE MET A 51 9.121 -7.891 -14.319 1.00 2.11 C ATOM 0 H MET A 51 10.955 -10.050 -14.277 1.00 33.32 H new ATOM 0 HA MET A 51 13.726 -10.333 -15.267 1.00 53.12 H new ATOM 0 HB2 MET A 51 13.796 -7.889 -15.561 1.00 63.03 H new ATOM 0 HB3 MET A 51 12.608 -8.624 -16.620 1.00 63.03 H new ATOM 0 HG2 MET A 51 11.691 -7.608 -13.948 1.00 41.33 H new ATOM 0 HG3 MET A 51 12.070 -6.437 -15.196 1.00 41.33 H new ATOM 0 HE1 MET A 51 8.073 -7.922 -14.616 1.00 2.11 H new ATOM 0 HE2 MET A 51 9.374 -8.807 -13.785 1.00 2.11 H new ATOM 0 HE3 MET A 51 9.289 -7.033 -13.668 1.00 2.11 H new ATOM 771 N ALA A 52 14.608 -8.989 -13.181 1.00 72.23 N ATOM 772 CA ALA A 52 15.122 -8.679 -11.853 1.00 64.13 C ATOM 773 C ALA A 52 16.174 -7.577 -11.916 1.00 11.45 C ATOM 774 O ALA A 52 17.008 -7.550 -12.821 1.00 74.20 O ATOM 775 CB ALA A 52 15.702 -9.929 -11.207 1.00 45.51 C ATOM 0 H ALA A 52 15.274 -8.835 -13.938 1.00 72.23 H new ATOM 0 HA ALA A 52 14.293 -8.320 -11.243 1.00 64.13 H new ATOM 0 HB1 ALA A 52 16.082 -9.683 -10.216 1.00 45.51 H new ATOM 0 HB2 ALA A 52 14.924 -10.688 -11.119 1.00 45.51 H new ATOM 0 HB3 ALA A 52 16.515 -10.313 -11.823 1.00 45.51 H new ATOM 781 N VAL A 53 16.129 -6.667 -10.948 1.00 12.45 N ATOM 782 CA VAL A 53 17.078 -5.562 -10.892 1.00 42.52 C ATOM 783 C VAL A 53 18.452 -6.040 -10.437 1.00 3.22 C ATOM 784 O VAL A 53 19.479 -5.576 -10.934 1.00 74.13 O ATOM 785 CB VAL A 53 16.592 -4.451 -9.942 1.00 23.12 C ATOM 786 CG1 VAL A 53 17.536 -3.259 -9.987 1.00 11.05 C ATOM 787 CG2 VAL A 53 15.173 -4.032 -10.295 1.00 2.24 C ATOM 0 H VAL A 53 15.445 -6.674 -10.192 1.00 12.45 H new ATOM 0 HA VAL A 53 17.153 -5.158 -11.902 1.00 42.52 H new ATOM 0 HB VAL A 53 16.588 -4.842 -8.925 1.00 23.12 H new ATOM 0 HG11 VAL A 53 17.176 -2.484 -9.310 1.00 11.05 H new ATOM 0 HG12 VAL A 53 18.534 -3.573 -9.682 1.00 11.05 H new ATOM 0 HG13 VAL A 53 17.575 -2.864 -11.002 1.00 11.05 H new ATOM 0 HG21 VAL A 53 14.846 -3.246 -9.614 1.00 2.24 H new ATOM 0 HG22 VAL A 53 15.148 -3.658 -11.319 1.00 2.24 H new ATOM 0 HG23 VAL A 53 14.507 -4.890 -10.206 1.00 2.24 H new ATOM 797 N ASP A 54 18.464 -6.970 -9.489 1.00 24.04 N ATOM 798 CA ASP A 54 19.713 -7.514 -8.967 1.00 11.32 C ATOM 799 C ASP A 54 20.112 -8.778 -9.721 1.00 31.53 C ATOM 800 O ASP A 54 19.269 -9.453 -10.311 1.00 34.14 O ATOM 801 CB ASP A 54 19.578 -7.816 -7.474 1.00 34.43 C ATOM 802 CG ASP A 54 19.811 -6.592 -6.611 1.00 54.52 C ATOM 803 OD1 ASP A 54 20.978 -6.334 -6.249 1.00 51.21 O ATOM 804 OD2 ASP A 54 18.826 -5.890 -6.299 1.00 71.21 O ATOM 0 H ASP A 54 17.623 -7.363 -9.066 1.00 24.04 H new ATOM 0 HA ASP A 54 20.494 -6.767 -9.109 1.00 11.32 H new ATOM 0 HB2 ASP A 54 18.582 -8.212 -7.275 1.00 34.43 H new ATOM 0 HB3 ASP A 54 20.291 -8.593 -7.198 1.00 34.43 H new ATOM 809 N MET A 55 21.403 -9.093 -9.697 1.00 40.44 N ATOM 810 CA MET A 55 21.914 -10.276 -10.379 1.00 74.24 C ATOM 811 C MET A 55 22.269 -11.370 -9.377 1.00 61.03 C ATOM 812 O MET A 55 22.082 -12.556 -9.648 1.00 42.21 O ATOM 813 CB MET A 55 23.142 -9.918 -11.218 1.00 51.10 C ATOM 814 CG MET A 55 23.371 -10.856 -12.392 1.00 24.45 C ATOM 815 SD MET A 55 24.721 -10.317 -13.458 1.00 65.43 S ATOM 816 CE MET A 55 23.860 -10.107 -15.014 1.00 60.15 C ATOM 0 H MET A 55 22.114 -8.545 -9.213 1.00 40.44 H new ATOM 0 HA MET A 55 21.131 -10.651 -11.038 1.00 74.24 H new ATOM 0 HB2 MET A 55 23.032 -8.900 -11.593 1.00 51.10 H new ATOM 0 HB3 MET A 55 24.024 -9.928 -10.578 1.00 51.10 H new ATOM 0 HG2 MET A 55 23.587 -11.856 -12.016 1.00 24.45 H new ATOM 0 HG3 MET A 55 22.456 -10.927 -12.979 1.00 24.45 H new ATOM 0 HE1 MET A 55 24.564 -9.775 -15.777 1.00 60.15 H new ATOM 0 HE2 MET A 55 23.418 -11.056 -15.316 1.00 60.15 H new ATOM 0 HE3 MET A 55 23.073 -9.362 -14.897 1.00 60.15 H new ATOM 826 N GLN A 56 22.782 -10.963 -8.221 1.00 1.12 N ATOM 827 CA GLN A 56 23.164 -11.910 -7.180 1.00 1.54 C ATOM 828 C GLN A 56 21.943 -12.648 -6.641 1.00 23.11 C ATOM 829 O GLN A 56 21.889 -13.878 -6.662 1.00 34.21 O ATOM 830 CB GLN A 56 23.880 -11.184 -6.039 1.00 65.23 C ATOM 831 CG GLN A 56 24.959 -10.223 -6.512 1.00 52.32 C ATOM 832 CD GLN A 56 25.963 -9.891 -5.426 1.00 34.35 C ATOM 833 OE1 GLN A 56 27.125 -10.293 -5.494 1.00 74.13 O ATOM 834 NE2 GLN A 56 25.519 -9.154 -4.414 1.00 32.40 N ATOM 0 H GLN A 56 22.943 -9.985 -7.981 1.00 1.12 H new ATOM 0 HA GLN A 56 23.843 -12.641 -7.620 1.00 1.54 H new ATOM 0 HB2 GLN A 56 23.145 -10.632 -5.453 1.00 65.23 H new ATOM 0 HB3 GLN A 56 24.329 -11.922 -5.374 1.00 65.23 H new ATOM 0 HG2 GLN A 56 25.481 -10.660 -7.363 1.00 52.32 H new ATOM 0 HG3 GLN A 56 24.492 -9.303 -6.863 1.00 52.32 H new ATOM 0 HE21 GLN A 56 24.548 -8.842 -4.398 1.00 32.40 H new ATOM 0 HE22 GLN A 56 26.149 -8.900 -3.653 1.00 32.40 H new ATOM 843 N THR A 57 20.964 -11.889 -6.157 1.00 64.44 N ATOM 844 CA THR A 57 19.745 -12.472 -5.611 1.00 1.50 C ATOM 845 C THR A 57 18.686 -12.645 -6.693 1.00 71.33 C ATOM 846 O THR A 57 17.917 -13.608 -6.676 1.00 4.14 O ATOM 847 CB THR A 57 19.167 -11.603 -4.478 1.00 21.34 C ATOM 848 OG1 THR A 57 18.000 -12.226 -3.930 1.00 73.10 O ATOM 849 CG2 THR A 57 18.815 -10.213 -4.986 1.00 61.53 C ATOM 0 H THR A 57 20.992 -10.870 -6.132 1.00 64.44 H new ATOM 0 HA THR A 57 20.014 -13.449 -5.210 1.00 1.50 H new ATOM 0 HB THR A 57 19.926 -11.506 -3.702 1.00 21.34 H new ATOM 0 HG1 THR A 57 17.732 -11.757 -3.112 1.00 73.10 H new ATOM 0 HG21 THR A 57 18.409 -9.619 -4.168 1.00 61.53 H new ATOM 0 HG22 THR A 57 19.711 -9.730 -5.375 1.00 61.53 H new ATOM 0 HG23 THR A 57 18.072 -10.293 -5.780 1.00 61.53 H new ATOM 857 N LEU A 58 18.650 -11.709 -7.635 1.00 61.22 N ATOM 858 CA LEU A 58 17.685 -11.760 -8.728 1.00 42.01 C ATOM 859 C LEU A 58 16.267 -11.933 -8.195 1.00 13.25 C ATOM 860 O LEU A 58 15.533 -12.823 -8.626 1.00 21.13 O ATOM 861 CB LEU A 58 18.026 -12.905 -9.683 1.00 22.30 C ATOM 862 CG LEU A 58 19.177 -12.648 -10.656 1.00 3.20 C ATOM 863 CD1 LEU A 58 19.904 -13.944 -10.978 1.00 71.34 C ATOM 864 CD2 LEU A 58 18.663 -11.992 -11.929 1.00 52.21 C ATOM 0 H LEU A 58 19.278 -10.906 -7.664 1.00 61.22 H new ATOM 0 HA LEU A 58 17.737 -10.816 -9.270 1.00 42.01 H new ATOM 0 HB2 LEU A 58 18.269 -13.786 -9.089 1.00 22.30 H new ATOM 0 HB3 LEU A 58 17.134 -13.146 -10.262 1.00 22.30 H new ATOM 0 HG LEU A 58 19.884 -11.968 -10.181 1.00 3.20 H new ATOM 0 HD11 LEU A 58 20.720 -13.741 -11.672 1.00 71.34 H new ATOM 0 HD12 LEU A 58 20.306 -14.373 -10.060 1.00 71.34 H new ATOM 0 HD13 LEU A 58 19.208 -14.648 -11.433 1.00 71.34 H new ATOM 0 HD21 LEU A 58 19.496 -11.817 -12.610 1.00 52.21 H new ATOM 0 HD22 LEU A 58 17.935 -12.647 -12.408 1.00 52.21 H new ATOM 0 HD23 LEU A 58 18.189 -11.042 -11.683 1.00 52.21 H new ATOM 876 N THR A 59 15.885 -11.074 -7.254 1.00 53.03 N ATOM 877 CA THR A 59 14.555 -11.131 -6.662 1.00 35.34 C ATOM 878 C THR A 59 13.481 -10.781 -7.686 1.00 32.55 C ATOM 879 O THR A 59 13.717 -10.042 -8.641 1.00 4.43 O ATOM 880 CB THR A 59 14.433 -10.175 -5.460 1.00 41.01 C ATOM 881 OG1 THR A 59 15.143 -8.961 -5.727 1.00 4.41 O ATOM 882 CG2 THR A 59 14.980 -10.821 -4.197 1.00 24.45 C ATOM 0 H THR A 59 16.479 -10.331 -6.886 1.00 53.03 H new ATOM 0 HA THR A 59 14.406 -12.155 -6.319 1.00 35.34 H new ATOM 0 HB THR A 59 13.377 -9.952 -5.306 1.00 41.01 H new ATOM 0 HG1 THR A 59 15.060 -8.358 -4.959 1.00 4.41 H new ATOM 0 HG21 THR A 59 14.883 -10.127 -3.362 1.00 24.45 H new ATOM 0 HG22 THR A 59 14.418 -11.730 -3.981 1.00 24.45 H new ATOM 0 HG23 THR A 59 16.031 -11.070 -4.342 1.00 24.45 H new ATOM 890 N PRO A 60 12.271 -11.324 -7.484 1.00 72.12 N ATOM 891 CA PRO A 60 11.136 -11.083 -8.380 1.00 40.13 C ATOM 892 C PRO A 60 10.618 -9.652 -8.287 1.00 51.33 C ATOM 893 O PRO A 60 10.308 -9.162 -7.201 1.00 70.31 O ATOM 894 CB PRO A 60 10.076 -12.069 -7.883 1.00 52.33 C ATOM 895 CG PRO A 60 10.419 -12.304 -6.453 1.00 34.42 C ATOM 896 CD PRO A 60 11.917 -12.214 -6.366 1.00 21.42 C ATOM 0 HA PRO A 60 11.407 -11.219 -9.427 1.00 40.13 H new ATOM 0 HB2 PRO A 60 9.072 -11.657 -7.987 1.00 52.33 H new ATOM 0 HB3 PRO A 60 10.100 -12.997 -8.454 1.00 52.33 H new ATOM 0 HG2 PRO A 60 9.946 -11.561 -5.811 1.00 34.42 H new ATOM 0 HG3 PRO A 60 10.067 -13.281 -6.123 1.00 34.42 H new ATOM 0 HD2 PRO A 60 12.240 -11.805 -5.409 1.00 21.42 H new ATOM 0 HD3 PRO A 60 12.385 -13.193 -6.468 1.00 21.42 H new ATOM 904 N VAL A 61 10.526 -8.985 -9.434 1.00 11.14 N ATOM 905 CA VAL A 61 10.044 -7.610 -9.481 1.00 53.24 C ATOM 906 C VAL A 61 8.881 -7.469 -10.458 1.00 3.32 C ATOM 907 O VAL A 61 8.732 -8.267 -11.382 1.00 23.45 O ATOM 908 CB VAL A 61 11.165 -6.636 -9.891 1.00 14.24 C ATOM 909 CG1 VAL A 61 12.344 -6.749 -8.937 1.00 44.52 C ATOM 910 CG2 VAL A 61 11.600 -6.898 -11.324 1.00 42.44 C ATOM 0 H VAL A 61 10.779 -9.375 -10.342 1.00 11.14 H new ATOM 0 HA VAL A 61 9.704 -7.359 -8.476 1.00 53.24 H new ATOM 0 HB VAL A 61 10.779 -5.618 -9.834 1.00 14.24 H new ATOM 0 HG11 VAL A 61 13.126 -6.054 -9.242 1.00 44.52 H new ATOM 0 HG12 VAL A 61 12.018 -6.508 -7.925 1.00 44.52 H new ATOM 0 HG13 VAL A 61 12.734 -7.767 -8.959 1.00 44.52 H new ATOM 0 HG21 VAL A 61 12.392 -6.201 -11.597 1.00 42.44 H new ATOM 0 HG22 VAL A 61 11.970 -7.920 -11.411 1.00 42.44 H new ATOM 0 HG23 VAL A 61 10.750 -6.761 -11.993 1.00 42.44 H new ATOM 920 N GLY A 62 8.059 -6.445 -10.247 1.00 31.44 N ATOM 921 CA GLY A 62 6.919 -6.218 -11.116 1.00 3.00 C ATOM 922 C GLY A 62 5.760 -7.145 -10.807 1.00 2.41 C ATOM 923 O GLY A 62 5.860 -8.003 -9.930 1.00 12.21 O ATOM 0 H GLY A 62 8.162 -5.769 -9.490 1.00 31.44 H new ATOM 0 HA2 GLY A 62 6.590 -5.184 -11.015 1.00 3.00 H new ATOM 0 HA3 GLY A 62 7.224 -6.356 -12.153 1.00 3.00 H new ATOM 927 N ARG A 63 4.657 -6.971 -11.527 1.00 42.44 N ATOM 928 CA ARG A 63 3.472 -7.795 -11.322 1.00 3.22 C ATOM 929 C ARG A 63 3.139 -8.591 -12.580 1.00 20.31 C ATOM 930 O ARG A 63 3.399 -8.144 -13.698 1.00 25.52 O ATOM 931 CB ARG A 63 2.280 -6.922 -10.927 1.00 52.42 C ATOM 932 CG ARG A 63 1.098 -7.712 -10.389 1.00 2.43 C ATOM 933 CD ARG A 63 -0.067 -6.800 -10.036 1.00 21.31 C ATOM 934 NE ARG A 63 -1.259 -7.556 -9.662 1.00 74.22 N ATOM 935 CZ ARG A 63 -2.058 -8.151 -10.541 1.00 61.14 C ATOM 936 NH1 ARG A 63 -1.792 -8.079 -11.838 1.00 52.43 N ATOM 937 NH2 ARG A 63 -3.125 -8.821 -10.124 1.00 5.23 N ATOM 0 H ARG A 63 4.559 -6.266 -12.258 1.00 42.44 H new ATOM 0 HA ARG A 63 3.683 -8.496 -10.515 1.00 3.22 H new ATOM 0 HB2 ARG A 63 2.601 -6.204 -10.172 1.00 52.42 H new ATOM 0 HB3 ARG A 63 1.957 -6.348 -11.796 1.00 52.42 H new ATOM 0 HG2 ARG A 63 0.778 -8.442 -11.133 1.00 2.43 H new ATOM 0 HG3 ARG A 63 1.405 -8.271 -9.505 1.00 2.43 H new ATOM 0 HD2 ARG A 63 0.221 -6.146 -9.213 1.00 21.31 H new ATOM 0 HD3 ARG A 63 -0.296 -6.159 -10.887 1.00 21.31 H new ATOM 0 HE ARG A 63 -1.491 -7.631 -8.672 1.00 74.22 H new ATOM 0 HH11 ARG A 63 -0.972 -7.566 -12.163 1.00 52.43 H new ATOM 0 HH12 ARG A 63 -2.407 -8.537 -12.511 1.00 52.43 H new ATOM 0 HH21 ARG A 63 -3.333 -8.880 -9.127 1.00 5.23 H new ATOM 0 HH22 ARG A 63 -3.737 -9.277 -10.800 1.00 5.23 H new ATOM 951 N LEU A 64 2.562 -9.773 -12.390 1.00 44.11 N ATOM 952 CA LEU A 64 2.193 -10.633 -13.509 1.00 50.54 C ATOM 953 C LEU A 64 0.872 -10.185 -14.127 1.00 32.23 C ATOM 954 O LEU A 64 0.006 -9.644 -13.439 1.00 11.14 O ATOM 955 CB LEU A 64 2.087 -12.087 -13.048 1.00 13.04 C ATOM 956 CG LEU A 64 3.409 -12.794 -12.748 1.00 72.41 C ATOM 957 CD1 LEU A 64 3.190 -13.949 -11.783 1.00 13.02 C ATOM 958 CD2 LEU A 64 4.053 -13.288 -14.035 1.00 60.04 C ATOM 0 H LEU A 64 2.340 -10.157 -11.472 1.00 44.11 H new ATOM 0 HA LEU A 64 2.972 -10.556 -14.267 1.00 50.54 H new ATOM 0 HB2 LEU A 64 1.469 -12.118 -12.150 1.00 13.04 H new ATOM 0 HB3 LEU A 64 1.561 -12.653 -13.817 1.00 13.04 H new ATOM 0 HG LEU A 64 4.083 -12.078 -12.278 1.00 72.41 H new ATOM 0 HD11 LEU A 64 4.142 -14.440 -11.581 1.00 13.02 H new ATOM 0 HD12 LEU A 64 2.773 -13.570 -10.850 1.00 13.02 H new ATOM 0 HD13 LEU A 64 2.498 -14.666 -12.225 1.00 13.02 H new ATOM 0 HD21 LEU A 64 4.993 -13.789 -13.803 1.00 60.04 H new ATOM 0 HD22 LEU A 64 3.382 -13.988 -14.532 1.00 60.04 H new ATOM 0 HD23 LEU A 64 4.246 -12.441 -14.694 1.00 60.04 H new ATOM 970 N ILE A 65 0.724 -10.417 -15.427 1.00 13.24 N ATOM 971 CA ILE A 65 -0.493 -10.041 -16.135 1.00 74.22 C ATOM 972 C ILE A 65 -1.255 -11.274 -16.611 1.00 41.43 C ATOM 973 O ILE A 65 -2.485 -11.315 -16.564 1.00 2.24 O ATOM 974 CB ILE A 65 -0.185 -9.142 -17.347 1.00 62.31 C ATOM 975 CG1 ILE A 65 0.569 -7.888 -16.900 1.00 63.15 C ATOM 976 CG2 ILE A 65 -1.470 -8.766 -18.068 1.00 54.51 C ATOM 977 CD1 ILE A 65 -0.196 -7.046 -15.904 1.00 2.04 C ATOM 0 H ILE A 65 1.431 -10.863 -16.011 1.00 13.24 H new ATOM 0 HA ILE A 65 -1.110 -9.485 -15.429 1.00 74.22 H new ATOM 0 HB ILE A 65 0.448 -9.696 -18.040 1.00 62.31 H new ATOM 0 HG12 ILE A 65 1.520 -8.184 -16.458 1.00 63.15 H new ATOM 0 HG13 ILE A 65 0.799 -7.281 -17.776 1.00 63.15 H new ATOM 0 HG21 ILE A 65 -1.235 -8.131 -18.922 1.00 54.51 H new ATOM 0 HG22 ILE A 65 -1.970 -9.670 -18.415 1.00 54.51 H new ATOM 0 HG23 ILE A 65 -2.126 -8.227 -17.385 1.00 54.51 H new ATOM 0 HD11 ILE A 65 0.399 -6.174 -15.632 1.00 2.04 H new ATOM 0 HD12 ILE A 65 -1.136 -6.719 -16.349 1.00 2.04 H new ATOM 0 HD13 ILE A 65 -0.403 -7.637 -15.012 1.00 2.04 H new ATOM 989 N THR A 66 -0.515 -12.279 -17.070 1.00 15.03 N ATOM 990 CA THR A 66 -1.120 -13.513 -17.556 1.00 51.41 C ATOM 991 C THR A 66 -1.604 -14.381 -16.400 1.00 42.23 C ATOM 992 O THR A 66 -1.386 -14.055 -15.234 1.00 32.23 O ATOM 993 CB THR A 66 -0.130 -14.324 -18.413 1.00 40.32 C ATOM 994 OG1 THR A 66 0.928 -13.476 -18.874 1.00 54.44 O ATOM 995 CG2 THR A 66 -0.836 -14.956 -19.603 1.00 41.54 C ATOM 0 H THR A 66 0.504 -12.262 -17.115 1.00 15.03 H new ATOM 0 HA THR A 66 -1.972 -13.226 -18.172 1.00 51.41 H new ATOM 0 HB THR A 66 0.286 -15.119 -17.794 1.00 40.32 H new ATOM 0 HG1 THR A 66 1.554 -14.000 -19.417 1.00 54.44 H new ATOM 0 HG21 THR A 66 -0.117 -15.524 -20.193 1.00 41.54 H new ATOM 0 HG22 THR A 66 -1.621 -15.624 -19.248 1.00 41.54 H new ATOM 0 HG23 THR A 66 -1.277 -14.174 -20.222 1.00 41.54 H new ATOM 1003 N ALA A 67 -2.261 -15.488 -16.732 1.00 45.42 N ATOM 1004 CA ALA A 67 -2.774 -16.404 -15.721 1.00 44.41 C ATOM 1005 C ALA A 67 -1.840 -17.595 -15.535 1.00 72.04 C ATOM 1006 O ALA A 67 -1.348 -17.845 -14.436 1.00 13.52 O ATOM 1007 CB ALA A 67 -4.169 -16.878 -16.098 1.00 53.12 C ATOM 0 H ALA A 67 -2.450 -15.772 -17.693 1.00 45.42 H new ATOM 0 HA ALA A 67 -2.829 -15.867 -14.774 1.00 44.41 H new ATOM 0 HB1 ALA A 67 -4.540 -17.561 -15.334 1.00 53.12 H new ATOM 0 HB2 ALA A 67 -4.837 -16.020 -16.172 1.00 53.12 H new ATOM 0 HB3 ALA A 67 -4.131 -17.393 -17.058 1.00 53.12 H new ATOM 1013 N ASN A 68 -1.601 -18.328 -16.618 1.00 72.01 N ATOM 1014 CA ASN A 68 -0.725 -19.493 -16.574 1.00 42.12 C ATOM 1015 C ASN A 68 -0.556 -20.099 -17.964 1.00 44.01 C ATOM 1016 O ASN A 68 -1.086 -21.167 -18.272 1.00 4.14 O ATOM 1017 CB ASN A 68 -1.285 -20.543 -15.613 1.00 12.24 C ATOM 1018 CG ASN A 68 -0.459 -21.814 -15.599 1.00 61.34 C ATOM 1019 OD1 ASN A 68 0.770 -21.769 -15.533 1.00 54.22 O ATOM 1020 ND2 ASN A 68 -1.132 -22.958 -15.663 1.00 4.42 N ATOM 0 H ASN A 68 -2.002 -18.136 -17.536 1.00 72.01 H new ATOM 0 HA ASN A 68 0.252 -19.168 -16.217 1.00 42.12 H new ATOM 0 HB2 ASN A 68 -1.323 -20.127 -14.606 1.00 12.24 H new ATOM 0 HB3 ASN A 68 -2.310 -20.782 -15.898 1.00 12.24 H new ATOM 0 HD21 ASN A 68 -0.630 -23.846 -15.659 1.00 4.42 H new ATOM 0 HD22 ASN A 68 -2.151 -22.948 -15.717 1.00 4.42 H new ATOM 1027 N PRO A 69 0.201 -19.403 -18.825 1.00 42.41 N ATOM 1028 CA PRO A 69 0.459 -19.853 -20.196 1.00 54.22 C ATOM 1029 C PRO A 69 1.362 -21.080 -20.243 1.00 72.53 C ATOM 1030 O PRO A 69 2.459 -21.078 -19.686 1.00 23.14 O ATOM 1031 CB PRO A 69 1.156 -18.651 -20.839 1.00 73.22 C ATOM 1032 CG PRO A 69 1.782 -17.923 -19.701 1.00 2.24 C ATOM 1033 CD PRO A 69 0.864 -18.122 -18.526 1.00 64.22 C ATOM 0 HA PRO A 69 -0.457 -20.155 -20.705 1.00 54.22 H new ATOM 0 HB2 PRO A 69 1.904 -18.969 -21.565 1.00 73.22 H new ATOM 0 HB3 PRO A 69 0.445 -18.019 -21.370 1.00 73.22 H new ATOM 0 HG2 PRO A 69 2.777 -18.313 -19.489 1.00 2.24 H new ATOM 0 HG3 PRO A 69 1.897 -16.864 -19.931 1.00 2.24 H new ATOM 0 HD2 PRO A 69 1.416 -18.165 -17.587 1.00 64.22 H new ATOM 0 HD3 PRO A 69 0.144 -17.308 -18.436 1.00 64.22 H new ATOM 1041 N VAL A 70 0.893 -22.129 -20.913 1.00 3.10 N ATOM 1042 CA VAL A 70 1.660 -23.363 -21.034 1.00 73.32 C ATOM 1043 C VAL A 70 1.702 -23.844 -22.480 1.00 42.14 C ATOM 1044 O VAL A 70 0.759 -23.632 -23.243 1.00 43.04 O ATOM 1045 CB VAL A 70 1.070 -24.479 -20.151 1.00 61.01 C ATOM 1046 CG1 VAL A 70 1.032 -24.043 -18.694 1.00 61.23 C ATOM 1047 CG2 VAL A 70 -0.319 -24.865 -20.637 1.00 42.32 C ATOM 0 H VAL A 70 -0.014 -22.148 -21.380 1.00 3.10 H new ATOM 0 HA VAL A 70 2.673 -23.141 -20.698 1.00 73.32 H new ATOM 0 HB VAL A 70 1.713 -25.356 -20.226 1.00 61.01 H new ATOM 0 HG11 VAL A 70 0.612 -24.844 -18.085 1.00 61.23 H new ATOM 0 HG12 VAL A 70 2.044 -23.821 -18.354 1.00 61.23 H new ATOM 0 HG13 VAL A 70 0.413 -23.151 -18.597 1.00 61.23 H new ATOM 0 HG21 VAL A 70 -0.720 -25.655 -20.002 1.00 42.32 H new ATOM 0 HG22 VAL A 70 -0.975 -23.995 -20.593 1.00 42.32 H new ATOM 0 HG23 VAL A 70 -0.259 -25.222 -21.665 1.00 42.32 H new ATOM 1057 N ILE A 71 2.801 -24.492 -22.850 1.00 65.24 N ATOM 1058 CA ILE A 71 2.966 -25.004 -24.205 1.00 44.22 C ATOM 1059 C ILE A 71 2.085 -26.225 -24.443 1.00 32.23 C ATOM 1060 O ILE A 71 2.180 -27.223 -23.727 1.00 64.14 O ATOM 1061 CB ILE A 71 4.432 -25.380 -24.491 1.00 4.45 C ATOM 1062 CG1 ILE A 71 5.347 -24.177 -24.246 1.00 73.34 C ATOM 1063 CG2 ILE A 71 4.582 -25.884 -25.918 1.00 33.30 C ATOM 1064 CD1 ILE A 71 5.030 -22.989 -25.126 1.00 54.53 C ATOM 0 H ILE A 71 3.591 -24.675 -22.231 1.00 65.24 H new ATOM 0 HA ILE A 71 2.666 -24.204 -24.882 1.00 44.22 H new ATOM 0 HB ILE A 71 4.725 -26.181 -23.812 1.00 4.45 H new ATOM 0 HG12 ILE A 71 5.267 -23.877 -23.201 1.00 73.34 H new ATOM 0 HG13 ILE A 71 6.381 -24.477 -24.413 1.00 73.34 H new ATOM 0 HG21 ILE A 71 5.624 -26.145 -26.104 1.00 33.30 H new ATOM 0 HG22 ILE A 71 3.956 -26.765 -26.061 1.00 33.30 H new ATOM 0 HG23 ILE A 71 4.274 -25.104 -26.614 1.00 33.30 H new ATOM 0 HD11 ILE A 71 5.717 -22.174 -24.898 1.00 54.53 H new ATOM 0 HD12 ILE A 71 5.138 -23.273 -26.173 1.00 54.53 H new ATOM 0 HD13 ILE A 71 4.006 -22.663 -24.942 1.00 54.53 H new ATOM 1076 N THR A 72 1.226 -26.141 -25.454 1.00 50.21 N ATOM 1077 CA THR A 72 0.328 -27.239 -25.788 1.00 61.10 C ATOM 1078 C THR A 72 0.733 -27.901 -27.100 1.00 50.34 C ATOM 1079 O THR A 72 0.642 -29.119 -27.245 1.00 71.21 O ATOM 1080 CB THR A 72 -1.131 -26.758 -25.897 1.00 72.44 C ATOM 1081 OG1 THR A 72 -1.203 -25.596 -26.730 1.00 41.31 O ATOM 1082 CG2 THR A 72 -1.700 -26.440 -24.523 1.00 55.01 C ATOM 0 H THR A 72 1.133 -25.323 -26.056 1.00 50.21 H new ATOM 0 HA THR A 72 0.403 -27.966 -24.979 1.00 61.10 H new ATOM 0 HB THR A 72 -1.722 -27.559 -26.341 1.00 72.44 H new ATOM 0 HG1 THR A 72 -2.134 -25.298 -26.795 1.00 41.31 H new ATOM 0 HG21 THR A 72 -2.731 -26.102 -24.626 1.00 55.01 H new ATOM 0 HG22 THR A 72 -1.671 -27.335 -23.901 1.00 55.01 H new ATOM 0 HG23 THR A 72 -1.106 -25.655 -24.056 1.00 55.01 H new ATOM 1090 N GLU A 73 1.181 -27.089 -28.053 1.00 72.24 N ATOM 1091 CA GLU A 73 1.599 -27.598 -29.354 1.00 50.25 C ATOM 1092 C GLU A 73 2.740 -28.600 -29.206 1.00 1.13 C ATOM 1093 O GLU A 73 3.681 -28.377 -28.445 1.00 4.53 O ATOM 1094 CB GLU A 73 2.033 -26.445 -30.262 1.00 2.20 C ATOM 1095 CG GLU A 73 0.879 -25.581 -30.742 1.00 45.34 C ATOM 1096 CD GLU A 73 -0.229 -26.392 -31.384 1.00 35.13 C ATOM 1097 OE1 GLU A 73 0.070 -27.468 -31.942 1.00 65.22 O ATOM 1098 OE2 GLU A 73 -1.396 -25.951 -31.327 1.00 74.54 O ATOM 0 H GLU A 73 1.264 -26.078 -27.949 1.00 72.24 H new ATOM 0 HA GLU A 73 0.748 -28.107 -29.806 1.00 50.25 H new ATOM 0 HB2 GLU A 73 2.746 -25.819 -29.725 1.00 2.20 H new ATOM 0 HB3 GLU A 73 2.556 -26.852 -31.128 1.00 2.20 H new ATOM 0 HG2 GLU A 73 0.473 -25.022 -29.899 1.00 45.34 H new ATOM 0 HG3 GLU A 73 1.251 -24.850 -31.459 1.00 45.34 H new ATOM 1105 N SER A 74 2.648 -29.705 -29.938 1.00 22.50 N ATOM 1106 CA SER A 74 3.671 -30.744 -29.886 1.00 53.22 C ATOM 1107 C SER A 74 4.865 -30.374 -30.760 1.00 42.03 C ATOM 1108 O SER A 74 6.015 -30.642 -30.408 1.00 54.22 O ATOM 1109 CB SER A 74 3.089 -32.085 -30.338 1.00 42.34 C ATOM 1110 OG SER A 74 4.066 -33.110 -30.279 1.00 35.12 O ATOM 0 H SER A 74 1.876 -29.905 -30.574 1.00 22.50 H new ATOM 0 HA SER A 74 4.012 -30.833 -28.855 1.00 53.22 H new ATOM 0 HB2 SER A 74 2.241 -32.349 -29.705 1.00 42.34 H new ATOM 0 HB3 SER A 74 2.711 -31.996 -31.357 1.00 42.34 H new ATOM 0 HG SER A 74 3.669 -33.957 -30.571 1.00 35.12 H new ATOM 1116 N THR A 75 4.585 -29.756 -31.904 1.00 2.04 N ATOM 1117 CA THR A 75 5.635 -29.351 -32.830 1.00 55.33 C ATOM 1118 C THR A 75 6.684 -28.493 -32.132 1.00 15.10 C ATOM 1119 O THR A 75 6.356 -27.666 -31.282 1.00 53.42 O ATOM 1120 CB THR A 75 5.058 -28.566 -34.024 1.00 32.03 C ATOM 1121 OG1 THR A 75 6.120 -27.984 -34.787 1.00 4.12 O ATOM 1122 CG2 THR A 75 4.112 -27.474 -33.547 1.00 73.32 C ATOM 0 H THR A 75 3.640 -29.525 -32.211 1.00 2.04 H new ATOM 0 HA THR A 75 6.103 -30.265 -33.196 1.00 55.33 H new ATOM 0 HB THR A 75 4.499 -29.261 -34.651 1.00 32.03 H new ATOM 0 HG1 THR A 75 5.745 -27.488 -35.545 1.00 4.12 H new ATOM 0 HG21 THR A 75 3.717 -26.933 -34.407 1.00 73.32 H new ATOM 0 HG22 THR A 75 3.289 -27.923 -32.991 1.00 73.32 H new ATOM 0 HG23 THR A 75 4.652 -26.782 -32.900 1.00 73.32 H new ATOM 1130 N GLU A 76 7.946 -28.696 -32.497 1.00 13.22 N ATOM 1131 CA GLU A 76 9.042 -27.940 -31.904 1.00 5.24 C ATOM 1132 C GLU A 76 9.019 -26.488 -32.372 1.00 55.24 C ATOM 1133 O GLU A 76 8.264 -26.129 -33.275 1.00 43.53 O ATOM 1134 CB GLU A 76 10.385 -28.581 -32.261 1.00 41.44 C ATOM 1135 CG GLU A 76 10.846 -29.628 -31.261 1.00 54.51 C ATOM 1136 CD GLU A 76 11.756 -30.668 -31.883 1.00 61.34 C ATOM 1137 OE1 GLU A 76 11.281 -31.794 -32.140 1.00 34.54 O ATOM 1138 OE2 GLU A 76 12.943 -30.357 -32.114 1.00 22.31 O ATOM 0 H GLU A 76 8.234 -29.377 -33.200 1.00 13.22 H new ATOM 0 HA GLU A 76 8.916 -27.956 -30.821 1.00 5.24 H new ATOM 0 HB2 GLU A 76 10.308 -29.041 -33.246 1.00 41.44 H new ATOM 0 HB3 GLU A 76 11.143 -27.801 -32.332 1.00 41.44 H new ATOM 0 HG2 GLU A 76 11.370 -29.136 -30.441 1.00 54.51 H new ATOM 0 HG3 GLU A 76 9.975 -30.123 -30.831 1.00 54.51 H new ATOM 1145 N ASN A 77 9.850 -25.658 -31.751 1.00 12.33 N ATOM 1146 CA ASN A 77 9.923 -24.244 -32.102 1.00 64.34 C ATOM 1147 C ASN A 77 8.584 -23.554 -31.863 1.00 42.30 C ATOM 1148 O ASN A 77 8.115 -22.781 -32.698 1.00 53.31 O ATOM 1149 CB ASN A 77 10.339 -24.082 -33.566 1.00 71.51 C ATOM 1150 CG ASN A 77 11.346 -25.130 -34.000 1.00 43.42 C ATOM 1151 OD1 ASN A 77 11.208 -25.737 -35.062 1.00 44.01 O ATOM 1152 ND2 ASN A 77 12.366 -25.346 -33.178 1.00 5.30 N ATOM 0 H ASN A 77 10.483 -25.940 -31.002 1.00 12.33 H new ATOM 0 HA ASN A 77 10.672 -23.775 -31.464 1.00 64.34 H new ATOM 0 HB2 ASN A 77 9.456 -24.146 -34.201 1.00 71.51 H new ATOM 0 HB3 ASN A 77 10.766 -23.090 -33.712 1.00 71.51 H new ATOM 0 HD21 ASN A 77 13.076 -26.039 -33.417 1.00 5.30 H new ATOM 0 HD22 ASN A 77 12.440 -24.819 -32.308 1.00 5.30 H new ATOM 1159 N SER A 78 7.975 -23.838 -30.717 1.00 14.15 N ATOM 1160 CA SER A 78 6.688 -23.248 -30.368 1.00 55.43 C ATOM 1161 C SER A 78 6.878 -21.920 -29.640 1.00 72.42 C ATOM 1162 O SER A 78 7.836 -21.743 -28.888 1.00 43.21 O ATOM 1163 CB SER A 78 5.881 -24.210 -29.495 1.00 74.31 C ATOM 1164 OG SER A 78 6.683 -24.757 -28.463 1.00 12.34 O ATOM 0 H SER A 78 8.352 -24.473 -30.014 1.00 14.15 H new ATOM 0 HA SER A 78 6.140 -23.061 -31.292 1.00 55.43 H new ATOM 0 HB2 SER A 78 5.031 -23.685 -29.060 1.00 74.31 H new ATOM 0 HB3 SER A 78 5.478 -25.014 -30.111 1.00 74.31 H new ATOM 0 HG SER A 78 6.267 -25.578 -28.126 1.00 12.34 H new ATOM 1170 N LYS A 79 5.957 -20.990 -29.869 1.00 62.02 N ATOM 1171 CA LYS A 79 6.020 -19.678 -29.235 1.00 61.52 C ATOM 1172 C LYS A 79 4.749 -19.397 -28.441 1.00 12.31 C ATOM 1173 O LYS A 79 3.743 -20.089 -28.596 1.00 11.41 O ATOM 1174 CB LYS A 79 6.227 -18.589 -30.290 1.00 3.13 C ATOM 1175 CG LYS A 79 7.377 -18.874 -31.241 1.00 10.43 C ATOM 1176 CD LYS A 79 6.917 -19.671 -32.449 1.00 74.51 C ATOM 1177 CE LYS A 79 7.927 -19.597 -33.584 1.00 14.11 C ATOM 1178 NZ LYS A 79 7.537 -20.463 -34.731 1.00 22.32 N ATOM 0 H LYS A 79 5.158 -21.120 -30.489 1.00 62.02 H new ATOM 0 HA LYS A 79 6.865 -19.674 -28.547 1.00 61.52 H new ATOM 0 HB2 LYS A 79 5.309 -18.475 -30.867 1.00 3.13 H new ATOM 0 HB3 LYS A 79 6.409 -17.639 -29.788 1.00 3.13 H new ATOM 0 HG2 LYS A 79 7.819 -17.934 -31.571 1.00 10.43 H new ATOM 0 HG3 LYS A 79 8.157 -19.425 -30.716 1.00 10.43 H new ATOM 0 HD2 LYS A 79 6.765 -20.712 -32.163 1.00 74.51 H new ATOM 0 HD3 LYS A 79 5.955 -19.291 -32.792 1.00 74.51 H new ATOM 0 HE2 LYS A 79 8.018 -18.565 -33.923 1.00 14.11 H new ATOM 0 HE3 LYS A 79 8.908 -19.900 -33.218 1.00 14.11 H new ATOM 0 HZ1 LYS A 79 8.184 -20.296 -35.528 1.00 22.32 H new ATOM 0 HZ2 LYS A 79 7.590 -21.462 -34.446 1.00 22.32 H new ATOM 0 HZ3 LYS A 79 6.564 -20.237 -35.021 1.00 22.32 H new ATOM 1192 N MET A 80 4.801 -18.376 -27.591 1.00 42.15 N ATOM 1193 CA MET A 80 3.652 -18.001 -26.775 1.00 60.45 C ATOM 1194 C MET A 80 3.788 -16.569 -26.269 1.00 44.02 C ATOM 1195 O MET A 80 4.720 -16.248 -25.532 1.00 41.42 O ATOM 1196 CB MET A 80 3.505 -18.961 -25.593 1.00 12.21 C ATOM 1197 CG MET A 80 2.106 -18.983 -24.999 1.00 32.01 C ATOM 1198 SD MET A 80 1.810 -20.436 -23.973 1.00 11.11 S ATOM 1199 CE MET A 80 0.127 -20.840 -24.436 1.00 24.24 C ATOM 0 H MET A 80 5.627 -17.794 -27.450 1.00 42.15 H new ATOM 0 HA MET A 80 2.760 -18.063 -27.398 1.00 60.45 H new ATOM 0 HB2 MET A 80 3.769 -19.967 -25.918 1.00 12.21 H new ATOM 0 HB3 MET A 80 4.216 -18.680 -24.816 1.00 12.21 H new ATOM 0 HG2 MET A 80 1.955 -18.084 -24.401 1.00 32.01 H new ATOM 0 HG3 MET A 80 1.373 -18.957 -25.805 1.00 32.01 H new ATOM 0 HE1 MET A 80 -0.368 -21.344 -23.606 1.00 24.24 H new ATOM 0 HE2 MET A 80 -0.413 -19.925 -24.679 1.00 24.24 H new ATOM 0 HE3 MET A 80 0.137 -21.498 -25.305 1.00 24.24 H new ATOM 1209 N MET A 81 2.854 -15.713 -26.670 1.00 2.11 N ATOM 1210 CA MET A 81 2.871 -14.315 -26.256 1.00 44.31 C ATOM 1211 C MET A 81 2.460 -14.175 -24.794 1.00 23.32 C ATOM 1212 O MET A 81 1.611 -14.921 -24.303 1.00 44.13 O ATOM 1213 CB MET A 81 1.938 -13.487 -27.142 1.00 33.15 C ATOM 1214 CG MET A 81 2.285 -12.008 -27.175 1.00 40.40 C ATOM 1215 SD MET A 81 3.533 -11.615 -28.416 1.00 31.00 S ATOM 1216 CE MET A 81 2.498 -11.135 -29.797 1.00 11.34 C ATOM 0 H MET A 81 2.076 -15.963 -27.281 1.00 2.11 H new ATOM 0 HA MET A 81 3.890 -13.943 -26.365 1.00 44.31 H new ATOM 0 HB2 MET A 81 1.970 -13.882 -28.157 1.00 33.15 H new ATOM 0 HB3 MET A 81 0.914 -13.604 -26.786 1.00 33.15 H new ATOM 0 HG2 MET A 81 1.382 -11.431 -27.378 1.00 40.40 H new ATOM 0 HG3 MET A 81 2.645 -11.701 -26.193 1.00 40.40 H new ATOM 0 HE1 MET A 81 3.126 -10.862 -30.645 1.00 11.34 H new ATOM 0 HE2 MET A 81 1.854 -11.969 -30.076 1.00 11.34 H new ATOM 0 HE3 MET A 81 1.883 -10.281 -29.512 1.00 11.34 H new ATOM 1226 N LEU A 82 3.067 -13.217 -24.102 1.00 62.21 N ATOM 1227 CA LEU A 82 2.765 -12.981 -22.695 1.00 20.14 C ATOM 1228 C LEU A 82 2.637 -11.488 -22.408 1.00 70.41 C ATOM 1229 O LEU A 82 2.995 -10.655 -23.239 1.00 41.23 O ATOM 1230 CB LEU A 82 3.854 -13.590 -21.810 1.00 31.33 C ATOM 1231 CG LEU A 82 4.416 -14.936 -22.268 1.00 63.31 C ATOM 1232 CD1 LEU A 82 5.600 -15.343 -21.403 1.00 55.25 C ATOM 1233 CD2 LEU A 82 3.335 -16.006 -22.232 1.00 72.23 C ATOM 0 H LEU A 82 3.771 -12.591 -24.493 1.00 62.21 H new ATOM 0 HA LEU A 82 1.812 -13.459 -22.469 1.00 20.14 H new ATOM 0 HB2 LEU A 82 4.678 -12.879 -21.741 1.00 31.33 H new ATOM 0 HB3 LEU A 82 3.452 -13.710 -20.804 1.00 31.33 H new ATOM 0 HG LEU A 82 4.762 -14.832 -23.296 1.00 63.31 H new ATOM 0 HD11 LEU A 82 5.987 -16.303 -21.744 1.00 55.25 H new ATOM 0 HD12 LEU A 82 6.383 -14.589 -21.480 1.00 55.25 H new ATOM 0 HD13 LEU A 82 5.280 -15.429 -20.365 1.00 55.25 H new ATOM 0 HD21 LEU A 82 3.753 -16.957 -22.561 1.00 72.23 H new ATOM 0 HD22 LEU A 82 2.958 -16.108 -21.214 1.00 72.23 H new ATOM 0 HD23 LEU A 82 2.518 -15.720 -22.895 1.00 72.23 H new ATOM 1245 N GLU A 83 2.126 -11.160 -21.226 1.00 10.42 N ATOM 1246 CA GLU A 83 1.952 -9.767 -20.830 1.00 5.10 C ATOM 1247 C GLU A 83 2.732 -9.463 -19.554 1.00 3.20 C ATOM 1248 O GLU A 83 2.661 -10.209 -18.576 1.00 53.43 O ATOM 1249 CB GLU A 83 0.469 -9.454 -20.621 1.00 44.22 C ATOM 1250 CG GLU A 83 -0.276 -9.150 -21.910 1.00 42.10 C ATOM 1251 CD GLU A 83 -1.707 -8.711 -21.667 1.00 3.21 C ATOM 1252 OE1 GLU A 83 -2.629 -9.404 -22.147 1.00 3.44 O ATOM 1253 OE2 GLU A 83 -1.905 -7.675 -20.998 1.00 23.31 O ATOM 0 H GLU A 83 1.825 -11.839 -20.526 1.00 10.42 H new ATOM 0 HA GLU A 83 2.339 -9.137 -21.631 1.00 5.10 H new ATOM 0 HB2 GLU A 83 -0.007 -10.302 -20.128 1.00 44.22 H new ATOM 0 HB3 GLU A 83 0.378 -8.601 -19.948 1.00 44.22 H new ATOM 0 HG2 GLU A 83 0.253 -8.368 -22.455 1.00 42.10 H new ATOM 0 HG3 GLU A 83 -0.275 -10.037 -22.544 1.00 42.10 H new ATOM 1260 N LEU A 84 3.477 -8.363 -19.571 1.00 41.00 N ATOM 1261 CA LEU A 84 4.271 -7.959 -18.416 1.00 11.52 C ATOM 1262 C LEU A 84 4.137 -6.461 -18.161 1.00 2.43 C ATOM 1263 O LEU A 84 4.080 -5.664 -19.098 1.00 11.14 O ATOM 1264 CB LEU A 84 5.741 -8.322 -18.630 1.00 43.33 C ATOM 1265 CG LEU A 84 6.121 -9.777 -18.352 1.00 52.41 C ATOM 1266 CD1 LEU A 84 5.896 -10.633 -19.589 1.00 14.33 C ATOM 1267 CD2 LEU A 84 7.568 -9.872 -17.892 1.00 1.43 C ATOM 0 H LEU A 84 3.548 -7.735 -20.372 1.00 41.00 H new ATOM 0 HA LEU A 84 3.895 -8.493 -17.543 1.00 11.52 H new ATOM 0 HB2 LEU A 84 6.005 -8.089 -19.662 1.00 43.33 H new ATOM 0 HB3 LEU A 84 6.349 -7.680 -17.992 1.00 43.33 H new ATOM 0 HG LEU A 84 5.481 -10.153 -17.553 1.00 52.41 H new ATOM 0 HD11 LEU A 84 6.172 -11.665 -19.372 1.00 14.33 H new ATOM 0 HD12 LEU A 84 4.845 -10.591 -19.875 1.00 14.33 H new ATOM 0 HD13 LEU A 84 6.510 -10.258 -20.408 1.00 14.33 H new ATOM 0 HD21 LEU A 84 7.821 -10.915 -17.699 1.00 1.43 H new ATOM 0 HD22 LEU A 84 8.223 -9.478 -18.669 1.00 1.43 H new ATOM 0 HD23 LEU A 84 7.698 -9.292 -16.978 1.00 1.43 H new ATOM 1279 N ASP A 85 4.090 -6.085 -16.888 1.00 2.45 N ATOM 1280 CA ASP A 85 3.965 -4.682 -16.509 1.00 1.13 C ATOM 1281 C ASP A 85 4.899 -4.347 -15.350 1.00 12.32 C ATOM 1282 O ASP A 85 4.467 -4.097 -14.224 1.00 75.43 O ATOM 1283 CB ASP A 85 2.520 -4.362 -16.124 1.00 73.41 C ATOM 1284 CG ASP A 85 2.161 -2.911 -16.375 1.00 41.13 C ATOM 1285 OD1 ASP A 85 3.023 -2.167 -16.888 1.00 42.40 O ATOM 1286 OD2 ASP A 85 1.018 -2.519 -16.060 1.00 22.40 O ATOM 0 H ASP A 85 4.137 -6.732 -16.101 1.00 2.45 H new ATOM 0 HA ASP A 85 4.247 -4.073 -17.368 1.00 1.13 H new ATOM 0 HB2 ASP A 85 1.846 -5.003 -16.691 1.00 73.41 H new ATOM 0 HB3 ASP A 85 2.368 -4.593 -15.070 1.00 73.41 H new ATOM 1291 N PRO A 86 6.211 -4.341 -15.629 1.00 73.10 N ATOM 1292 CA PRO A 86 7.233 -4.038 -14.623 1.00 31.31 C ATOM 1293 C PRO A 86 7.216 -2.573 -14.203 1.00 4.53 C ATOM 1294 O PRO A 86 6.578 -1.729 -14.832 1.00 43.52 O ATOM 1295 CB PRO A 86 8.544 -4.375 -15.337 1.00 63.01 C ATOM 1296 CG PRO A 86 8.236 -4.224 -16.787 1.00 10.53 C ATOM 1297 CD PRO A 86 6.797 -4.630 -16.949 1.00 2.54 C ATOM 0 HA PRO A 86 7.077 -4.599 -13.702 1.00 31.31 H new ATOM 0 HB2 PRO A 86 9.346 -3.703 -15.031 1.00 63.01 H new ATOM 0 HB3 PRO A 86 8.872 -5.388 -15.105 1.00 63.01 H new ATOM 0 HG2 PRO A 86 8.391 -3.196 -17.114 1.00 10.53 H new ATOM 0 HG3 PRO A 86 8.889 -4.852 -17.392 1.00 10.53 H new ATOM 0 HD2 PRO A 86 6.306 -4.063 -17.740 1.00 2.54 H new ATOM 0 HD3 PRO A 86 6.704 -5.685 -17.208 1.00 2.54 H new ATOM 1305 N PRO A 87 7.934 -2.260 -13.114 1.00 23.24 N ATOM 1306 CA PRO A 87 8.020 -0.895 -12.587 1.00 13.05 C ATOM 1307 C PRO A 87 8.819 0.030 -13.499 1.00 33.44 C ATOM 1308 O PRO A 87 9.184 -0.345 -14.613 1.00 60.10 O ATOM 1309 CB PRO A 87 8.738 -1.076 -11.247 1.00 30.20 C ATOM 1310 CG PRO A 87 9.527 -2.329 -11.407 1.00 65.40 C ATOM 1311 CD PRO A 87 8.718 -3.216 -12.313 1.00 44.42 C ATOM 0 HA PRO A 87 7.038 -0.429 -12.501 1.00 13.05 H new ATOM 0 HB2 PRO A 87 9.384 -0.227 -11.026 1.00 30.20 H new ATOM 0 HB3 PRO A 87 8.027 -1.158 -10.425 1.00 30.20 H new ATOM 0 HG2 PRO A 87 10.506 -2.121 -11.838 1.00 65.40 H new ATOM 0 HG3 PRO A 87 9.698 -2.808 -10.443 1.00 65.40 H new ATOM 0 HD2 PRO A 87 9.356 -3.838 -12.941 1.00 44.42 H new ATOM 0 HD3 PRO A 87 8.074 -3.889 -11.747 1.00 44.42 H new ATOM 1319 N PHE A 88 9.087 1.239 -13.018 1.00 44.34 N ATOM 1320 CA PHE A 88 9.844 2.218 -13.791 1.00 73.21 C ATOM 1321 C PHE A 88 11.320 1.838 -13.853 1.00 3.31 C ATOM 1322 O PHE A 88 11.739 0.835 -13.278 1.00 22.50 O ATOM 1323 CB PHE A 88 9.689 3.612 -13.179 1.00 70.24 C ATOM 1324 CG PHE A 88 10.258 3.725 -11.794 1.00 51.00 C ATOM 1325 CD1 PHE A 88 9.460 3.504 -10.683 1.00 1.40 C ATOM 1326 CD2 PHE A 88 11.591 4.053 -11.603 1.00 34.22 C ATOM 1327 CE1 PHE A 88 9.981 3.607 -9.407 1.00 14.44 C ATOM 1328 CE2 PHE A 88 12.117 4.157 -10.329 1.00 73.20 C ATOM 1329 CZ PHE A 88 11.311 3.935 -9.230 1.00 15.14 C ATOM 0 H PHE A 88 8.792 1.565 -12.098 1.00 44.34 H new ATOM 0 HA PHE A 88 9.447 2.228 -14.806 1.00 73.21 H new ATOM 0 HB2 PHE A 88 10.179 4.340 -13.825 1.00 70.24 H new ATOM 0 HB3 PHE A 88 8.631 3.872 -13.151 1.00 70.24 H new ATOM 0 HD1 PHE A 88 8.419 3.248 -10.816 1.00 1.40 H new ATOM 0 HD2 PHE A 88 12.226 4.229 -12.459 1.00 34.22 H new ATOM 0 HE1 PHE A 88 9.349 3.431 -8.549 1.00 14.44 H new ATOM 0 HE2 PHE A 88 13.158 4.412 -10.193 1.00 73.20 H new ATOM 0 HZ PHE A 88 11.720 4.018 -8.234 1.00 15.14 H new ATOM 1339 N GLY A 89 12.105 2.649 -14.556 1.00 51.42 N ATOM 1340 CA GLY A 89 13.526 2.382 -14.682 1.00 73.11 C ATOM 1341 C GLY A 89 13.824 1.303 -15.704 1.00 21.53 C ATOM 1342 O GLY A 89 13.093 1.145 -16.682 1.00 21.34 O ATOM 0 H GLY A 89 11.782 3.486 -15.041 1.00 51.42 H new ATOM 0 HA2 GLY A 89 14.041 3.300 -14.966 1.00 73.11 H new ATOM 0 HA3 GLY A 89 13.923 2.080 -13.713 1.00 73.11 H new ATOM 1346 N ASP A 90 14.901 0.559 -15.478 1.00 65.34 N ATOM 1347 CA ASP A 90 15.295 -0.512 -16.387 1.00 43.31 C ATOM 1348 C ASP A 90 15.277 -1.862 -15.677 1.00 11.31 C ATOM 1349 O ASP A 90 15.095 -1.932 -14.462 1.00 21.55 O ATOM 1350 CB ASP A 90 16.689 -0.240 -16.956 1.00 53.21 C ATOM 1351 CG ASP A 90 17.638 0.324 -15.917 1.00 64.44 C ATOM 1352 OD1 ASP A 90 17.917 -0.380 -14.924 1.00 62.40 O ATOM 1353 OD2 ASP A 90 18.104 1.468 -16.098 1.00 54.12 O ATOM 0 H ASP A 90 15.517 0.677 -14.674 1.00 65.34 H new ATOM 0 HA ASP A 90 14.576 -0.543 -17.206 1.00 43.31 H new ATOM 0 HB2 ASP A 90 17.102 -1.166 -17.356 1.00 53.21 H new ATOM 0 HB3 ASP A 90 16.609 0.459 -17.788 1.00 53.21 H new ATOM 1358 N SER A 91 15.465 -2.931 -16.444 1.00 2.20 N ATOM 1359 CA SER A 91 15.465 -4.279 -15.889 1.00 73.31 C ATOM 1360 C SER A 91 15.981 -5.287 -16.911 1.00 64.41 C ATOM 1361 O SER A 91 16.051 -4.997 -18.106 1.00 33.33 O ATOM 1362 CB SER A 91 14.055 -4.668 -15.440 1.00 71.31 C ATOM 1363 OG SER A 91 13.218 -4.928 -16.554 1.00 42.50 O ATOM 0 H SER A 91 15.619 -2.890 -17.451 1.00 2.20 H new ATOM 0 HA SER A 91 16.130 -4.290 -15.026 1.00 73.31 H new ATOM 0 HB2 SER A 91 14.104 -5.552 -14.804 1.00 71.31 H new ATOM 0 HB3 SER A 91 13.627 -3.866 -14.839 1.00 71.31 H new ATOM 0 HG SER A 91 12.325 -4.561 -16.385 1.00 42.50 H new ATOM 1369 N TYR A 92 16.343 -6.473 -16.433 1.00 1.44 N ATOM 1370 CA TYR A 92 16.856 -7.524 -17.303 1.00 2.01 C ATOM 1371 C TYR A 92 15.834 -8.645 -17.464 1.00 21.23 C ATOM 1372 O TYR A 92 15.581 -9.408 -16.531 1.00 2.14 O ATOM 1373 CB TYR A 92 18.163 -8.087 -16.742 1.00 2.21 C ATOM 1374 CG TYR A 92 19.362 -7.202 -16.996 1.00 42.53 C ATOM 1375 CD1 TYR A 92 19.854 -6.362 -16.004 1.00 35.11 C ATOM 1376 CD2 TYR A 92 20.003 -7.204 -18.229 1.00 2.41 C ATOM 1377 CE1 TYR A 92 20.948 -5.551 -16.232 1.00 4.01 C ATOM 1378 CE2 TYR A 92 21.099 -6.397 -18.465 1.00 65.03 C ATOM 1379 CZ TYR A 92 21.568 -5.572 -17.464 1.00 21.41 C ATOM 1380 OH TYR A 92 22.659 -4.766 -17.696 1.00 20.31 O ATOM 0 H TYR A 92 16.290 -6.730 -15.447 1.00 1.44 H new ATOM 0 HA TYR A 92 17.047 -7.088 -18.283 1.00 2.01 H new ATOM 0 HB2 TYR A 92 18.053 -8.236 -15.668 1.00 2.21 H new ATOM 0 HB3 TYR A 92 18.345 -9.067 -17.183 1.00 2.21 H new ATOM 0 HD1 TYR A 92 19.372 -6.343 -15.038 1.00 35.11 H new ATOM 0 HD2 TYR A 92 19.638 -7.847 -19.016 1.00 2.41 H new ATOM 0 HE1 TYR A 92 21.316 -4.904 -15.450 1.00 4.01 H new ATOM 0 HE2 TYR A 92 21.586 -6.412 -19.429 1.00 65.03 H new ATOM 0 HH TYR A 92 22.977 -4.902 -18.613 1.00 20.31 H new ATOM 1390 N ILE A 93 15.250 -8.738 -18.654 1.00 25.53 N ATOM 1391 CA ILE A 93 14.257 -9.767 -18.938 1.00 43.33 C ATOM 1392 C ILE A 93 14.907 -11.142 -19.051 1.00 54.12 C ATOM 1393 O ILE A 93 15.785 -11.359 -19.886 1.00 1.02 O ATOM 1394 CB ILE A 93 13.491 -9.465 -20.240 1.00 4.41 C ATOM 1395 CG1 ILE A 93 12.856 -8.075 -20.172 1.00 53.53 C ATOM 1396 CG2 ILE A 93 12.431 -10.527 -20.489 1.00 12.50 C ATOM 1397 CD1 ILE A 93 12.327 -7.586 -21.503 1.00 64.40 C ATOM 0 H ILE A 93 15.447 -8.114 -19.436 1.00 25.53 H new ATOM 0 HA ILE A 93 13.555 -9.767 -18.104 1.00 43.33 H new ATOM 0 HB ILE A 93 14.195 -9.482 -21.072 1.00 4.41 H new ATOM 0 HG12 ILE A 93 12.040 -8.092 -19.450 1.00 53.53 H new ATOM 0 HG13 ILE A 93 13.595 -7.365 -19.801 1.00 53.53 H new ATOM 0 HG21 ILE A 93 11.898 -10.300 -21.412 1.00 12.50 H new ATOM 0 HG22 ILE A 93 12.908 -11.503 -20.576 1.00 12.50 H new ATOM 0 HG23 ILE A 93 11.726 -10.540 -19.657 1.00 12.50 H new ATOM 0 HD11 ILE A 93 11.891 -6.595 -21.379 1.00 64.40 H new ATOM 0 HD12 ILE A 93 13.144 -7.536 -22.223 1.00 64.40 H new ATOM 0 HD13 ILE A 93 11.565 -8.275 -21.867 1.00 64.40 H new ATOM 1409 N VAL A 94 14.467 -12.069 -18.206 1.00 73.14 N ATOM 1410 CA VAL A 94 15.001 -13.425 -18.214 1.00 24.52 C ATOM 1411 C VAL A 94 13.885 -14.455 -18.349 1.00 25.40 C ATOM 1412 O VAL A 94 12.820 -14.313 -17.748 1.00 61.40 O ATOM 1413 CB VAL A 94 15.804 -13.719 -16.932 1.00 71.44 C ATOM 1414 CG1 VAL A 94 16.341 -15.143 -16.953 1.00 14.51 C ATOM 1415 CG2 VAL A 94 16.936 -12.716 -16.771 1.00 71.13 C ATOM 0 H VAL A 94 13.742 -11.905 -17.507 1.00 73.14 H new ATOM 0 HA VAL A 94 15.665 -13.499 -19.075 1.00 24.52 H new ATOM 0 HB VAL A 94 15.137 -13.620 -16.075 1.00 71.44 H new ATOM 0 HG11 VAL A 94 16.905 -15.333 -16.040 1.00 14.51 H new ATOM 0 HG12 VAL A 94 15.509 -15.845 -17.018 1.00 14.51 H new ATOM 0 HG13 VAL A 94 16.994 -15.273 -17.816 1.00 14.51 H new ATOM 0 HG21 VAL A 94 17.493 -12.939 -15.861 1.00 71.13 H new ATOM 0 HG22 VAL A 94 17.604 -12.781 -17.630 1.00 71.13 H new ATOM 0 HG23 VAL A 94 16.524 -11.709 -16.707 1.00 71.13 H new ATOM 1425 N ILE A 95 14.137 -15.492 -19.141 1.00 44.11 N ATOM 1426 CA ILE A 95 13.154 -16.546 -19.355 1.00 31.33 C ATOM 1427 C ILE A 95 13.631 -17.870 -18.768 1.00 21.33 C ATOM 1428 O ILE A 95 14.544 -18.503 -19.297 1.00 11.02 O ATOM 1429 CB ILE A 95 12.853 -16.741 -20.853 1.00 10.54 C ATOM 1430 CG1 ILE A 95 12.339 -15.436 -21.465 1.00 73.21 C ATOM 1431 CG2 ILE A 95 11.841 -17.859 -21.049 1.00 30.42 C ATOM 1432 CD1 ILE A 95 11.083 -14.912 -20.805 1.00 33.45 C ATOM 0 H ILE A 95 15.014 -15.624 -19.645 1.00 44.11 H new ATOM 0 HA ILE A 95 12.242 -16.233 -18.847 1.00 31.33 H new ATOM 0 HB ILE A 95 13.776 -17.021 -21.361 1.00 10.54 H new ATOM 0 HG12 ILE A 95 13.120 -14.679 -21.394 1.00 73.21 H new ATOM 0 HG13 ILE A 95 12.143 -15.594 -22.526 1.00 73.21 H new ATOM 0 HG21 ILE A 95 11.639 -17.984 -22.113 1.00 30.42 H new ATOM 0 HG22 ILE A 95 12.242 -18.788 -20.644 1.00 30.42 H new ATOM 0 HG23 ILE A 95 10.916 -17.607 -20.531 1.00 30.42 H new ATOM 0 HD11 ILE A 95 10.777 -13.985 -21.290 1.00 33.45 H new ATOM 0 HD12 ILE A 95 10.287 -15.651 -20.899 1.00 33.45 H new ATOM 0 HD13 ILE A 95 11.279 -14.722 -19.750 1.00 33.45 H new ATOM 1444 N GLY A 96 13.005 -18.285 -17.670 1.00 42.12 N ATOM 1445 CA GLY A 96 13.379 -19.532 -17.030 1.00 34.43 C ATOM 1446 C GLY A 96 14.828 -19.546 -16.588 1.00 5.02 C ATOM 1447 O GLY A 96 15.480 -18.502 -16.538 1.00 33.45 O ATOM 0 H GLY A 96 12.246 -17.780 -17.213 1.00 42.12 H new ATOM 0 HA2 GLY A 96 12.737 -19.699 -16.165 1.00 34.43 H new ATOM 0 HA3 GLY A 96 13.205 -20.357 -17.720 1.00 34.43 H new ATOM 1451 N VAL A 97 15.336 -20.731 -16.265 1.00 20.35 N ATOM 1452 CA VAL A 97 16.718 -20.877 -15.824 1.00 44.33 C ATOM 1453 C VAL A 97 17.441 -21.952 -16.629 1.00 0.55 C ATOM 1454 O VAL A 97 16.815 -22.856 -17.179 1.00 32.11 O ATOM 1455 CB VAL A 97 16.796 -21.232 -14.328 1.00 4.55 C ATOM 1456 CG1 VAL A 97 16.145 -20.145 -13.486 1.00 52.43 C ATOM 1457 CG2 VAL A 97 16.146 -22.582 -14.066 1.00 0.41 C ATOM 0 H VAL A 97 14.811 -21.605 -16.301 1.00 20.35 H new ATOM 0 HA VAL A 97 17.205 -19.916 -15.987 1.00 44.33 H new ATOM 0 HB VAL A 97 17.846 -21.299 -14.043 1.00 4.55 H new ATOM 0 HG11 VAL A 97 16.210 -20.414 -12.432 1.00 52.43 H new ATOM 0 HG12 VAL A 97 16.660 -19.199 -13.652 1.00 52.43 H new ATOM 0 HG13 VAL A 97 15.098 -20.043 -13.770 1.00 52.43 H new ATOM 0 HG21 VAL A 97 16.210 -22.817 -13.004 1.00 0.41 H new ATOM 0 HG22 VAL A 97 15.099 -22.546 -14.367 1.00 0.41 H new ATOM 0 HG23 VAL A 97 16.662 -23.352 -14.640 1.00 0.41 H new ATOM 1467 N GLY A 98 18.765 -21.846 -16.692 1.00 0.12 N ATOM 1468 CA GLY A 98 19.552 -22.816 -17.430 1.00 21.41 C ATOM 1469 C GLY A 98 21.004 -22.404 -17.564 1.00 5.52 C ATOM 1470 O GLY A 98 21.454 -21.469 -16.902 1.00 14.33 O ATOM 0 H GLY A 98 19.306 -21.106 -16.245 1.00 0.12 H new ATOM 0 HA2 GLY A 98 19.497 -23.782 -16.928 1.00 21.41 H new ATOM 0 HA3 GLY A 98 19.122 -22.948 -18.423 1.00 21.41 H new ATOM 1474 N GLU A 99 21.740 -23.103 -18.422 1.00 25.44 N ATOM 1475 CA GLU A 99 23.151 -22.805 -18.638 1.00 2.51 C ATOM 1476 C GLU A 99 23.321 -21.716 -19.694 1.00 61.42 C ATOM 1477 O GLU A 99 24.250 -20.910 -19.628 1.00 75.44 O ATOM 1478 CB GLU A 99 23.903 -24.067 -19.065 1.00 2.13 C ATOM 1479 CG GLU A 99 23.553 -24.540 -20.465 1.00 55.14 C ATOM 1480 CD GLU A 99 23.932 -25.988 -20.704 1.00 64.41 C ATOM 1481 OE1 GLU A 99 24.812 -26.238 -21.555 1.00 5.25 O ATOM 1482 OE2 GLU A 99 23.350 -26.872 -20.041 1.00 62.14 O ATOM 0 H GLU A 99 21.383 -23.879 -18.979 1.00 25.44 H new ATOM 0 HA GLU A 99 23.568 -22.444 -17.698 1.00 2.51 H new ATOM 0 HB2 GLU A 99 24.975 -23.876 -19.013 1.00 2.13 H new ATOM 0 HB3 GLU A 99 23.686 -24.866 -18.356 1.00 2.13 H new ATOM 0 HG2 GLU A 99 22.482 -24.417 -20.629 1.00 55.14 H new ATOM 0 HG3 GLU A 99 24.062 -23.910 -21.195 1.00 55.14 H new ATOM 1489 N LYS A 100 22.418 -21.700 -20.669 1.00 10.14 N ATOM 1490 CA LYS A 100 22.465 -20.711 -21.739 1.00 73.11 C ATOM 1491 C LYS A 100 21.312 -19.720 -21.615 1.00 75.44 C ATOM 1492 O LYS A 100 20.748 -19.280 -22.617 1.00 53.43 O ATOM 1493 CB LYS A 100 22.412 -21.403 -23.103 1.00 65.11 C ATOM 1494 CG LYS A 100 23.561 -22.369 -23.340 1.00 12.34 C ATOM 1495 CD LYS A 100 23.979 -22.390 -24.800 1.00 64.31 C ATOM 1496 CE LYS A 100 25.037 -23.452 -25.061 1.00 43.41 C ATOM 1497 NZ LYS A 100 26.414 -22.927 -24.845 1.00 22.11 N ATOM 0 H LYS A 100 21.645 -22.361 -20.740 1.00 10.14 H new ATOM 0 HA LYS A 100 23.403 -20.163 -21.652 1.00 73.11 H new ATOM 0 HB2 LYS A 100 21.470 -21.944 -23.190 1.00 65.11 H new ATOM 0 HB3 LYS A 100 22.418 -20.645 -23.886 1.00 65.11 H new ATOM 0 HG2 LYS A 100 24.412 -22.083 -22.721 1.00 12.34 H new ATOM 0 HG3 LYS A 100 23.265 -23.371 -23.031 1.00 12.34 H new ATOM 0 HD2 LYS A 100 23.108 -22.581 -25.426 1.00 64.31 H new ATOM 0 HD3 LYS A 100 24.367 -21.411 -25.083 1.00 64.31 H new ATOM 0 HE2 LYS A 100 24.866 -24.304 -24.404 1.00 43.41 H new ATOM 0 HE3 LYS A 100 24.943 -23.815 -26.085 1.00 43.41 H new ATOM 0 HZ1 LYS A 100 27.106 -23.680 -25.033 1.00 22.11 H new ATOM 0 HZ2 LYS A 100 26.587 -22.130 -25.490 1.00 22.11 H new ATOM 0 HZ3 LYS A 100 26.512 -22.604 -23.861 1.00 22.11 H new ATOM 1511 N LYS A 101 20.966 -19.373 -20.380 1.00 42.34 N ATOM 1512 CA LYS A 101 19.882 -18.431 -20.125 1.00 24.32 C ATOM 1513 C LYS A 101 19.981 -17.224 -21.052 1.00 15.02 C ATOM 1514 O LYS A 101 21.077 -16.783 -21.398 1.00 10.14 O ATOM 1515 CB LYS A 101 19.913 -17.971 -18.666 1.00 34.14 C ATOM 1516 CG LYS A 101 19.415 -19.020 -17.687 1.00 33.15 C ATOM 1517 CD LYS A 101 19.336 -18.470 -16.272 1.00 63.22 C ATOM 1518 CE LYS A 101 20.669 -17.889 -15.826 1.00 0.15 C ATOM 1519 NZ LYS A 101 21.791 -18.845 -16.039 1.00 54.12 N ATOM 0 H LYS A 101 21.421 -19.730 -19.540 1.00 42.34 H new ATOM 0 HA LYS A 101 18.938 -18.940 -20.320 1.00 24.32 H new ATOM 0 HB2 LYS A 101 20.934 -17.696 -18.402 1.00 34.14 H new ATOM 0 HB3 LYS A 101 19.304 -17.073 -18.564 1.00 34.14 H new ATOM 0 HG2 LYS A 101 18.431 -19.371 -17.998 1.00 33.15 H new ATOM 0 HG3 LYS A 101 20.081 -19.882 -17.706 1.00 33.15 H new ATOM 0 HD2 LYS A 101 18.567 -17.699 -16.222 1.00 63.22 H new ATOM 0 HD3 LYS A 101 19.036 -19.264 -15.588 1.00 63.22 H new ATOM 0 HE2 LYS A 101 20.866 -16.969 -16.377 1.00 0.15 H new ATOM 0 HE3 LYS A 101 20.614 -17.623 -14.770 1.00 0.15 H new ATOM 0 HZ1 LYS A 101 22.453 -18.788 -15.239 1.00 54.12 H new ATOM 0 HZ2 LYS A 101 21.415 -19.812 -16.109 1.00 54.12 H new ATOM 0 HZ3 LYS A 101 22.290 -18.604 -16.919 1.00 54.12 H new ATOM 1533 N ILE A 102 18.829 -16.694 -21.449 1.00 52.31 N ATOM 1534 CA ILE A 102 18.786 -15.536 -22.334 1.00 62.42 C ATOM 1535 C ILE A 102 18.550 -14.251 -21.548 1.00 24.42 C ATOM 1536 O ILE A 102 17.956 -14.270 -20.469 1.00 41.23 O ATOM 1537 CB ILE A 102 17.684 -15.683 -23.400 1.00 12.34 C ATOM 1538 CG1 ILE A 102 16.302 -15.643 -22.744 1.00 11.12 C ATOM 1539 CG2 ILE A 102 17.869 -16.976 -24.179 1.00 50.13 C ATOM 1540 CD1 ILE A 102 15.161 -15.770 -23.729 1.00 45.34 C ATOM 0 H ILE A 102 17.913 -17.048 -21.172 1.00 52.31 H new ATOM 0 HA ILE A 102 19.755 -15.482 -22.830 1.00 62.42 H new ATOM 0 HB ILE A 102 17.760 -14.848 -24.097 1.00 12.34 H new ATOM 0 HG12 ILE A 102 16.232 -16.449 -22.014 1.00 11.12 H new ATOM 0 HG13 ILE A 102 16.196 -14.707 -22.196 1.00 11.12 H new ATOM 0 HG21 ILE A 102 17.082 -17.065 -24.928 1.00 50.13 H new ATOM 0 HG22 ILE A 102 18.841 -16.968 -24.672 1.00 50.13 H new ATOM 0 HG23 ILE A 102 17.816 -17.823 -23.495 1.00 50.13 H new ATOM 0 HD11 ILE A 102 14.212 -15.734 -23.194 1.00 45.34 H new ATOM 0 HD12 ILE A 102 15.205 -14.949 -24.445 1.00 45.34 H new ATOM 0 HD13 ILE A 102 15.242 -16.719 -24.259 1.00 45.34 H new ATOM 1552 N THR A 103 19.019 -13.134 -22.096 1.00 34.23 N ATOM 1553 CA THR A 103 18.859 -11.839 -21.446 1.00 71.25 C ATOM 1554 C THR A 103 18.577 -10.743 -22.468 1.00 31.23 C ATOM 1555 O THR A 103 18.992 -10.836 -23.623 1.00 52.15 O ATOM 1556 CB THR A 103 20.112 -11.459 -20.635 1.00 71.21 C ATOM 1557 OG1 THR A 103 21.293 -11.793 -21.373 1.00 30.03 O ATOM 1558 CG2 THR A 103 20.126 -12.176 -19.294 1.00 20.44 C ATOM 0 H THR A 103 19.513 -13.100 -22.988 1.00 34.23 H new ATOM 0 HA THR A 103 18.010 -11.928 -20.768 1.00 71.25 H new ATOM 0 HB THR A 103 20.089 -10.384 -20.454 1.00 71.21 H new ATOM 0 HG1 THR A 103 22.085 -11.547 -20.851 1.00 30.03 H new ATOM 0 HG21 THR A 103 21.020 -11.892 -18.739 1.00 20.44 H new ATOM 0 HG22 THR A 103 19.240 -11.897 -18.723 1.00 20.44 H new ATOM 0 HG23 THR A 103 20.127 -13.254 -19.458 1.00 20.44 H new ATOM 1566 N HIS A 104 17.869 -9.705 -22.034 1.00 45.42 N ATOM 1567 CA HIS A 104 17.533 -8.589 -22.912 1.00 21.03 C ATOM 1568 C HIS A 104 17.418 -7.290 -22.119 1.00 73.34 C ATOM 1569 O HIS A 104 16.753 -7.240 -21.084 1.00 4.23 O ATOM 1570 CB HIS A 104 16.223 -8.869 -23.648 1.00 53.00 C ATOM 1571 CG HIS A 104 15.952 -7.916 -24.772 1.00 33.54 C ATOM 1572 ND1 HIS A 104 16.532 -8.036 -26.017 1.00 24.35 N ATOM 1573 CD2 HIS A 104 15.155 -6.824 -24.833 1.00 71.04 C ATOM 1574 CE1 HIS A 104 16.106 -7.058 -26.795 1.00 11.11 C ATOM 1575 NE2 HIS A 104 15.269 -6.308 -26.101 1.00 75.30 N ATOM 0 H HIS A 104 17.517 -9.613 -21.081 1.00 45.42 H new ATOM 0 HA HIS A 104 18.335 -8.478 -23.642 1.00 21.03 H new ATOM 0 HB2 HIS A 104 16.247 -9.885 -24.042 1.00 53.00 H new ATOM 0 HB3 HIS A 104 15.399 -8.822 -22.936 1.00 53.00 H new ATOM 0 HD1 HIS A 104 17.188 -8.766 -26.294 1.00 24.35 H new ATOM 0 HD2 HIS A 104 14.544 -6.431 -24.034 1.00 71.04 H new ATOM 0 HE1 HIS A 104 16.393 -6.898 -27.824 1.00 11.11 H new ATOM 1583 N HIS A 105 18.069 -6.242 -22.613 1.00 4.15 N ATOM 1584 CA HIS A 105 18.038 -4.942 -21.951 1.00 60.15 C ATOM 1585 C HIS A 105 16.693 -4.255 -22.167 1.00 71.14 C ATOM 1586 O HIS A 105 16.156 -4.255 -23.275 1.00 43.23 O ATOM 1587 CB HIS A 105 19.167 -4.053 -22.474 1.00 23.45 C ATOM 1588 CG HIS A 105 19.424 -2.848 -21.622 1.00 34.21 C ATOM 1589 ND1 HIS A 105 18.831 -1.625 -21.852 1.00 11.43 N ATOM 1590 CD2 HIS A 105 20.213 -2.684 -20.535 1.00 31.13 C ATOM 1591 CE1 HIS A 105 19.246 -0.759 -20.944 1.00 30.43 C ATOM 1592 NE2 HIS A 105 20.085 -1.377 -20.132 1.00 62.43 N ATOM 0 H HIS A 105 18.624 -6.267 -23.468 1.00 4.15 H new ATOM 0 HA HIS A 105 18.177 -5.103 -20.882 1.00 60.15 H new ATOM 0 HB2 HIS A 105 20.081 -4.643 -22.541 1.00 23.45 H new ATOM 0 HB3 HIS A 105 18.923 -3.728 -23.485 1.00 23.45 H new ATOM 0 HD2 HIS A 105 20.829 -3.440 -20.071 1.00 31.13 H new ATOM 0 HE1 HIS A 105 18.950 0.277 -20.877 1.00 30.43 H new ATOM 0 HE2 HIS A 105 20.560 -0.953 -19.335 1.00 62.43 H new ATOM 1600 N TRP A 106 16.154 -3.672 -21.103 1.00 23.45 N ATOM 1601 CA TRP A 106 14.870 -2.985 -21.175 1.00 73.43 C ATOM 1602 C TRP A 106 14.932 -1.638 -20.464 1.00 71.13 C ATOM 1603 O TRP A 106 15.389 -1.547 -19.324 1.00 72.23 O ATOM 1604 CB TRP A 106 13.770 -3.851 -20.559 1.00 14.02 C ATOM 1605 CG TRP A 106 12.450 -3.148 -20.453 1.00 21.12 C ATOM 1606 CD1 TRP A 106 11.663 -3.046 -19.342 1.00 33.44 C ATOM 1607 CD2 TRP A 106 11.764 -2.451 -21.498 1.00 70.14 C ATOM 1608 NE1 TRP A 106 10.528 -2.328 -19.633 1.00 62.15 N ATOM 1609 CE2 TRP A 106 10.567 -1.951 -20.950 1.00 11.23 C ATOM 1610 CE3 TRP A 106 12.045 -2.199 -22.844 1.00 21.02 C ATOM 1611 CZ2 TRP A 106 9.654 -1.216 -21.701 1.00 41.43 C ATOM 1612 CZ3 TRP A 106 11.138 -1.469 -23.588 1.00 60.54 C ATOM 1613 CH2 TRP A 106 9.955 -0.984 -23.016 1.00 52.11 C ATOM 0 H TRP A 106 16.586 -3.661 -20.179 1.00 23.45 H new ATOM 0 HA TRP A 106 14.639 -2.809 -22.226 1.00 73.43 H new ATOM 0 HB2 TRP A 106 13.647 -4.752 -21.161 1.00 14.02 H new ATOM 0 HB3 TRP A 106 14.084 -4.172 -19.566 1.00 14.02 H new ATOM 0 HD1 TRP A 106 11.898 -3.468 -18.376 1.00 33.44 H new ATOM 0 HE1 TRP A 106 9.779 -2.111 -18.976 1.00 62.15 H new ATOM 0 HE3 TRP A 106 12.955 -2.568 -23.294 1.00 21.02 H new ATOM 0 HZ2 TRP A 106 8.741 -0.842 -21.262 1.00 41.43 H new ATOM 0 HZ3 TRP A 106 11.345 -1.269 -24.629 1.00 60.54 H new ATOM 0 HH2 TRP A 106 9.267 -0.416 -23.624 1.00 52.11 H new ATOM 1624 N HIS A 107 14.470 -0.593 -21.144 1.00 32.22 N ATOM 1625 CA HIS A 107 14.474 0.750 -20.576 1.00 42.42 C ATOM 1626 C HIS A 107 13.079 1.366 -20.628 1.00 3.43 C ATOM 1627 O HIS A 107 12.312 1.111 -21.556 1.00 15.34 O ATOM 1628 CB HIS A 107 15.466 1.641 -21.326 1.00 75.53 C ATOM 1629 CG HIS A 107 15.060 1.931 -22.739 1.00 21.24 C ATOM 1630 ND1 HIS A 107 15.205 1.021 -23.765 1.00 55.51 N ATOM 1631 CD2 HIS A 107 14.510 3.037 -23.292 1.00 62.23 C ATOM 1632 CE1 HIS A 107 14.763 1.556 -24.889 1.00 53.24 C ATOM 1633 NE2 HIS A 107 14.335 2.779 -24.630 1.00 25.33 N ATOM 0 H HIS A 107 14.089 -0.651 -22.088 1.00 32.22 H new ATOM 0 HA HIS A 107 14.781 0.676 -19.533 1.00 42.42 H new ATOM 0 HB2 HIS A 107 15.576 2.582 -20.787 1.00 75.53 H new ATOM 0 HB3 HIS A 107 16.444 1.160 -21.329 1.00 75.53 H new ATOM 0 HD2 HIS A 107 14.256 3.952 -22.777 1.00 62.23 H new ATOM 0 HE1 HIS A 107 14.753 1.075 -25.856 1.00 53.24 H new ATOM 0 HE2 HIS A 107 13.939 3.426 -25.312 1.00 25.33 H new ATOM 1641 N ARG A 108 12.758 2.177 -19.625 1.00 5.41 N ATOM 1642 CA ARG A 108 11.456 2.829 -19.556 1.00 31.53 C ATOM 1643 C ARG A 108 11.597 4.343 -19.683 1.00 24.52 C ATOM 1644 O ARG A 108 12.274 4.983 -18.878 1.00 32.53 O ATOM 1645 CB ARG A 108 10.757 2.480 -18.240 1.00 73.45 C ATOM 1646 CG ARG A 108 10.364 1.016 -18.130 1.00 35.45 C ATOM 1647 CD ARG A 108 8.968 0.770 -18.682 1.00 43.12 C ATOM 1648 NE ARG A 108 7.949 1.514 -17.946 1.00 64.32 N ATOM 1649 CZ ARG A 108 6.671 1.559 -18.303 1.00 73.54 C ATOM 1650 NH1 ARG A 108 6.257 0.906 -19.380 1.00 74.44 N ATOM 1651 NH2 ARG A 108 5.803 2.257 -17.582 1.00 43.22 N ATOM 0 H ARG A 108 13.382 2.398 -18.849 1.00 5.41 H new ATOM 0 HA ARG A 108 10.852 2.467 -20.388 1.00 31.53 H new ATOM 0 HB2 ARG A 108 11.416 2.734 -17.410 1.00 73.45 H new ATOM 0 HB3 ARG A 108 9.864 3.096 -18.138 1.00 73.45 H new ATOM 0 HG2 ARG A 108 11.084 0.403 -18.673 1.00 35.45 H new ATOM 0 HG3 ARG A 108 10.403 0.705 -17.086 1.00 35.45 H new ATOM 0 HD2 ARG A 108 8.938 1.057 -19.733 1.00 43.12 H new ATOM 0 HD3 ARG A 108 8.743 -0.295 -18.636 1.00 43.12 H new ATOM 0 HE ARG A 108 8.235 2.027 -17.112 1.00 64.32 H new ATOM 0 HH11 ARG A 108 6.921 0.367 -19.936 1.00 74.44 H new ATOM 0 HH12 ARG A 108 5.275 0.942 -19.652 1.00 74.44 H new ATOM 0 HH21 ARG A 108 6.117 2.760 -16.752 1.00 43.22 H new ATOM 0 HH22 ARG A 108 4.822 2.291 -17.858 1.00 43.22 H new