USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=18 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 Set 1.1: A 105 HIS : no HD1:sc= -0.736 X(o=-0.77,f=-1.1) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -0.036 X(o=-0.77,f=-0.75) USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -108:sc= 0.421 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 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 38 TYR OH : rot -157:sc= 0.00647 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.029) USER MOD Single : A 51 MET CE :methyl -177:sc= -1.65! (180deg=-1.71!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0622 USER MOD Single : A 68 ASN : amide:sc= -0.465 K(o=-0.47,f=-1.7) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.001 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00922 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 77 ASN : amide:sc= -0.557 K(o=-0.56,f=-0.011) USER MOD Single : A 78 SER OG : rot -16:sc= 0.0682 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 27:sc= 0.0916 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+ -149:sc= -0.288 (180deg=-1.27) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 14.740 -24.085 -21.962 1.00 70.12 N ATOM 257 CA ALA A 17 15.364 -23.176 -22.916 1.00 22.15 C ATOM 258 C ALA A 17 14.588 -21.867 -23.015 1.00 70.33 C ATOM 259 O ALA A 17 13.381 -21.830 -22.774 1.00 3.43 O ATOM 260 CB ALA A 17 15.469 -23.836 -24.283 1.00 13.52 C ATOM 0 HA ALA A 17 16.368 -22.946 -22.559 1.00 22.15 H new ATOM 0 HB1 ALA A 17 15.937 -23.146 -24.985 1.00 13.52 H new ATOM 0 HB2 ALA A 17 16.073 -24.740 -24.205 1.00 13.52 H new ATOM 0 HB3 ALA A 17 14.472 -24.096 -24.639 1.00 13.52 H new ATOM 266 N PHE A 18 15.288 -20.795 -23.372 1.00 31.41 N ATOM 267 CA PHE A 18 14.664 -19.484 -23.502 1.00 2.31 C ATOM 268 C PHE A 18 15.141 -18.778 -24.768 1.00 11.10 C ATOM 269 O PHE A 18 16.299 -18.906 -25.166 1.00 43.30 O ATOM 270 CB PHE A 18 14.977 -18.623 -22.276 1.00 61.01 C ATOM 271 CG PHE A 18 14.384 -19.155 -21.003 1.00 20.11 C ATOM 272 CD1 PHE A 18 15.174 -19.823 -20.081 1.00 70.23 C ATOM 273 CD2 PHE A 18 13.036 -18.988 -20.728 1.00 4.41 C ATOM 274 CE1 PHE A 18 14.631 -20.314 -18.908 1.00 45.34 C ATOM 275 CE2 PHE A 18 12.488 -19.475 -19.557 1.00 24.53 C ATOM 276 CZ PHE A 18 13.287 -20.140 -18.646 1.00 74.54 C ATOM 0 H PHE A 18 16.287 -20.809 -23.576 1.00 31.41 H new ATOM 0 HA PHE A 18 13.586 -19.628 -23.571 1.00 2.31 H new ATOM 0 HB2 PHE A 18 16.058 -18.549 -22.161 1.00 61.01 H new ATOM 0 HB3 PHE A 18 14.605 -17.613 -22.447 1.00 61.01 H new ATOM 0 HD1 PHE A 18 16.226 -19.962 -20.281 1.00 70.23 H new ATOM 0 HD2 PHE A 18 12.407 -18.471 -21.437 1.00 4.41 H new ATOM 0 HE1 PHE A 18 15.258 -20.833 -18.198 1.00 45.34 H new ATOM 0 HE2 PHE A 18 11.436 -19.336 -19.354 1.00 24.53 H new ATOM 0 HZ PHE A 18 12.860 -20.523 -17.731 1.00 74.54 H new ATOM 286 N THR A 19 14.238 -18.032 -25.398 1.00 64.22 N ATOM 287 CA THR A 19 14.565 -17.305 -26.618 1.00 62.23 C ATOM 288 C THR A 19 13.513 -16.246 -26.926 1.00 0.13 C ATOM 289 O THR A 19 12.316 -16.533 -26.946 1.00 70.11 O ATOM 290 CB THR A 19 14.687 -18.257 -27.824 1.00 12.34 C ATOM 291 OG1 THR A 19 13.892 -19.428 -27.605 1.00 41.35 O ATOM 292 CG2 THR A 19 16.136 -18.657 -28.053 1.00 44.10 C ATOM 0 H THR A 19 13.275 -17.916 -25.083 1.00 64.22 H new ATOM 0 HA THR A 19 15.526 -16.820 -26.448 1.00 62.23 H new ATOM 0 HB THR A 19 14.327 -17.734 -28.710 1.00 12.34 H new ATOM 0 HG1 THR A 19 13.973 -20.027 -28.376 1.00 41.35 H new ATOM 0 HG21 THR A 19 16.197 -19.329 -28.909 1.00 44.10 H new ATOM 0 HG22 THR A 19 16.733 -17.766 -28.248 1.00 44.10 H new ATOM 0 HG23 THR A 19 16.518 -19.163 -27.167 1.00 44.10 H new ATOM 300 N PHE A 20 13.967 -15.020 -27.165 1.00 73.02 N ATOM 301 CA PHE A 20 13.063 -13.917 -27.471 1.00 45.22 C ATOM 302 C PHE A 20 12.365 -14.141 -28.809 1.00 42.24 C ATOM 303 O PHE A 20 12.992 -14.540 -29.791 1.00 70.34 O ATOM 304 CB PHE A 20 13.831 -12.594 -27.499 1.00 44.31 C ATOM 305 CG PHE A 20 14.249 -12.114 -26.138 1.00 64.53 C ATOM 306 CD1 PHE A 20 13.308 -11.906 -25.143 1.00 41.13 C ATOM 307 CD2 PHE A 20 15.584 -11.872 -25.854 1.00 72.05 C ATOM 308 CE1 PHE A 20 13.689 -11.465 -23.890 1.00 24.31 C ATOM 309 CE2 PHE A 20 15.971 -11.432 -24.603 1.00 1.21 C ATOM 310 CZ PHE A 20 15.023 -11.227 -23.620 1.00 13.01 C ATOM 0 H PHE A 20 14.955 -14.765 -27.153 1.00 73.02 H new ATOM 0 HA PHE A 20 12.305 -13.873 -26.689 1.00 45.22 H new ATOM 0 HB2 PHE A 20 14.718 -12.711 -28.122 1.00 44.31 H new ATOM 0 HB3 PHE A 20 13.209 -11.832 -27.969 1.00 44.31 H new ATOM 0 HD1 PHE A 20 12.264 -12.091 -25.349 1.00 41.13 H new ATOM 0 HD2 PHE A 20 16.330 -12.029 -26.619 1.00 72.05 H new ATOM 0 HE1 PHE A 20 12.945 -11.307 -23.123 1.00 24.31 H new ATOM 0 HE2 PHE A 20 17.015 -11.248 -24.394 1.00 1.21 H new ATOM 0 HZ PHE A 20 15.324 -10.881 -22.642 1.00 13.01 H new ATOM 320 N THR A 21 11.062 -13.881 -28.841 1.00 33.22 N ATOM 321 CA THR A 21 10.277 -14.056 -30.056 1.00 74.41 C ATOM 322 C THR A 21 9.646 -12.741 -30.498 1.00 44.40 C ATOM 323 O THR A 21 9.616 -12.423 -31.687 1.00 73.22 O ATOM 324 CB THR A 21 9.165 -15.105 -29.861 1.00 0.35 C ATOM 325 OG1 THR A 21 8.124 -14.567 -29.037 1.00 23.42 O ATOM 326 CG2 THR A 21 9.720 -16.370 -29.224 1.00 3.10 C ATOM 0 H THR A 21 10.528 -13.548 -28.038 1.00 33.22 H new ATOM 0 HA THR A 21 10.964 -14.404 -30.828 1.00 74.41 H new ATOM 0 HB THR A 21 8.759 -15.359 -30.840 1.00 0.35 H new ATOM 0 HG1 THR A 21 8.148 -14.997 -28.157 1.00 23.42 H new ATOM 0 HG21 THR A 21 8.917 -17.096 -29.096 1.00 3.10 H new ATOM 0 HG22 THR A 21 10.492 -16.793 -29.867 1.00 3.10 H new ATOM 0 HG23 THR A 21 10.150 -16.129 -28.252 1.00 3.10 H new ATOM 334 N LYS A 22 9.145 -11.977 -29.533 1.00 54.04 N ATOM 335 CA LYS A 22 8.516 -10.693 -29.822 1.00 72.51 C ATOM 336 C LYS A 22 9.338 -9.544 -29.249 1.00 1.31 C ATOM 337 O LYS A 22 9.352 -9.322 -28.038 1.00 24.34 O ATOM 338 CB LYS A 22 7.098 -10.656 -29.248 1.00 32.32 C ATOM 339 CG LYS A 22 6.166 -9.712 -29.988 1.00 62.42 C ATOM 340 CD LYS A 22 6.198 -8.315 -29.391 1.00 70.52 C ATOM 341 CE LYS A 22 5.022 -7.478 -29.870 1.00 44.34 C ATOM 342 NZ LYS A 22 4.675 -6.403 -28.900 1.00 43.31 N ATOM 0 H LYS A 22 9.162 -12.225 -28.544 1.00 54.04 H new ATOM 0 HA LYS A 22 8.466 -10.576 -30.905 1.00 72.51 H new ATOM 0 HB2 LYS A 22 6.678 -11.662 -29.274 1.00 32.32 H new ATOM 0 HB3 LYS A 22 7.147 -10.358 -28.201 1.00 32.32 H new ATOM 0 HG2 LYS A 22 6.452 -9.666 -31.039 1.00 62.42 H new ATOM 0 HG3 LYS A 22 5.148 -10.101 -29.951 1.00 62.42 H new ATOM 0 HD2 LYS A 22 6.179 -8.382 -28.303 1.00 70.52 H new ATOM 0 HD3 LYS A 22 7.132 -7.823 -29.664 1.00 70.52 H new ATOM 0 HE2 LYS A 22 5.263 -7.032 -30.835 1.00 44.34 H new ATOM 0 HE3 LYS A 22 4.156 -8.122 -30.023 1.00 44.34 H new ATOM 0 HZ1 LYS A 22 3.869 -5.855 -29.263 1.00 43.31 H new ATOM 0 HZ2 LYS A 22 4.421 -6.829 -27.986 1.00 43.31 H new ATOM 0 HZ3 LYS A 22 5.493 -5.773 -28.773 1.00 43.31 H new ATOM 356 N ILE A 23 10.020 -8.815 -30.126 1.00 54.12 N ATOM 357 CA ILE A 23 10.841 -7.686 -29.707 1.00 23.44 C ATOM 358 C ILE A 23 10.026 -6.684 -28.897 1.00 23.04 C ATOM 359 O ILE A 23 8.920 -6.297 -29.273 1.00 50.15 O ATOM 360 CB ILE A 23 11.467 -6.965 -30.915 1.00 74.22 C ATOM 361 CG1 ILE A 23 12.278 -7.949 -31.760 1.00 70.43 C ATOM 362 CG2 ILE A 23 12.342 -5.812 -30.449 1.00 4.12 C ATOM 363 CD1 ILE A 23 12.861 -7.333 -33.013 1.00 11.13 C ATOM 0 H ILE A 23 10.020 -8.986 -31.132 1.00 54.12 H new ATOM 0 HA ILE A 23 11.638 -8.091 -29.083 1.00 23.44 H new ATOM 0 HB ILE A 23 10.665 -6.560 -31.533 1.00 74.22 H new ATOM 0 HG12 ILE A 23 13.088 -8.354 -31.154 1.00 70.43 H new ATOM 0 HG13 ILE A 23 11.640 -8.787 -32.040 1.00 70.43 H new ATOM 0 HG21 ILE A 23 12.777 -5.313 -31.315 1.00 4.12 H new ATOM 0 HG22 ILE A 23 11.738 -5.101 -29.886 1.00 4.12 H new ATOM 0 HG23 ILE A 23 13.139 -6.195 -29.812 1.00 4.12 H new ATOM 0 HD11 ILE A 23 13.423 -8.088 -33.562 1.00 11.13 H new ATOM 0 HD12 ILE A 23 12.055 -6.953 -33.640 1.00 11.13 H new ATOM 0 HD13 ILE A 23 13.526 -6.513 -32.740 1.00 11.13 H new ATOM 375 N PRO A 24 10.585 -6.251 -27.757 1.00 11.04 N ATOM 376 CA PRO A 24 9.929 -5.285 -26.871 1.00 12.42 C ATOM 377 C PRO A 24 9.862 -3.890 -27.483 1.00 11.41 C ATOM 378 O PRO A 24 10.696 -3.524 -28.310 1.00 44.10 O ATOM 379 CB PRO A 24 10.821 -5.281 -25.627 1.00 42.32 C ATOM 380 CG PRO A 24 12.161 -5.707 -26.121 1.00 13.23 C ATOM 381 CD PRO A 24 11.900 -6.671 -27.245 1.00 3.10 C ATOM 0 HA PRO A 24 8.893 -5.556 -26.668 1.00 12.42 H new ATOM 0 HB2 PRO A 24 10.863 -4.291 -25.173 1.00 42.32 H new ATOM 0 HB3 PRO A 24 10.443 -5.965 -24.867 1.00 42.32 H new ATOM 0 HG2 PRO A 24 12.740 -4.851 -26.468 1.00 13.23 H new ATOM 0 HG3 PRO A 24 12.738 -6.181 -25.326 1.00 13.23 H new ATOM 0 HD2 PRO A 24 12.669 -6.609 -28.015 1.00 3.10 H new ATOM 0 HD3 PRO A 24 11.884 -7.703 -26.894 1.00 3.10 H new ATOM 389 N ALA A 25 8.864 -3.115 -27.070 1.00 40.35 N ATOM 390 CA ALA A 25 8.690 -1.759 -27.577 1.00 3.14 C ATOM 391 C ALA A 25 7.588 -1.027 -26.819 1.00 32.12 C ATOM 392 O ALA A 25 6.483 -1.545 -26.659 1.00 62.22 O ATOM 393 CB ALA A 25 8.380 -1.787 -29.066 1.00 23.30 C ATOM 0 H ALA A 25 8.164 -3.403 -26.386 1.00 40.35 H new ATOM 0 HA ALA A 25 9.623 -1.218 -27.422 1.00 3.14 H new ATOM 0 HB1 ALA A 25 8.253 -0.768 -29.430 1.00 23.30 H new ATOM 0 HB2 ALA A 25 9.202 -2.263 -29.600 1.00 23.30 H new ATOM 0 HB3 ALA A 25 7.462 -2.350 -29.236 1.00 23.30 H new ATOM 399 N GLU A 26 7.896 0.179 -26.353 1.00 43.45 N ATOM 400 CA GLU A 26 6.930 0.981 -25.611 1.00 44.14 C ATOM 401 C GLU A 26 5.796 1.446 -26.520 1.00 61.44 C ATOM 402 O GLU A 26 5.995 1.674 -27.714 1.00 72.22 O ATOM 403 CB GLU A 26 7.619 2.192 -24.977 1.00 71.44 C ATOM 404 CG GLU A 26 6.957 2.665 -23.694 1.00 43.21 C ATOM 405 CD GLU A 26 7.323 4.094 -23.342 1.00 52.23 C ATOM 406 OE1 GLU A 26 8.195 4.285 -22.469 1.00 32.12 O ATOM 407 OE2 GLU A 26 6.737 5.021 -23.940 1.00 1.24 O ATOM 0 H GLU A 26 8.806 0.622 -26.476 1.00 43.45 H new ATOM 0 HA GLU A 26 6.508 0.358 -24.823 1.00 44.14 H new ATOM 0 HB2 GLU A 26 8.659 1.940 -24.768 1.00 71.44 H new ATOM 0 HB3 GLU A 26 7.628 3.012 -25.695 1.00 71.44 H new ATOM 0 HG2 GLU A 26 5.875 2.586 -23.797 1.00 43.21 H new ATOM 0 HG3 GLU A 26 7.248 2.007 -22.875 1.00 43.21 H new ATOM 414 N THR A 27 4.605 1.583 -25.947 1.00 14.31 N ATOM 415 CA THR A 27 3.438 2.019 -26.704 1.00 32.41 C ATOM 416 C THR A 27 2.885 3.330 -26.157 1.00 22.32 C ATOM 417 O THR A 27 3.484 3.949 -25.276 1.00 63.53 O ATOM 418 CB THR A 27 2.324 0.955 -26.680 1.00 13.23 C ATOM 419 OG1 THR A 27 1.710 0.918 -25.386 1.00 65.52 O ATOM 420 CG2 THR A 27 2.879 -0.419 -27.023 1.00 43.33 C ATOM 0 H THR A 27 4.423 1.398 -24.961 1.00 14.31 H new ATOM 0 HA THR A 27 3.766 2.168 -27.733 1.00 32.41 H new ATOM 0 HB THR A 27 1.579 1.225 -27.428 1.00 13.23 H new ATOM 0 HG1 THR A 27 1.002 0.241 -25.379 1.00 65.52 H new ATOM 0 HG21 THR A 27 2.074 -1.153 -26.999 1.00 43.33 H new ATOM 0 HG22 THR A 27 3.319 -0.395 -28.020 1.00 43.33 H new ATOM 0 HG23 THR A 27 3.643 -0.695 -26.296 1.00 43.33 H new ATOM 428 N LEU A 28 1.739 3.748 -26.683 1.00 4.44 N ATOM 429 CA LEU A 28 1.104 4.987 -26.245 1.00 63.23 C ATOM 430 C LEU A 28 0.912 4.995 -24.732 1.00 54.22 C ATOM 431 O LEU A 28 1.005 6.041 -24.090 1.00 5.54 O ATOM 432 CB LEU A 28 -0.245 5.165 -26.944 1.00 1.43 C ATOM 433 CG LEU A 28 -1.179 6.215 -26.340 1.00 73.34 C ATOM 434 CD1 LEU A 28 -0.578 7.605 -26.474 1.00 4.04 C ATOM 435 CD2 LEU A 28 -2.546 6.157 -27.006 1.00 55.22 C ATOM 0 H LEU A 28 1.231 3.248 -27.413 1.00 4.44 H new ATOM 0 HA LEU A 28 1.758 5.817 -26.513 1.00 63.23 H new ATOM 0 HB2 LEU A 28 -0.060 5.428 -27.986 1.00 1.43 H new ATOM 0 HB3 LEU A 28 -0.761 4.205 -26.944 1.00 1.43 H new ATOM 0 HG LEU A 28 -1.303 5.996 -25.279 1.00 73.34 H new ATOM 0 HD11 LEU A 28 -1.257 8.338 -26.039 1.00 4.04 H new ATOM 0 HD12 LEU A 28 0.378 7.640 -25.951 1.00 4.04 H new ATOM 0 HD13 LEU A 28 -0.424 7.835 -27.528 1.00 4.04 H new ATOM 0 HD21 LEU A 28 -3.198 6.911 -26.564 1.00 55.22 H new ATOM 0 HD22 LEU A 28 -2.439 6.350 -28.073 1.00 55.22 H new ATOM 0 HD23 LEU A 28 -2.981 5.169 -26.858 1.00 55.22 H new ATOM 447 N HIS A 29 0.644 3.822 -24.168 1.00 74.44 N ATOM 448 CA HIS A 29 0.441 3.693 -22.730 1.00 13.23 C ATOM 449 C HIS A 29 1.749 3.912 -21.975 1.00 55.10 C ATOM 450 O HIS A 29 1.749 4.369 -20.833 1.00 34.44 O ATOM 451 CB HIS A 29 -0.130 2.315 -22.395 1.00 33.11 C ATOM 452 CG HIS A 29 -0.976 2.301 -21.159 1.00 11.21 C ATOM 453 ND1 HIS A 29 -2.299 2.690 -21.148 1.00 0.21 N ATOM 454 CD2 HIS A 29 -0.681 1.941 -19.888 1.00 60.51 C ATOM 455 CE1 HIS A 29 -2.780 2.571 -19.923 1.00 54.25 C ATOM 456 NE2 HIS A 29 -1.819 2.118 -19.140 1.00 23.41 N ATOM 0 H HIS A 29 0.562 2.947 -24.685 1.00 74.44 H new ATOM 0 HA HIS A 29 -0.271 4.458 -22.419 1.00 13.23 H new ATOM 0 HB2 HIS A 29 -0.726 1.963 -23.237 1.00 33.11 H new ATOM 0 HB3 HIS A 29 0.692 1.611 -22.270 1.00 33.11 H new ATOM 0 HD2 HIS A 29 0.272 1.581 -19.529 1.00 60.51 H new ATOM 0 HE1 HIS A 29 -3.788 2.805 -19.615 1.00 54.25 H new ATOM 0 HE2 HIS A 29 -1.907 1.930 -18.141 1.00 23.41 H new ATOM 464 N GLY A 30 2.862 3.582 -22.622 1.00 43.11 N ATOM 465 CA GLY A 30 4.161 3.747 -21.996 1.00 11.43 C ATOM 466 C GLY A 30 4.609 2.504 -21.253 1.00 13.20 C ATOM 467 O GLY A 30 5.285 2.593 -20.228 1.00 5.51 O ATOM 0 H GLY A 30 2.888 3.203 -23.569 1.00 43.11 H new ATOM 0 HA2 GLY A 30 4.899 3.997 -22.758 1.00 11.43 H new ATOM 0 HA3 GLY A 30 4.123 4.587 -21.302 1.00 11.43 H new ATOM 471 N THR A 31 4.230 1.339 -21.769 1.00 55.33 N ATOM 472 CA THR A 31 4.593 0.073 -21.147 1.00 23.32 C ATOM 473 C THR A 31 5.209 -0.882 -22.163 1.00 23.43 C ATOM 474 O THR A 31 4.818 -0.900 -23.330 1.00 21.12 O ATOM 475 CB THR A 31 3.372 -0.605 -20.497 1.00 2.12 C ATOM 476 OG1 THR A 31 2.363 -0.846 -21.483 1.00 71.14 O ATOM 477 CG2 THR A 31 2.803 0.260 -19.382 1.00 72.04 C ATOM 0 H THR A 31 3.671 1.247 -22.617 1.00 55.33 H new ATOM 0 HA THR A 31 5.327 0.300 -20.374 1.00 23.32 H new ATOM 0 HB THR A 31 3.695 -1.554 -20.070 1.00 2.12 H new ATOM 0 HG1 THR A 31 1.591 -1.279 -21.062 1.00 71.14 H new ATOM 0 HG21 THR A 31 1.942 -0.239 -18.938 1.00 72.04 H new ATOM 0 HG22 THR A 31 3.565 0.417 -18.619 1.00 72.04 H new ATOM 0 HG23 THR A 31 2.494 1.223 -19.790 1.00 72.04 H new ATOM 485 N VAL A 32 6.175 -1.677 -21.712 1.00 10.35 N ATOM 486 CA VAL A 32 6.844 -2.637 -22.581 1.00 50.33 C ATOM 487 C VAL A 32 6.534 -4.069 -22.160 1.00 52.24 C ATOM 488 O VAL A 32 6.500 -4.385 -20.971 1.00 30.24 O ATOM 489 CB VAL A 32 8.370 -2.431 -22.575 1.00 44.34 C ATOM 490 CG1 VAL A 32 8.955 -2.807 -21.223 1.00 30.14 C ATOM 491 CG2 VAL A 32 9.021 -3.237 -23.689 1.00 73.15 C ATOM 0 H VAL A 32 6.511 -1.675 -20.749 1.00 10.35 H new ATOM 0 HA VAL A 32 6.466 -2.468 -23.589 1.00 50.33 H new ATOM 0 HB VAL A 32 8.577 -1.376 -22.752 1.00 44.34 H new ATOM 0 HG11 VAL A 32 10.034 -2.655 -21.238 1.00 30.14 H new ATOM 0 HG12 VAL A 32 8.511 -2.182 -20.448 1.00 30.14 H new ATOM 0 HG13 VAL A 32 8.739 -3.854 -21.012 1.00 30.14 H new ATOM 0 HG21 VAL A 32 10.099 -3.079 -23.670 1.00 73.15 H new ATOM 0 HG22 VAL A 32 8.806 -4.296 -23.545 1.00 73.15 H new ATOM 0 HG23 VAL A 32 8.624 -2.914 -24.651 1.00 73.15 H new ATOM 501 N THR A 33 6.308 -4.933 -23.145 1.00 31.53 N ATOM 502 CA THR A 33 6.000 -6.333 -22.877 1.00 53.42 C ATOM 503 C THR A 33 7.105 -7.247 -23.392 1.00 24.24 C ATOM 504 O THR A 33 7.728 -6.969 -24.416 1.00 64.24 O ATOM 505 CB THR A 33 4.664 -6.747 -23.523 1.00 62.11 C ATOM 506 OG1 THR A 33 4.824 -6.872 -24.941 1.00 34.33 O ATOM 507 CG2 THR A 33 3.576 -5.728 -23.218 1.00 64.41 C ATOM 0 H THR A 33 6.332 -4.688 -24.135 1.00 31.53 H new ATOM 0 HA THR A 33 5.920 -6.438 -21.795 1.00 53.42 H new ATOM 0 HB THR A 33 4.366 -7.708 -23.105 1.00 62.11 H new ATOM 0 HG1 THR A 33 3.971 -7.137 -25.344 1.00 34.33 H new ATOM 0 HG21 THR A 33 2.642 -6.042 -23.685 1.00 64.41 H new ATOM 0 HG22 THR A 33 3.437 -5.656 -22.139 1.00 64.41 H new ATOM 0 HG23 THR A 33 3.869 -4.754 -23.611 1.00 64.41 H new ATOM 515 N VAL A 34 7.344 -8.341 -22.674 1.00 43.43 N ATOM 516 CA VAL A 34 8.373 -9.298 -23.060 1.00 64.54 C ATOM 517 C VAL A 34 7.824 -10.720 -23.073 1.00 32.43 C ATOM 518 O VAL A 34 7.284 -11.196 -22.074 1.00 43.12 O ATOM 519 CB VAL A 34 9.584 -9.236 -22.110 1.00 14.23 C ATOM 520 CG1 VAL A 34 9.146 -9.469 -20.672 1.00 11.03 C ATOM 521 CG2 VAL A 34 10.640 -10.249 -22.525 1.00 51.41 C ATOM 0 H VAL A 34 6.839 -8.586 -21.822 1.00 43.43 H new ATOM 0 HA VAL A 34 8.695 -9.026 -24.065 1.00 64.54 H new ATOM 0 HB VAL A 34 10.024 -8.241 -22.175 1.00 14.23 H new ATOM 0 HG11 VAL A 34 10.014 -9.422 -20.015 1.00 11.03 H new ATOM 0 HG12 VAL A 34 8.429 -8.701 -20.381 1.00 11.03 H new ATOM 0 HG13 VAL A 34 8.681 -10.451 -20.588 1.00 11.03 H new ATOM 0 HG21 VAL A 34 11.488 -10.191 -21.843 1.00 51.41 H new ATOM 0 HG22 VAL A 34 10.215 -11.252 -22.491 1.00 51.41 H new ATOM 0 HG23 VAL A 34 10.975 -10.031 -23.539 1.00 51.41 H new ATOM 531 N GLU A 35 7.965 -11.394 -24.210 1.00 25.10 N ATOM 532 CA GLU A 35 7.483 -12.763 -24.352 1.00 12.35 C ATOM 533 C GLU A 35 8.546 -13.651 -24.990 1.00 63.43 C ATOM 534 O GLU A 35 9.252 -13.233 -25.908 1.00 10.50 O ATOM 535 CB GLU A 35 6.205 -12.792 -25.193 1.00 63.11 C ATOM 536 CG GLU A 35 5.699 -14.195 -25.482 1.00 34.34 C ATOM 537 CD GLU A 35 6.219 -14.745 -26.796 1.00 10.24 C ATOM 538 OE1 GLU A 35 5.667 -14.374 -27.853 1.00 4.10 O ATOM 539 OE2 GLU A 35 7.177 -15.545 -26.767 1.00 32.42 O ATOM 0 H GLU A 35 8.409 -11.014 -25.046 1.00 25.10 H new ATOM 0 HA GLU A 35 7.263 -13.149 -23.357 1.00 12.35 H new ATOM 0 HB2 GLU A 35 5.426 -12.233 -24.674 1.00 63.11 H new ATOM 0 HB3 GLU A 35 6.390 -12.280 -26.137 1.00 63.11 H new ATOM 0 HG2 GLU A 35 5.998 -14.859 -24.671 1.00 34.34 H new ATOM 0 HG3 GLU A 35 4.609 -14.187 -25.502 1.00 34.34 H new ATOM 546 N VAL A 36 8.656 -14.881 -24.497 1.00 74.14 N ATOM 547 CA VAL A 36 9.632 -15.830 -25.019 1.00 40.21 C ATOM 548 C VAL A 36 9.030 -17.225 -25.146 1.00 12.42 C ATOM 549 O VAL A 36 7.867 -17.441 -24.807 1.00 74.55 O ATOM 550 CB VAL A 36 10.881 -15.901 -24.120 1.00 73.52 C ATOM 551 CG1 VAL A 36 11.607 -14.565 -24.108 1.00 24.32 C ATOM 552 CG2 VAL A 36 10.498 -16.323 -22.710 1.00 14.55 C ATOM 0 H VAL A 36 8.081 -15.243 -23.737 1.00 74.14 H new ATOM 0 HA VAL A 36 9.924 -15.473 -26.007 1.00 40.21 H new ATOM 0 HB VAL A 36 11.559 -16.651 -24.527 1.00 73.52 H new ATOM 0 HG11 VAL A 36 12.486 -14.635 -23.468 1.00 24.32 H new ATOM 0 HG12 VAL A 36 11.915 -14.309 -25.122 1.00 24.32 H new ATOM 0 HG13 VAL A 36 10.940 -13.792 -23.726 1.00 24.32 H new ATOM 0 HG21 VAL A 36 11.392 -16.368 -22.088 1.00 14.55 H new ATOM 0 HG22 VAL A 36 9.800 -15.598 -22.290 1.00 14.55 H new ATOM 0 HG23 VAL A 36 10.027 -17.305 -22.740 1.00 14.55 H new ATOM 562 N GLN A 37 9.830 -18.166 -25.635 1.00 31.51 N ATOM 563 CA GLN A 37 9.375 -19.541 -25.807 1.00 32.13 C ATOM 564 C GLN A 37 9.842 -20.418 -24.649 1.00 53.34 C ATOM 565 O GLN A 37 11.015 -20.782 -24.567 1.00 40.15 O ATOM 566 CB GLN A 37 9.888 -20.109 -27.131 1.00 52.33 C ATOM 567 CG GLN A 37 8.959 -19.847 -28.306 1.00 32.32 C ATOM 568 CD GLN A 37 9.602 -20.165 -29.641 1.00 64.10 C ATOM 569 OE1 GLN A 37 9.077 -20.958 -30.423 1.00 64.31 O ATOM 570 NE2 GLN A 37 10.746 -19.546 -29.910 1.00 21.25 N ATOM 0 H GLN A 37 10.796 -18.002 -25.919 1.00 31.51 H new ATOM 0 HA GLN A 37 8.285 -19.537 -25.820 1.00 32.13 H new ATOM 0 HB2 GLN A 37 10.865 -19.677 -27.348 1.00 52.33 H new ATOM 0 HB3 GLN A 37 10.031 -21.184 -27.024 1.00 52.33 H new ATOM 0 HG2 GLN A 37 8.056 -20.446 -28.190 1.00 32.32 H new ATOM 0 HG3 GLN A 37 8.652 -18.801 -28.295 1.00 32.32 H new ATOM 0 HE21 GLN A 37 11.146 -18.896 -29.233 1.00 21.25 H new ATOM 0 HE22 GLN A 37 11.225 -19.720 -30.794 1.00 21.25 H new ATOM 579 N TYR A 38 8.917 -20.753 -23.757 1.00 14.40 N ATOM 580 CA TYR A 38 9.234 -21.584 -22.602 1.00 63.11 C ATOM 581 C TYR A 38 9.068 -23.064 -22.934 1.00 3.11 C ATOM 582 O TYR A 38 7.950 -23.562 -23.058 1.00 51.01 O ATOM 583 CB TYR A 38 8.340 -21.212 -21.418 1.00 61.11 C ATOM 584 CG TYR A 38 9.005 -21.405 -20.074 1.00 15.44 C ATOM 585 CD1 TYR A 38 9.649 -22.595 -19.760 1.00 3.24 C ATOM 586 CD2 TYR A 38 8.987 -20.397 -19.117 1.00 32.20 C ATOM 587 CE1 TYR A 38 10.257 -22.776 -18.532 1.00 42.42 C ATOM 588 CE2 TYR A 38 9.593 -20.569 -17.888 1.00 2.33 C ATOM 589 CZ TYR A 38 10.227 -21.760 -17.600 1.00 11.50 C ATOM 590 OH TYR A 38 10.831 -21.935 -16.376 1.00 51.20 O ATOM 0 H TYR A 38 7.941 -20.462 -23.812 1.00 14.40 H new ATOM 0 HA TYR A 38 10.275 -21.405 -22.333 1.00 63.11 H new ATOM 0 HB2 TYR A 38 8.035 -20.170 -21.517 1.00 61.11 H new ATOM 0 HB3 TYR A 38 7.433 -21.815 -21.455 1.00 61.11 H new ATOM 0 HD1 TYR A 38 9.675 -23.392 -20.488 1.00 3.24 H new ATOM 0 HD2 TYR A 38 8.491 -19.464 -19.338 1.00 32.20 H new ATOM 0 HE1 TYR A 38 10.753 -23.708 -18.304 1.00 42.42 H new ATOM 0 HE2 TYR A 38 9.571 -19.775 -17.156 1.00 2.33 H new ATOM 0 HH TYR A 38 10.430 -21.324 -15.723 1.00 51.20 H new ATOM 600 N ALA A 39 10.191 -23.761 -23.076 1.00 32.23 N ATOM 601 CA ALA A 39 10.171 -25.184 -23.390 1.00 64.34 C ATOM 602 C ALA A 39 10.293 -26.028 -22.126 1.00 42.00 C ATOM 603 O ALA A 39 11.145 -26.911 -22.037 1.00 2.22 O ATOM 604 CB ALA A 39 11.290 -25.525 -24.364 1.00 51.32 C ATOM 0 H ALA A 39 11.125 -23.363 -22.979 1.00 32.23 H new ATOM 0 HA ALA A 39 9.213 -25.414 -23.857 1.00 64.34 H new ATOM 0 HB1 ALA A 39 11.263 -26.591 -24.590 1.00 51.32 H new ATOM 0 HB2 ALA A 39 11.158 -24.956 -25.284 1.00 51.32 H new ATOM 0 HB3 ALA A 39 12.251 -25.273 -23.916 1.00 51.32 H new ATOM 675 N LYS A 46 7.056 -21.128 -13.625 1.00 5.45 N ATOM 676 CA LYS A 46 7.099 -19.678 -13.478 1.00 44.41 C ATOM 677 C LYS A 46 8.002 -19.050 -14.536 1.00 22.43 C ATOM 678 O LYS A 46 9.036 -19.613 -14.896 1.00 42.14 O ATOM 679 CB LYS A 46 7.595 -19.300 -12.080 1.00 50.13 C ATOM 680 CG LYS A 46 7.318 -17.854 -11.707 1.00 43.10 C ATOM 681 CD LYS A 46 7.206 -17.678 -10.202 1.00 21.21 C ATOM 682 CE LYS A 46 5.773 -17.860 -9.725 1.00 3.32 C ATOM 683 NZ LYS A 46 5.531 -17.175 -8.425 1.00 32.23 N ATOM 0 HA LYS A 46 6.088 -19.295 -13.614 1.00 44.41 H new ATOM 0 HB2 LYS A 46 7.121 -19.953 -11.347 1.00 50.13 H new ATOM 0 HB3 LYS A 46 8.668 -19.482 -12.023 1.00 50.13 H new ATOM 0 HG2 LYS A 46 8.117 -17.219 -12.090 1.00 43.10 H new ATOM 0 HG3 LYS A 46 6.394 -17.525 -12.182 1.00 43.10 H new ATOM 0 HD2 LYS A 46 7.852 -18.399 -9.701 1.00 21.21 H new ATOM 0 HD3 LYS A 46 7.560 -16.686 -9.923 1.00 21.21 H new ATOM 0 HE2 LYS A 46 5.087 -17.467 -10.476 1.00 3.32 H new ATOM 0 HE3 LYS A 46 5.557 -18.923 -9.621 1.00 3.32 H new ATOM 0 HZ1 LYS A 46 4.544 -17.322 -8.134 1.00 32.23 H new ATOM 0 HZ2 LYS A 46 6.168 -17.567 -7.702 1.00 32.23 H new ATOM 0 HZ3 LYS A 46 5.713 -16.156 -8.530 1.00 32.23 H new ATOM 697 N VAL A 47 7.605 -17.881 -15.028 1.00 63.44 N ATOM 698 CA VAL A 47 8.380 -17.177 -16.043 1.00 53.21 C ATOM 699 C VAL A 47 9.061 -15.945 -15.457 1.00 62.25 C ATOM 700 O VAL A 47 8.493 -14.854 -15.411 1.00 43.24 O ATOM 701 CB VAL A 47 7.493 -16.746 -17.227 1.00 4.44 C ATOM 702 CG1 VAL A 47 8.345 -16.185 -18.356 1.00 21.45 C ATOM 703 CG2 VAL A 47 6.650 -17.914 -17.713 1.00 71.15 C ATOM 0 H VAL A 47 6.752 -17.402 -14.741 1.00 63.44 H new ATOM 0 HA VAL A 47 9.139 -17.872 -16.402 1.00 53.21 H new ATOM 0 HB VAL A 47 6.820 -15.959 -16.887 1.00 4.44 H new ATOM 0 HG11 VAL A 47 7.701 -15.886 -19.183 1.00 21.45 H new ATOM 0 HG12 VAL A 47 8.900 -15.319 -17.997 1.00 21.45 H new ATOM 0 HG13 VAL A 47 9.044 -16.948 -18.698 1.00 21.45 H new ATOM 0 HG21 VAL A 47 6.030 -17.592 -18.549 1.00 71.15 H new ATOM 0 HG22 VAL A 47 7.303 -18.724 -18.037 1.00 71.15 H new ATOM 0 HG23 VAL A 47 6.012 -18.264 -16.902 1.00 71.15 H new ATOM 713 N PRO A 48 10.309 -16.121 -14.999 1.00 22.42 N ATOM 714 CA PRO A 48 11.096 -15.035 -14.408 1.00 44.14 C ATOM 715 C PRO A 48 11.518 -13.997 -15.443 1.00 3.45 C ATOM 716 O PRO A 48 11.765 -14.326 -16.602 1.00 72.51 O ATOM 717 CB PRO A 48 12.323 -15.753 -13.841 1.00 21.40 C ATOM 718 CG PRO A 48 12.451 -16.990 -14.661 1.00 71.34 C ATOM 719 CD PRO A 48 11.048 -17.395 -15.022 1.00 1.04 C ATOM 0 HA PRO A 48 10.528 -14.479 -13.662 1.00 44.14 H new ATOM 0 HB2 PRO A 48 13.216 -15.132 -13.919 1.00 21.40 H new ATOM 0 HB3 PRO A 48 12.190 -15.990 -12.785 1.00 21.40 H new ATOM 0 HG2 PRO A 48 13.046 -16.805 -15.555 1.00 71.34 H new ATOM 0 HG3 PRO A 48 12.953 -17.779 -14.101 1.00 71.34 H new ATOM 0 HD2 PRO A 48 11.006 -17.866 -16.004 1.00 1.04 H new ATOM 0 HD3 PRO A 48 10.639 -18.110 -14.307 1.00 1.04 H new ATOM 727 N ALA A 49 11.600 -12.741 -15.014 1.00 74.05 N ATOM 728 CA ALA A 49 11.996 -11.655 -15.903 1.00 22.44 C ATOM 729 C ALA A 49 12.576 -10.486 -15.115 1.00 4.22 C ATOM 730 O ALA A 49 11.910 -9.917 -14.250 1.00 61.43 O ATOM 731 CB ALA A 49 10.810 -11.196 -16.737 1.00 14.44 C ATOM 0 H ALA A 49 11.398 -12.451 -14.057 1.00 74.05 H new ATOM 0 HA ALA A 49 12.771 -12.029 -16.571 1.00 22.44 H new ATOM 0 HB1 ALA A 49 11.121 -10.385 -17.396 1.00 14.44 H new ATOM 0 HB2 ALA A 49 10.442 -12.029 -17.336 1.00 14.44 H new ATOM 0 HB3 ALA A 49 10.016 -10.844 -16.078 1.00 14.44 H new ATOM 737 N GLN A 50 13.821 -10.133 -15.419 1.00 42.21 N ATOM 738 CA GLN A 50 14.491 -9.032 -14.736 1.00 61.33 C ATOM 739 C GLN A 50 15.256 -8.162 -15.728 1.00 10.43 C ATOM 740 O GLN A 50 15.432 -8.533 -16.888 1.00 23.35 O ATOM 741 CB GLN A 50 15.446 -9.572 -13.670 1.00 44.33 C ATOM 742 CG GLN A 50 14.791 -9.777 -12.314 1.00 4.31 C ATOM 743 CD GLN A 50 14.852 -8.537 -11.443 1.00 75.04 C ATOM 744 OE1 GLN A 50 13.829 -8.059 -10.952 1.00 34.53 O ATOM 745 NE2 GLN A 50 16.054 -8.008 -11.248 1.00 31.41 N ATOM 0 H GLN A 50 14.386 -10.593 -16.133 1.00 42.21 H new ATOM 0 HA GLN A 50 13.730 -8.418 -14.254 1.00 61.33 H new ATOM 0 HB2 GLN A 50 15.859 -10.521 -14.012 1.00 44.33 H new ATOM 0 HB3 GLN A 50 16.282 -8.881 -13.560 1.00 44.33 H new ATOM 0 HG2 GLN A 50 13.749 -10.065 -12.458 1.00 4.31 H new ATOM 0 HG3 GLN A 50 15.282 -10.603 -11.799 1.00 4.31 H new ATOM 0 HE21 GLN A 50 16.875 -8.437 -11.674 1.00 31.41 H new ATOM 0 HE22 GLN A 50 16.156 -7.173 -10.672 1.00 31.41 H new ATOM 754 N MET A 51 15.707 -7.001 -15.263 1.00 25.30 N ATOM 755 CA MET A 51 16.454 -6.078 -16.110 1.00 2.05 C ATOM 756 C MET A 51 17.387 -5.208 -15.274 1.00 5.23 C ATOM 757 O MET A 51 16.950 -4.522 -14.350 1.00 24.31 O ATOM 758 CB MET A 51 15.494 -5.195 -16.909 1.00 10.13 C ATOM 759 CG MET A 51 14.516 -4.420 -16.041 1.00 0.14 C ATOM 760 SD MET A 51 13.088 -3.823 -16.966 1.00 20.32 S ATOM 761 CE MET A 51 11.889 -3.628 -15.649 1.00 43.24 C ATOM 0 H MET A 51 15.568 -6.678 -14.306 1.00 25.30 H new ATOM 0 HA MET A 51 17.057 -6.666 -16.802 1.00 2.05 H new ATOM 0 HB2 MET A 51 16.073 -4.491 -17.507 1.00 10.13 H new ATOM 0 HB3 MET A 51 14.934 -5.819 -17.605 1.00 10.13 H new ATOM 0 HG2 MET A 51 14.175 -5.058 -15.226 1.00 0.14 H new ATOM 0 HG3 MET A 51 15.031 -3.573 -15.588 1.00 0.14 H new ATOM 0 HE1 MET A 51 10.934 -3.315 -16.070 1.00 43.24 H new ATOM 0 HE2 MET A 51 11.762 -4.577 -15.129 1.00 43.24 H new ATOM 0 HE3 MET A 51 12.241 -2.873 -14.946 1.00 43.24 H new ATOM 771 N ALA A 52 18.674 -5.241 -15.604 1.00 43.23 N ATOM 772 CA ALA A 52 19.668 -4.453 -14.885 1.00 61.34 C ATOM 773 C ALA A 52 20.812 -4.041 -15.806 1.00 1.05 C ATOM 774 O ALA A 52 21.176 -4.772 -16.726 1.00 70.55 O ATOM 775 CB ALA A 52 20.202 -5.236 -13.695 1.00 73.40 C ATOM 0 H ALA A 52 19.053 -5.805 -16.365 1.00 43.23 H new ATOM 0 HA ALA A 52 19.184 -3.547 -14.522 1.00 61.34 H new ATOM 0 HB1 ALA A 52 20.943 -4.636 -13.167 1.00 73.40 H new ATOM 0 HB2 ALA A 52 19.381 -5.475 -13.019 1.00 73.40 H new ATOM 0 HB3 ALA A 52 20.665 -6.159 -14.045 1.00 73.40 H new ATOM 781 N VAL A 53 21.376 -2.864 -15.551 1.00 33.32 N ATOM 782 CA VAL A 53 22.479 -2.354 -16.357 1.00 34.43 C ATOM 783 C VAL A 53 23.770 -3.107 -16.059 1.00 64.43 C ATOM 784 O VAL A 53 24.586 -3.338 -16.952 1.00 70.41 O ATOM 785 CB VAL A 53 22.705 -0.851 -16.111 1.00 3.04 C ATOM 786 CG1 VAL A 53 21.493 -0.048 -16.557 1.00 42.11 C ATOM 787 CG2 VAL A 53 23.016 -0.592 -14.644 1.00 34.51 C ATOM 0 H VAL A 53 21.087 -2.246 -14.793 1.00 33.32 H new ATOM 0 HA VAL A 53 22.206 -2.506 -17.401 1.00 34.43 H new ATOM 0 HB VAL A 53 23.562 -0.529 -16.703 1.00 3.04 H new ATOM 0 HG11 VAL A 53 21.672 1.012 -16.375 1.00 42.11 H new ATOM 0 HG12 VAL A 53 21.321 -0.210 -17.621 1.00 42.11 H new ATOM 0 HG13 VAL A 53 20.616 -0.370 -15.995 1.00 42.11 H new ATOM 0 HG21 VAL A 53 23.173 0.475 -14.488 1.00 34.51 H new ATOM 0 HG22 VAL A 53 22.181 -0.929 -14.030 1.00 34.51 H new ATOM 0 HG23 VAL A 53 23.917 -1.136 -14.362 1.00 34.51 H new ATOM 797 N ASP A 54 23.950 -3.488 -14.799 1.00 71.24 N ATOM 798 CA ASP A 54 25.143 -4.216 -14.383 1.00 44.51 C ATOM 799 C ASP A 54 24.886 -5.719 -14.368 1.00 31.00 C ATOM 800 O ASP A 54 23.751 -6.162 -14.197 1.00 73.45 O ATOM 801 CB ASP A 54 25.594 -3.749 -12.998 1.00 12.21 C ATOM 802 CG ASP A 54 26.547 -2.572 -13.065 1.00 42.12 C ATOM 803 OD1 ASP A 54 27.774 -2.796 -12.987 1.00 35.12 O ATOM 804 OD2 ASP A 54 26.067 -1.427 -13.197 1.00 42.12 O ATOM 0 H ASP A 54 23.285 -3.305 -14.048 1.00 71.24 H new ATOM 0 HA ASP A 54 25.934 -4.009 -15.104 1.00 44.51 H new ATOM 0 HB2 ASP A 54 24.720 -3.472 -12.409 1.00 12.21 H new ATOM 0 HB3 ASP A 54 26.079 -4.576 -12.479 1.00 12.21 H new ATOM 809 N MET A 55 25.948 -6.498 -14.549 1.00 14.13 N ATOM 810 CA MET A 55 25.836 -7.952 -14.556 1.00 11.14 C ATOM 811 C MET A 55 26.335 -8.542 -13.240 1.00 53.33 C ATOM 812 O MET A 55 25.777 -9.516 -12.736 1.00 72.03 O ATOM 813 CB MET A 55 26.628 -8.540 -15.725 1.00 21.02 C ATOM 814 CG MET A 55 26.200 -9.949 -16.101 1.00 61.21 C ATOM 815 SD MET A 55 26.962 -10.521 -17.632 1.00 23.12 S ATOM 816 CE MET A 55 27.580 -12.124 -17.124 1.00 45.31 C ATOM 0 H MET A 55 26.895 -6.147 -14.693 1.00 14.13 H new ATOM 0 HA MET A 55 24.784 -8.210 -14.673 1.00 11.14 H new ATOM 0 HB2 MET A 55 26.515 -7.891 -16.593 1.00 21.02 H new ATOM 0 HB3 MET A 55 27.687 -8.547 -15.468 1.00 21.02 H new ATOM 0 HG2 MET A 55 26.461 -10.632 -15.293 1.00 61.21 H new ATOM 0 HG3 MET A 55 25.115 -9.979 -16.206 1.00 61.21 H new ATOM 0 HE1 MET A 55 28.079 -12.605 -17.965 1.00 45.31 H new ATOM 0 HE2 MET A 55 28.288 -11.998 -16.305 1.00 45.31 H new ATOM 0 HE3 MET A 55 26.749 -12.746 -16.792 1.00 45.31 H new ATOM 826 N GLN A 56 27.388 -7.945 -12.691 1.00 34.02 N ATOM 827 CA GLN A 56 27.961 -8.413 -11.435 1.00 22.42 C ATOM 828 C GLN A 56 27.014 -8.144 -10.270 1.00 22.30 C ATOM 829 O GLN A 56 26.894 -8.957 -9.352 1.00 43.32 O ATOM 830 CB GLN A 56 29.308 -7.734 -11.180 1.00 71.21 C ATOM 831 CG GLN A 56 30.168 -8.454 -10.153 1.00 53.35 C ATOM 832 CD GLN A 56 30.582 -9.840 -10.607 1.00 53.45 C ATOM 833 OE1 GLN A 56 30.217 -10.842 -9.992 1.00 55.14 O ATOM 834 NE2 GLN A 56 31.348 -9.904 -11.690 1.00 3.12 N ATOM 0 H GLN A 56 27.861 -7.137 -13.096 1.00 34.02 H new ATOM 0 HA GLN A 56 28.114 -9.489 -11.514 1.00 22.42 H new ATOM 0 HB2 GLN A 56 29.857 -7.669 -12.120 1.00 71.21 H new ATOM 0 HB3 GLN A 56 29.132 -6.713 -10.843 1.00 71.21 H new ATOM 0 HG2 GLN A 56 31.060 -7.860 -9.951 1.00 53.35 H new ATOM 0 HG3 GLN A 56 29.618 -8.532 -9.215 1.00 53.35 H new ATOM 0 HE21 GLN A 56 31.627 -9.048 -12.169 1.00 3.12 H new ATOM 0 HE22 GLN A 56 31.657 -10.810 -12.043 1.00 3.12 H new ATOM 843 N THR A 57 26.342 -6.998 -10.313 1.00 3.15 N ATOM 844 CA THR A 57 25.407 -6.621 -9.260 1.00 50.35 C ATOM 845 C THR A 57 23.989 -7.065 -9.600 1.00 51.23 C ATOM 846 O THR A 57 23.293 -7.646 -8.767 1.00 32.22 O ATOM 847 CB THR A 57 25.413 -5.099 -9.023 1.00 11.25 C ATOM 848 OG1 THR A 57 24.789 -4.428 -10.124 1.00 24.45 O ATOM 849 CG2 THR A 57 26.834 -4.584 -8.848 1.00 33.04 C ATOM 0 H THR A 57 26.428 -6.315 -11.066 1.00 3.15 H new ATOM 0 HA THR A 57 25.734 -7.125 -8.350 1.00 50.35 H new ATOM 0 HB THR A 57 24.854 -4.894 -8.110 1.00 11.25 H new ATOM 0 HG1 THR A 57 24.796 -3.461 -9.964 1.00 24.45 H new ATOM 0 HG21 THR A 57 26.813 -3.507 -8.682 1.00 33.04 H new ATOM 0 HG22 THR A 57 27.296 -5.074 -7.991 1.00 33.04 H new ATOM 0 HG23 THR A 57 27.413 -4.801 -9.746 1.00 33.04 H new ATOM 857 N LEU A 58 23.566 -6.789 -10.829 1.00 0.40 N ATOM 858 CA LEU A 58 22.229 -7.160 -11.279 1.00 41.35 C ATOM 859 C LEU A 58 21.164 -6.612 -10.335 1.00 3.42 C ATOM 860 O LEU A 58 20.305 -7.351 -9.854 1.00 14.30 O ATOM 861 CB LEU A 58 22.106 -8.681 -11.377 1.00 23.44 C ATOM 862 CG LEU A 58 22.715 -9.326 -12.623 1.00 15.31 C ATOM 863 CD1 LEU A 58 23.167 -10.746 -12.323 1.00 33.33 C ATOM 864 CD2 LEU A 58 21.716 -9.313 -13.771 1.00 71.20 C ATOM 0 H LEU A 58 24.129 -6.310 -11.531 1.00 0.40 H new ATOM 0 HA LEU A 58 22.072 -6.725 -12.266 1.00 41.35 H new ATOM 0 HB2 LEU A 58 22.577 -9.121 -10.498 1.00 23.44 H new ATOM 0 HB3 LEU A 58 21.049 -8.943 -11.337 1.00 23.44 H new ATOM 0 HG LEU A 58 23.588 -8.745 -12.920 1.00 15.31 H new ATOM 0 HD11 LEU A 58 23.597 -11.188 -13.221 1.00 33.33 H new ATOM 0 HD12 LEU A 58 23.916 -10.730 -11.532 1.00 33.33 H new ATOM 0 HD13 LEU A 58 22.312 -11.340 -12.000 1.00 33.33 H new ATOM 0 HD21 LEU A 58 22.165 -9.776 -14.650 1.00 71.20 H new ATOM 0 HD22 LEU A 58 20.824 -9.870 -13.484 1.00 71.20 H new ATOM 0 HD23 LEU A 58 21.442 -8.284 -14.003 1.00 71.20 H new ATOM 876 N THR A 59 21.226 -5.309 -10.074 1.00 32.43 N ATOM 877 CA THR A 59 20.267 -4.661 -9.188 1.00 73.31 C ATOM 878 C THR A 59 18.889 -4.579 -9.835 1.00 61.24 C ATOM 879 O THR A 59 18.753 -4.535 -11.058 1.00 52.12 O ATOM 880 CB THR A 59 20.726 -3.242 -8.804 1.00 65.22 C ATOM 881 OG1 THR A 59 20.955 -2.465 -9.985 1.00 24.20 O ATOM 882 CG2 THR A 59 21.997 -3.292 -7.970 1.00 24.43 C ATOM 0 H THR A 59 21.930 -4.683 -10.464 1.00 32.43 H new ATOM 0 HA THR A 59 20.207 -5.272 -8.287 1.00 73.31 H new ATOM 0 HB THR A 59 19.939 -2.777 -8.211 1.00 65.22 H new ATOM 0 HG1 THR A 59 21.245 -1.564 -9.732 1.00 24.20 H new ATOM 0 HG21 THR A 59 22.302 -2.278 -7.711 1.00 24.43 H new ATOM 0 HG22 THR A 59 21.812 -3.860 -7.058 1.00 24.43 H new ATOM 0 HG23 THR A 59 22.789 -3.774 -8.543 1.00 24.43 H new ATOM 890 N PRO A 60 17.841 -4.557 -8.998 1.00 64.42 N ATOM 891 CA PRO A 60 16.455 -4.479 -9.467 1.00 53.22 C ATOM 892 C PRO A 60 16.124 -3.119 -10.073 1.00 31.01 C ATOM 893 O PRO A 60 16.257 -2.086 -9.416 1.00 25.50 O ATOM 894 CB PRO A 60 15.636 -4.711 -8.195 1.00 2.22 C ATOM 895 CG PRO A 60 16.531 -4.280 -7.085 1.00 2.53 C ATOM 896 CD PRO A 60 17.930 -4.607 -7.529 1.00 72.42 C ATOM 0 HA PRO A 60 16.252 -5.200 -10.259 1.00 53.22 H new ATOM 0 HB2 PRO A 60 14.713 -4.131 -8.207 1.00 2.22 H new ATOM 0 HB3 PRO A 60 15.353 -5.759 -8.092 1.00 2.22 H new ATOM 0 HG2 PRO A 60 16.423 -3.213 -6.889 1.00 2.53 H new ATOM 0 HG3 PRO A 60 16.284 -4.801 -6.160 1.00 2.53 H new ATOM 0 HD2 PRO A 60 18.652 -3.887 -7.145 1.00 72.42 H new ATOM 0 HD3 PRO A 60 18.244 -5.590 -7.178 1.00 72.42 H new ATOM 904 N VAL A 61 15.691 -3.126 -11.330 1.00 0.43 N ATOM 905 CA VAL A 61 15.341 -1.892 -12.024 1.00 75.30 C ATOM 906 C VAL A 61 13.843 -1.823 -12.299 1.00 74.22 C ATOM 907 O VAL A 61 13.205 -2.837 -12.579 1.00 72.23 O ATOM 908 CB VAL A 61 16.103 -1.762 -13.356 1.00 74.22 C ATOM 909 CG1 VAL A 61 15.833 -0.409 -13.996 1.00 0.32 C ATOM 910 CG2 VAL A 61 17.594 -1.971 -13.139 1.00 53.10 C ATOM 0 H VAL A 61 15.574 -3.972 -11.888 1.00 0.43 H new ATOM 0 HA VAL A 61 15.626 -1.068 -11.369 1.00 75.30 H new ATOM 0 HB VAL A 61 15.746 -2.536 -14.036 1.00 74.22 H new ATOM 0 HG11 VAL A 61 16.380 -0.336 -14.936 1.00 0.32 H new ATOM 0 HG12 VAL A 61 14.765 -0.304 -14.188 1.00 0.32 H new ATOM 0 HG13 VAL A 61 16.160 0.384 -13.323 1.00 0.32 H new ATOM 0 HG21 VAL A 61 18.117 -1.876 -14.091 1.00 53.10 H new ATOM 0 HG22 VAL A 61 17.969 -1.221 -12.442 1.00 53.10 H new ATOM 0 HG23 VAL A 61 17.766 -2.966 -12.729 1.00 53.10 H new ATOM 920 N GLY A 62 13.286 -0.618 -12.218 1.00 23.33 N ATOM 921 CA GLY A 62 11.867 -0.439 -12.460 1.00 12.30 C ATOM 922 C GLY A 62 11.009 -1.115 -11.409 1.00 1.22 C ATOM 923 O GLY A 62 11.495 -1.466 -10.334 1.00 21.14 O ATOM 0 H GLY A 62 13.793 0.237 -11.989 1.00 23.33 H new ATOM 0 HA2 GLY A 62 11.637 0.626 -12.482 1.00 12.30 H new ATOM 0 HA3 GLY A 62 11.616 -0.840 -13.442 1.00 12.30 H new ATOM 927 N ARG A 63 9.729 -1.296 -11.718 1.00 65.15 N ATOM 928 CA ARG A 63 8.802 -1.933 -10.791 1.00 71.14 C ATOM 929 C ARG A 63 8.061 -3.083 -11.468 1.00 12.42 C ATOM 930 O ARG A 63 8.180 -3.286 -12.677 1.00 31.42 O ATOM 931 CB ARG A 63 7.798 -0.910 -10.257 1.00 4.42 C ATOM 932 CG ARG A 63 6.947 -0.268 -11.340 1.00 43.13 C ATOM 933 CD ARG A 63 5.784 0.512 -10.747 1.00 24.35 C ATOM 934 NE ARG A 63 4.707 -0.368 -10.300 1.00 3.42 N ATOM 935 CZ ARG A 63 3.502 0.067 -9.949 1.00 72.54 C ATOM 936 NH1 ARG A 63 3.221 1.362 -9.994 1.00 70.52 N ATOM 937 NH2 ARG A 63 2.574 -0.796 -9.554 1.00 10.44 N ATOM 0 H ARG A 63 9.311 -1.010 -12.603 1.00 65.15 H new ATOM 0 HA ARG A 63 9.379 -2.335 -9.958 1.00 71.14 H new ATOM 0 HB2 ARG A 63 7.144 -1.399 -9.535 1.00 4.42 H new ATOM 0 HB3 ARG A 63 8.338 -0.130 -9.721 1.00 4.42 H new ATOM 0 HG2 ARG A 63 7.565 0.399 -11.942 1.00 43.13 H new ATOM 0 HG3 ARG A 63 6.565 -1.039 -12.009 1.00 43.13 H new ATOM 0 HD2 ARG A 63 6.138 1.108 -9.906 1.00 24.35 H new ATOM 0 HD3 ARG A 63 5.398 1.209 -11.491 1.00 24.35 H new ATOM 0 HE ARG A 63 4.890 -1.370 -10.255 1.00 3.42 H new ATOM 0 HH11 ARG A 63 3.931 2.028 -10.299 1.00 70.52 H new ATOM 0 HH12 ARG A 63 2.295 1.693 -9.724 1.00 70.52 H new ATOM 0 HH21 ARG A 63 2.786 -1.793 -9.520 1.00 10.44 H new ATOM 0 HH22 ARG A 63 1.649 -0.462 -9.284 1.00 10.44 H new ATOM 951 N LEU A 64 7.296 -3.831 -10.680 1.00 64.35 N ATOM 952 CA LEU A 64 6.535 -4.961 -11.203 1.00 11.32 C ATOM 953 C LEU A 64 5.080 -4.572 -11.444 1.00 50.51 C ATOM 954 O LEU A 64 4.425 -4.006 -10.568 1.00 2.20 O ATOM 955 CB LEU A 64 6.605 -6.141 -10.232 1.00 51.11 C ATOM 956 CG LEU A 64 8.006 -6.652 -9.897 1.00 4.24 C ATOM 957 CD1 LEU A 64 7.961 -7.587 -8.698 1.00 70.13 C ATOM 958 CD2 LEU A 64 8.621 -7.353 -11.100 1.00 13.24 C ATOM 0 H LEU A 64 7.186 -3.676 -9.678 1.00 64.35 H new ATOM 0 HA LEU A 64 6.976 -5.255 -12.155 1.00 11.32 H new ATOM 0 HB2 LEU A 64 6.114 -5.851 -9.303 1.00 51.11 H new ATOM 0 HB3 LEU A 64 6.030 -6.966 -10.652 1.00 51.11 H new ATOM 0 HG LEU A 64 8.632 -5.797 -9.642 1.00 4.24 H new ATOM 0 HD11 LEU A 64 8.967 -7.941 -8.474 1.00 70.13 H new ATOM 0 HD12 LEU A 64 7.564 -7.053 -7.835 1.00 70.13 H new ATOM 0 HD13 LEU A 64 7.319 -8.438 -8.924 1.00 70.13 H new ATOM 0 HD21 LEU A 64 9.618 -7.710 -10.843 1.00 13.24 H new ATOM 0 HD22 LEU A 64 7.996 -8.198 -11.387 1.00 13.24 H new ATOM 0 HD23 LEU A 64 8.690 -6.653 -11.933 1.00 13.24 H new ATOM 970 N ILE A 65 4.580 -4.880 -12.636 1.00 22.11 N ATOM 971 CA ILE A 65 3.202 -4.566 -12.990 1.00 74.32 C ATOM 972 C ILE A 65 2.320 -5.808 -12.920 1.00 73.45 C ATOM 973 O ILE A 65 1.155 -5.736 -12.526 1.00 63.01 O ATOM 974 CB ILE A 65 3.107 -3.962 -14.404 1.00 22.13 C ATOM 975 CG1 ILE A 65 3.957 -2.693 -14.497 1.00 73.03 C ATOM 976 CG2 ILE A 65 1.658 -3.663 -14.756 1.00 73.01 C ATOM 977 CD1 ILE A 65 3.477 -1.577 -13.596 1.00 22.13 C ATOM 0 H ILE A 65 5.109 -5.347 -13.373 1.00 22.11 H new ATOM 0 HA ILE A 65 2.850 -3.831 -12.266 1.00 74.32 H new ATOM 0 HB ILE A 65 3.491 -4.688 -15.121 1.00 22.13 H new ATOM 0 HG12 ILE A 65 4.988 -2.937 -14.242 1.00 73.03 H new ATOM 0 HG13 ILE A 65 3.958 -2.341 -15.529 1.00 73.03 H new ATOM 0 HG21 ILE A 65 1.607 -3.237 -15.758 1.00 73.01 H new ATOM 0 HG22 ILE A 65 1.078 -4.585 -14.724 1.00 73.01 H new ATOM 0 HG23 ILE A 65 1.248 -2.952 -14.038 1.00 73.01 H new ATOM 0 HD11 ILE A 65 4.126 -0.709 -13.714 1.00 22.13 H new ATOM 0 HD12 ILE A 65 2.456 -1.306 -13.865 1.00 22.13 H new ATOM 0 HD13 ILE A 65 3.502 -1.911 -12.559 1.00 22.13 H new ATOM 989 N THR A 66 2.883 -6.950 -13.305 1.00 11.24 N ATOM 990 CA THR A 66 2.149 -8.209 -13.284 1.00 42.11 C ATOM 991 C THR A 66 2.048 -8.763 -11.868 1.00 21.42 C ATOM 992 O THR A 66 2.752 -8.315 -10.964 1.00 3.22 O ATOM 993 CB THR A 66 2.816 -9.262 -14.189 1.00 74.23 C ATOM 994 OG1 THR A 66 3.855 -8.655 -14.965 1.00 55.52 O ATOM 995 CG2 THR A 66 1.794 -9.904 -15.115 1.00 73.33 C ATOM 0 H THR A 66 3.845 -7.028 -13.635 1.00 11.24 H new ATOM 0 HA THR A 66 1.148 -7.998 -13.660 1.00 42.11 H new ATOM 0 HB THR A 66 3.244 -10.036 -13.553 1.00 74.23 H new ATOM 0 HG1 THR A 66 4.275 -9.332 -15.536 1.00 55.52 H new ATOM 0 HG21 THR A 66 2.288 -10.644 -15.745 1.00 73.33 H new ATOM 0 HG22 THR A 66 1.020 -10.391 -14.521 1.00 73.33 H new ATOM 0 HG23 THR A 66 1.341 -9.138 -15.744 1.00 73.33 H new ATOM 1003 N ALA A 67 1.168 -9.742 -11.682 1.00 3.12 N ATOM 1004 CA ALA A 67 0.978 -10.360 -10.376 1.00 12.15 C ATOM 1005 C ALA A 67 1.814 -11.628 -10.241 1.00 3.23 C ATOM 1006 O ALA A 67 2.646 -11.741 -9.342 1.00 3.13 O ATOM 1007 CB ALA A 67 -0.494 -10.670 -10.148 1.00 13.21 C ATOM 0 H ALA A 67 0.576 -10.124 -12.420 1.00 3.12 H new ATOM 0 HA ALA A 67 1.312 -9.654 -9.616 1.00 12.15 H new ATOM 0 HB1 ALA A 67 -0.621 -11.131 -9.169 1.00 13.21 H new ATOM 0 HB2 ALA A 67 -1.071 -9.747 -10.192 1.00 13.21 H new ATOM 0 HB3 ALA A 67 -0.845 -11.355 -10.920 1.00 13.21 H new ATOM 1013 N ASN A 68 1.587 -12.580 -11.140 1.00 51.41 N ATOM 1014 CA ASN A 68 2.319 -13.841 -11.120 1.00 43.42 C ATOM 1015 C ASN A 68 1.886 -14.740 -12.274 1.00 40.42 C ATOM 1016 O ASN A 68 1.251 -15.777 -12.081 1.00 40.44 O ATOM 1017 CB ASN A 68 2.100 -14.561 -9.788 1.00 41.41 C ATOM 1018 CG ASN A 68 0.665 -14.464 -9.308 1.00 0.43 C ATOM 1019 OD1 ASN A 68 0.292 -13.513 -8.621 1.00 14.32 O ATOM 1020 ND2 ASN A 68 -0.147 -15.451 -9.668 1.00 12.52 N ATOM 0 H ASN A 68 0.902 -12.502 -11.892 1.00 51.41 H new ATOM 0 HA ASN A 68 3.380 -13.618 -11.235 1.00 43.42 H new ATOM 0 HB2 ASN A 68 2.374 -15.610 -9.896 1.00 41.41 H new ATOM 0 HB3 ASN A 68 2.762 -14.135 -9.034 1.00 41.41 H new ATOM 0 HD21 ASN A 68 -1.124 -15.441 -9.374 1.00 12.52 H new ATOM 0 HD22 ASN A 68 0.206 -16.219 -10.238 1.00 12.52 H new ATOM 1027 N PRO A 69 2.237 -14.335 -13.504 1.00 2.43 N ATOM 1028 CA PRO A 69 1.896 -15.089 -14.713 1.00 65.53 C ATOM 1029 C PRO A 69 2.671 -16.399 -14.817 1.00 2.22 C ATOM 1030 O PRO A 69 3.895 -16.419 -14.689 1.00 24.35 O ATOM 1031 CB PRO A 69 2.295 -14.141 -15.847 1.00 72.41 C ATOM 1032 CG PRO A 69 3.351 -13.271 -15.259 1.00 44.15 C ATOM 1033 CD PRO A 69 2.994 -13.109 -13.808 1.00 3.32 C ATOM 0 HA PRO A 69 0.845 -15.378 -14.730 1.00 65.53 H new ATOM 0 HB2 PRO A 69 2.670 -14.691 -16.710 1.00 72.41 H new ATOM 0 HB3 PRO A 69 1.443 -13.553 -16.190 1.00 72.41 H new ATOM 0 HG2 PRO A 69 4.336 -13.724 -15.370 1.00 44.15 H new ATOM 0 HG3 PRO A 69 3.386 -12.305 -15.762 1.00 44.15 H new ATOM 0 HD2 PRO A 69 3.883 -13.020 -13.183 1.00 3.32 H new ATOM 0 HD3 PRO A 69 2.395 -12.214 -13.639 1.00 3.32 H new ATOM 1041 N VAL A 70 1.950 -17.491 -15.050 1.00 42.12 N ATOM 1042 CA VAL A 70 2.571 -18.805 -15.174 1.00 15.44 C ATOM 1043 C VAL A 70 2.049 -19.546 -16.399 1.00 53.23 C ATOM 1044 O VAL A 70 0.903 -19.358 -16.809 1.00 71.14 O ATOM 1045 CB VAL A 70 2.318 -19.665 -13.921 1.00 53.50 C ATOM 1046 CG1 VAL A 70 2.816 -18.951 -12.674 1.00 3.03 C ATOM 1047 CG2 VAL A 70 0.840 -20.003 -13.797 1.00 13.31 C ATOM 0 H VAL A 70 0.936 -17.492 -15.157 1.00 42.12 H new ATOM 0 HA VAL A 70 3.643 -18.640 -15.283 1.00 15.44 H new ATOM 0 HB VAL A 70 2.873 -20.597 -14.023 1.00 53.50 H new ATOM 0 HG11 VAL A 70 2.629 -19.574 -11.799 1.00 3.03 H new ATOM 0 HG12 VAL A 70 3.886 -18.765 -12.764 1.00 3.03 H new ATOM 0 HG13 VAL A 70 2.290 -18.002 -12.564 1.00 3.03 H new ATOM 0 HG21 VAL A 70 0.679 -20.611 -12.907 1.00 13.31 H new ATOM 0 HG22 VAL A 70 0.262 -19.083 -13.717 1.00 13.31 H new ATOM 0 HG23 VAL A 70 0.519 -20.558 -14.678 1.00 13.31 H new ATOM 1057 N ILE A 71 2.896 -20.388 -16.980 1.00 24.54 N ATOM 1058 CA ILE A 71 2.520 -21.159 -18.159 1.00 3.34 C ATOM 1059 C ILE A 71 1.489 -22.227 -17.811 1.00 65.42 C ATOM 1060 O ILE A 71 1.794 -23.199 -17.118 1.00 2.41 O ATOM 1061 CB ILE A 71 3.745 -21.833 -18.805 1.00 32.45 C ATOM 1062 CG1 ILE A 71 4.805 -20.787 -19.154 1.00 64.41 C ATOM 1063 CG2 ILE A 71 3.329 -22.609 -20.045 1.00 70.24 C ATOM 1064 CD1 ILE A 71 4.305 -19.709 -20.090 1.00 23.13 C ATOM 0 H ILE A 71 3.848 -20.554 -16.654 1.00 24.54 H new ATOM 0 HA ILE A 71 2.086 -20.457 -18.871 1.00 3.34 H new ATOM 0 HB ILE A 71 4.176 -22.534 -18.090 1.00 32.45 H new ATOM 0 HG12 ILE A 71 5.161 -20.322 -18.235 1.00 64.41 H new ATOM 0 HG13 ILE A 71 5.660 -21.286 -19.611 1.00 64.41 H new ATOM 0 HG21 ILE A 71 4.205 -23.080 -20.491 1.00 70.24 H new ATOM 0 HG22 ILE A 71 2.606 -23.376 -19.768 1.00 70.24 H new ATOM 0 HG23 ILE A 71 2.877 -21.928 -20.766 1.00 70.24 H new ATOM 0 HD11 ILE A 71 5.109 -19.002 -20.294 1.00 23.13 H new ATOM 0 HD12 ILE A 71 3.975 -20.163 -21.025 1.00 23.13 H new ATOM 0 HD13 ILE A 71 3.469 -19.184 -19.627 1.00 23.13 H new ATOM 1076 N THR A 72 0.267 -22.043 -18.299 1.00 75.22 N ATOM 1077 CA THR A 72 -0.810 -22.991 -18.040 1.00 53.53 C ATOM 1078 C THR A 72 -1.192 -23.749 -19.306 1.00 43.14 C ATOM 1079 O THR A 72 -2.239 -24.392 -19.363 1.00 71.21 O ATOM 1080 CB THR A 72 -2.060 -22.282 -17.484 1.00 22.33 C ATOM 1081 OG1 THR A 72 -2.240 -21.021 -18.137 1.00 3.21 O ATOM 1082 CG2 THR A 72 -1.937 -22.069 -15.982 1.00 52.15 C ATOM 0 H THR A 72 -0.002 -21.246 -18.876 1.00 75.22 H new ATOM 0 HA THR A 72 -0.439 -23.696 -17.296 1.00 53.53 H new ATOM 0 HB THR A 72 -2.926 -22.916 -17.676 1.00 22.33 H new ATOM 0 HG1 THR A 72 -3.037 -20.578 -17.779 1.00 3.21 H new ATOM 0 HG21 THR A 72 -2.831 -21.567 -15.611 1.00 52.15 H new ATOM 0 HG22 THR A 72 -1.830 -23.033 -15.485 1.00 52.15 H new ATOM 0 HG23 THR A 72 -1.062 -21.454 -15.772 1.00 52.15 H new ATOM 1090 N GLU A 73 -0.335 -23.669 -20.319 1.00 64.05 N ATOM 1091 CA GLU A 73 -0.583 -24.350 -21.585 1.00 10.21 C ATOM 1092 C GLU A 73 0.057 -25.735 -21.592 1.00 72.12 C ATOM 1093 O GLU A 73 1.230 -25.891 -21.252 1.00 54.33 O ATOM 1094 CB GLU A 73 -0.042 -23.520 -22.751 1.00 2.22 C ATOM 1095 CG GLU A 73 -0.905 -22.317 -23.094 1.00 62.33 C ATOM 1096 CD GLU A 73 -0.455 -21.620 -24.363 1.00 40.23 C ATOM 1097 OE1 GLU A 73 0.042 -20.478 -24.268 1.00 24.24 O ATOM 1098 OE2 GLU A 73 -0.600 -22.215 -25.451 1.00 54.35 O ATOM 0 H GLU A 73 0.537 -23.140 -20.288 1.00 64.05 H new ATOM 0 HA GLU A 73 -1.661 -24.466 -21.701 1.00 10.21 H new ATOM 0 HB2 GLU A 73 0.963 -23.177 -22.506 1.00 2.22 H new ATOM 0 HB3 GLU A 73 0.044 -24.158 -23.631 1.00 2.22 H new ATOM 0 HG2 GLU A 73 -1.941 -22.638 -23.208 1.00 62.33 H new ATOM 0 HG3 GLU A 73 -0.880 -21.608 -22.266 1.00 62.33 H new ATOM 1105 N SER A 74 -0.723 -26.739 -21.982 1.00 10.44 N ATOM 1106 CA SER A 74 -0.235 -28.112 -22.031 1.00 5.33 C ATOM 1107 C SER A 74 0.863 -28.261 -23.080 1.00 53.32 C ATOM 1108 O SER A 74 1.853 -28.961 -22.866 1.00 2.51 O ATOM 1109 CB SER A 74 -1.384 -29.074 -22.338 1.00 1.42 C ATOM 1110 OG SER A 74 -2.569 -28.684 -21.666 1.00 2.44 O ATOM 0 H SER A 74 -1.695 -26.627 -22.269 1.00 10.44 H new ATOM 0 HA SER A 74 0.183 -28.358 -21.055 1.00 5.33 H new ATOM 0 HB2 SER A 74 -1.563 -29.100 -23.413 1.00 1.42 H new ATOM 0 HB3 SER A 74 -1.107 -30.084 -22.037 1.00 1.42 H new ATOM 0 HG SER A 74 -3.289 -29.314 -21.880 1.00 2.44 H new ATOM 1116 N THR A 75 0.679 -27.597 -24.218 1.00 22.24 N ATOM 1117 CA THR A 75 1.651 -27.656 -25.302 1.00 2.41 C ATOM 1118 C THR A 75 2.920 -26.890 -24.945 1.00 21.12 C ATOM 1119 O THR A 75 2.858 -25.764 -24.452 1.00 61.14 O ATOM 1120 CB THR A 75 1.070 -27.083 -26.609 1.00 3.15 C ATOM 1121 OG1 THR A 75 0.313 -25.900 -26.331 1.00 34.02 O ATOM 1122 CG2 THR A 75 0.185 -28.107 -27.302 1.00 33.32 C ATOM 0 H THR A 75 -0.134 -27.013 -24.412 1.00 22.24 H new ATOM 0 HA THR A 75 1.895 -28.708 -25.451 1.00 2.41 H new ATOM 0 HB THR A 75 1.899 -26.835 -27.272 1.00 3.15 H new ATOM 0 HG1 THR A 75 -0.051 -25.541 -27.167 1.00 34.02 H new ATOM 0 HG21 THR A 75 -0.214 -27.680 -28.222 1.00 33.32 H new ATOM 0 HG22 THR A 75 0.772 -28.995 -27.538 1.00 33.32 H new ATOM 0 HG23 THR A 75 -0.639 -28.382 -26.643 1.00 33.32 H new ATOM 1130 N GLU A 76 4.070 -27.508 -25.197 1.00 34.41 N ATOM 1131 CA GLU A 76 5.353 -26.883 -24.901 1.00 63.31 C ATOM 1132 C GLU A 76 5.549 -25.621 -25.737 1.00 24.54 C ATOM 1133 O GLU A 76 4.680 -25.242 -26.520 1.00 64.33 O ATOM 1134 CB GLU A 76 6.497 -27.865 -25.165 1.00 33.45 C ATOM 1135 CG GLU A 76 6.417 -29.131 -24.327 1.00 43.23 C ATOM 1136 CD GLU A 76 7.329 -30.228 -24.841 1.00 22.25 C ATOM 1137 OE1 GLU A 76 7.215 -30.585 -26.032 1.00 35.21 O ATOM 1138 OE2 GLU A 76 8.157 -30.730 -24.052 1.00 11.03 O ATOM 0 H GLU A 76 4.139 -28.440 -25.605 1.00 34.41 H new ATOM 0 HA GLU A 76 5.358 -26.605 -23.847 1.00 63.31 H new ATOM 0 HB2 GLU A 76 6.495 -28.137 -26.220 1.00 33.45 H new ATOM 0 HB3 GLU A 76 7.446 -27.367 -24.966 1.00 33.45 H new ATOM 0 HG2 GLU A 76 6.681 -28.897 -23.296 1.00 43.23 H new ATOM 0 HG3 GLU A 76 5.389 -29.492 -24.318 1.00 43.23 H new ATOM 1145 N ASN A 77 6.698 -24.976 -25.562 1.00 12.43 N ATOM 1146 CA ASN A 77 7.009 -23.756 -26.299 1.00 32.23 C ATOM 1147 C ASN A 77 5.881 -22.738 -26.166 1.00 14.31 C ATOM 1148 O ASN A 77 5.528 -22.058 -27.129 1.00 52.44 O ATOM 1149 CB ASN A 77 7.251 -24.076 -27.775 1.00 43.42 C ATOM 1150 CG ASN A 77 8.479 -24.940 -27.985 1.00 63.35 C ATOM 1151 OD1 ASN A 77 9.502 -24.474 -28.488 1.00 11.01 O ATOM 1152 ND2 ASN A 77 8.383 -26.208 -27.601 1.00 1.30 N ATOM 0 H ASN A 77 7.428 -25.277 -24.917 1.00 12.43 H new ATOM 0 HA ASN A 77 7.915 -23.325 -25.874 1.00 32.23 H new ATOM 0 HB2 ASN A 77 6.378 -24.586 -28.181 1.00 43.42 H new ATOM 0 HB3 ASN A 77 7.365 -23.146 -28.332 1.00 43.42 H new ATOM 0 HD21 ASN A 77 9.177 -26.838 -27.718 1.00 1.30 H new ATOM 0 HD22 ASN A 77 7.516 -26.552 -27.189 1.00 1.30 H new ATOM 1159 N SER A 78 5.319 -22.638 -24.965 1.00 40.03 N ATOM 1160 CA SER A 78 4.228 -21.705 -24.707 1.00 25.24 C ATOM 1161 C SER A 78 4.739 -20.268 -24.672 1.00 65.10 C ATOM 1162 O SER A 78 5.884 -20.012 -24.297 1.00 32.02 O ATOM 1163 CB SER A 78 3.541 -22.046 -23.383 1.00 52.11 C ATOM 1164 OG SER A 78 3.197 -23.419 -23.326 1.00 20.52 O ATOM 0 H SER A 78 5.601 -23.191 -24.156 1.00 40.03 H new ATOM 0 HA SER A 78 3.505 -21.796 -25.518 1.00 25.24 H new ATOM 0 HB2 SER A 78 4.202 -21.799 -22.552 1.00 52.11 H new ATOM 0 HB3 SER A 78 2.644 -21.438 -23.268 1.00 52.11 H new ATOM 0 HG SER A 78 3.235 -23.803 -24.227 1.00 20.52 H new ATOM 1170 N LYS A 79 3.882 -19.332 -25.066 1.00 64.55 N ATOM 1171 CA LYS A 79 4.244 -17.920 -25.081 1.00 60.11 C ATOM 1172 C LYS A 79 3.268 -17.100 -24.244 1.00 11.21 C ATOM 1173 O LYS A 79 2.059 -17.329 -24.281 1.00 43.11 O ATOM 1174 CB LYS A 79 4.268 -17.393 -26.518 1.00 32.42 C ATOM 1175 CG LYS A 79 5.476 -17.854 -27.314 1.00 43.24 C ATOM 1176 CD LYS A 79 5.217 -19.183 -28.003 1.00 74.04 C ATOM 1177 CE LYS A 79 4.618 -18.986 -29.387 1.00 54.25 C ATOM 1178 NZ LYS A 79 4.047 -20.250 -29.930 1.00 52.41 N ATOM 0 H LYS A 79 2.931 -19.526 -25.379 1.00 64.55 H new ATOM 0 HA LYS A 79 5.239 -17.821 -24.648 1.00 60.11 H new ATOM 0 HB2 LYS A 79 3.361 -17.716 -27.030 1.00 32.42 H new ATOM 0 HB3 LYS A 79 4.251 -16.303 -26.497 1.00 32.42 H new ATOM 0 HG2 LYS A 79 5.731 -17.101 -28.059 1.00 43.24 H new ATOM 0 HG3 LYS A 79 6.335 -17.949 -26.650 1.00 43.24 H new ATOM 0 HD2 LYS A 79 6.151 -19.739 -28.085 1.00 74.04 H new ATOM 0 HD3 LYS A 79 4.541 -19.784 -27.395 1.00 74.04 H new ATOM 0 HE2 LYS A 79 3.838 -18.226 -29.340 1.00 54.25 H new ATOM 0 HE3 LYS A 79 5.386 -18.614 -30.065 1.00 54.25 H new ATOM 0 HZ1 LYS A 79 3.649 -20.073 -30.874 1.00 52.41 H new ATOM 0 HZ2 LYS A 79 4.796 -20.968 -29.999 1.00 52.41 H new ATOM 0 HZ3 LYS A 79 3.297 -20.592 -29.296 1.00 52.41 H new ATOM 1192 N MET A 80 3.800 -16.143 -23.491 1.00 3.12 N ATOM 1193 CA MET A 80 2.975 -15.288 -22.646 1.00 12.32 C ATOM 1194 C MET A 80 3.510 -13.859 -22.630 1.00 21.50 C ATOM 1195 O MET A 80 4.710 -13.635 -22.787 1.00 12.11 O ATOM 1196 CB MET A 80 2.922 -15.841 -21.220 1.00 42.04 C ATOM 1197 CG MET A 80 1.642 -15.491 -20.480 1.00 34.43 C ATOM 1198 SD MET A 80 1.303 -16.614 -19.110 1.00 74.45 S ATOM 1199 CE MET A 80 -0.256 -17.326 -19.634 1.00 3.42 C ATOM 0 H MET A 80 4.799 -15.940 -23.449 1.00 3.12 H new ATOM 0 HA MET A 80 1.967 -15.275 -23.061 1.00 12.32 H new ATOM 0 HB2 MET A 80 3.027 -16.925 -21.255 1.00 42.04 H new ATOM 0 HB3 MET A 80 3.773 -15.457 -20.658 1.00 42.04 H new ATOM 0 HG2 MET A 80 1.713 -14.472 -20.100 1.00 34.43 H new ATOM 0 HG3 MET A 80 0.805 -15.513 -21.178 1.00 34.43 H new ATOM 0 HE1 MET A 80 -0.597 -18.044 -18.888 1.00 3.42 H new ATOM 0 HE2 MET A 80 -0.998 -16.536 -19.744 1.00 3.42 H new ATOM 0 HE3 MET A 80 -0.122 -17.833 -20.590 1.00 3.42 H new ATOM 1209 N MET A 81 2.613 -12.898 -22.440 1.00 14.11 N ATOM 1210 CA MET A 81 2.996 -11.491 -22.404 1.00 61.42 C ATOM 1211 C MET A 81 3.178 -11.014 -20.967 1.00 14.30 C ATOM 1212 O MET A 81 2.727 -11.665 -20.024 1.00 32.21 O ATOM 1213 CB MET A 81 1.942 -10.635 -23.109 1.00 62.32 C ATOM 1214 CG MET A 81 2.357 -10.184 -24.500 1.00 43.40 C ATOM 1215 SD MET A 81 0.959 -10.040 -25.630 1.00 24.51 S ATOM 1216 CE MET A 81 1.440 -8.602 -26.583 1.00 1.04 C ATOM 0 H MET A 81 1.616 -13.067 -22.309 1.00 14.11 H new ATOM 0 HA MET A 81 3.947 -11.386 -22.926 1.00 61.42 H new ATOM 0 HB2 MET A 81 1.014 -11.202 -23.182 1.00 62.32 H new ATOM 0 HB3 MET A 81 1.732 -9.757 -22.499 1.00 62.32 H new ATOM 0 HG2 MET A 81 2.863 -9.221 -24.430 1.00 43.40 H new ATOM 0 HG3 MET A 81 3.077 -10.893 -24.908 1.00 43.40 H new ATOM 0 HE1 MET A 81 0.673 -8.385 -27.327 1.00 1.04 H new ATOM 0 HE2 MET A 81 1.553 -7.746 -25.918 1.00 1.04 H new ATOM 0 HE3 MET A 81 2.387 -8.798 -27.085 1.00 1.04 H new ATOM 1226 N LEU A 82 3.840 -9.874 -20.807 1.00 2.54 N ATOM 1227 CA LEU A 82 4.082 -9.309 -19.483 1.00 54.44 C ATOM 1228 C LEU A 82 4.037 -7.784 -19.526 1.00 25.52 C ATOM 1229 O LEU A 82 4.081 -7.183 -20.598 1.00 51.13 O ATOM 1230 CB LEU A 82 5.436 -9.776 -18.947 1.00 34.21 C ATOM 1231 CG LEU A 82 5.689 -11.284 -18.987 1.00 2.41 C ATOM 1232 CD1 LEU A 82 7.165 -11.582 -18.776 1.00 22.45 C ATOM 1233 CD2 LEU A 82 4.844 -11.995 -17.940 1.00 51.51 C ATOM 0 H LEU A 82 4.219 -9.322 -21.577 1.00 2.54 H new ATOM 0 HA LEU A 82 3.294 -9.659 -18.816 1.00 54.44 H new ATOM 0 HB2 LEU A 82 6.221 -9.281 -19.518 1.00 34.21 H new ATOM 0 HB3 LEU A 82 5.532 -9.439 -17.915 1.00 34.21 H new ATOM 0 HG LEU A 82 5.401 -11.656 -19.970 1.00 2.41 H new ATOM 0 HD11 LEU A 82 7.327 -12.659 -18.807 1.00 22.45 H new ATOM 0 HD12 LEU A 82 7.749 -11.104 -19.563 1.00 22.45 H new ATOM 0 HD13 LEU A 82 7.479 -11.196 -17.806 1.00 22.45 H new ATOM 0 HD21 LEU A 82 5.037 -13.067 -17.983 1.00 51.51 H new ATOM 0 HD22 LEU A 82 5.100 -11.620 -16.949 1.00 51.51 H new ATOM 0 HD23 LEU A 82 3.788 -11.808 -18.137 1.00 51.51 H new ATOM 1245 N GLU A 83 3.953 -7.167 -18.351 1.00 61.15 N ATOM 1246 CA GLU A 83 3.905 -5.713 -18.256 1.00 4.25 C ATOM 1247 C GLU A 83 5.129 -5.176 -17.518 1.00 15.12 C ATOM 1248 O GLU A 83 5.408 -5.572 -16.386 1.00 25.24 O ATOM 1249 CB GLU A 83 2.628 -5.268 -17.539 1.00 64.43 C ATOM 1250 CG GLU A 83 1.415 -5.190 -18.451 1.00 2.42 C ATOM 1251 CD GLU A 83 0.107 -5.310 -17.693 1.00 3.30 C ATOM 1252 OE1 GLU A 83 -0.024 -6.252 -16.884 1.00 34.10 O ATOM 1253 OE2 GLU A 83 -0.784 -4.462 -17.909 1.00 30.33 O ATOM 0 H GLU A 83 3.917 -7.651 -17.454 1.00 61.15 H new ATOM 0 HA GLU A 83 3.905 -5.308 -19.268 1.00 4.25 H new ATOM 0 HB2 GLU A 83 2.417 -5.962 -16.726 1.00 64.43 H new ATOM 0 HB3 GLU A 83 2.796 -4.290 -17.088 1.00 64.43 H new ATOM 0 HG2 GLU A 83 1.432 -4.244 -18.992 1.00 2.42 H new ATOM 0 HG3 GLU A 83 1.473 -5.984 -19.196 1.00 2.42 H new ATOM 1260 N LEU A 84 5.854 -4.272 -18.167 1.00 60.32 N ATOM 1261 CA LEU A 84 7.047 -3.679 -17.574 1.00 3.14 C ATOM 1262 C LEU A 84 7.053 -2.165 -17.759 1.00 54.02 C ATOM 1263 O LEU A 84 6.766 -1.662 -18.846 1.00 4.22 O ATOM 1264 CB LEU A 84 8.306 -4.285 -18.197 1.00 20.04 C ATOM 1265 CG LEU A 84 8.714 -5.665 -17.678 1.00 40.53 C ATOM 1266 CD1 LEU A 84 7.974 -6.758 -18.433 1.00 23.44 C ATOM 1267 CD2 LEU A 84 10.219 -5.856 -17.798 1.00 50.41 C ATOM 0 H LEU A 84 5.636 -3.934 -19.104 1.00 60.32 H new ATOM 0 HA LEU A 84 7.037 -3.896 -16.506 1.00 3.14 H new ATOM 0 HB2 LEU A 84 8.157 -4.354 -19.275 1.00 20.04 H new ATOM 0 HB3 LEU A 84 9.136 -3.597 -18.033 1.00 20.04 H new ATOM 0 HG LEU A 84 8.443 -5.732 -16.624 1.00 40.53 H new ATOM 0 HD11 LEU A 84 8.276 -7.733 -18.051 1.00 23.44 H new ATOM 0 HD12 LEU A 84 6.900 -6.632 -18.296 1.00 23.44 H new ATOM 0 HD13 LEU A 84 8.214 -6.694 -19.494 1.00 23.44 H new ATOM 0 HD21 LEU A 84 10.491 -6.843 -17.424 1.00 50.41 H new ATOM 0 HD22 LEU A 84 10.514 -5.770 -18.844 1.00 50.41 H new ATOM 0 HD23 LEU A 84 10.731 -5.092 -17.212 1.00 50.41 H new ATOM 1279 N ASP A 85 7.382 -1.445 -16.693 1.00 12.32 N ATOM 1280 CA ASP A 85 7.427 0.012 -16.738 1.00 45.25 C ATOM 1281 C ASP A 85 8.700 0.537 -16.081 1.00 63.14 C ATOM 1282 O ASP A 85 8.677 1.096 -14.985 1.00 10.12 O ATOM 1283 CB ASP A 85 6.199 0.604 -16.045 1.00 44.31 C ATOM 1284 CG ASP A 85 5.858 1.990 -16.556 1.00 72.04 C ATOM 1285 OD1 ASP A 85 6.161 2.280 -17.733 1.00 12.21 O ATOM 1286 OD2 ASP A 85 5.287 2.784 -15.780 1.00 55.15 O ATOM 0 H ASP A 85 7.622 -1.846 -15.786 1.00 12.32 H new ATOM 0 HA ASP A 85 7.426 0.318 -17.784 1.00 45.25 H new ATOM 0 HB2 ASP A 85 5.346 -0.057 -16.198 1.00 44.31 H new ATOM 0 HB3 ASP A 85 6.378 0.650 -14.971 1.00 44.31 H new ATOM 1291 N PRO A 86 9.839 0.352 -16.766 1.00 2.34 N ATOM 1292 CA PRO A 86 11.143 0.798 -16.267 1.00 4.24 C ATOM 1293 C PRO A 86 11.275 2.317 -16.266 1.00 3.34 C ATOM 1294 O PRO A 86 10.464 3.035 -16.850 1.00 14.41 O ATOM 1295 CB PRO A 86 12.133 0.176 -17.255 1.00 51.33 C ATOM 1296 CG PRO A 86 11.351 -0.006 -18.510 1.00 35.42 C ATOM 1297 CD PRO A 86 9.941 -0.305 -18.079 1.00 61.32 C ATOM 0 HA PRO A 86 11.307 0.498 -15.232 1.00 4.24 H new ATOM 0 HB2 PRO A 86 12.993 0.826 -17.415 1.00 51.33 H new ATOM 0 HB3 PRO A 86 12.516 -0.775 -16.886 1.00 51.33 H new ATOM 0 HG2 PRO A 86 11.389 0.892 -19.127 1.00 35.42 H new ATOM 0 HG3 PRO A 86 11.757 -0.821 -19.108 1.00 35.42 H new ATOM 0 HD2 PRO A 86 9.212 0.093 -18.785 1.00 61.32 H new ATOM 0 HD3 PRO A 86 9.762 -1.378 -18.007 1.00 61.32 H new ATOM 1305 N PRO A 87 12.322 2.821 -15.595 1.00 31.23 N ATOM 1306 CA PRO A 87 12.585 4.260 -15.502 1.00 52.03 C ATOM 1307 C PRO A 87 13.027 4.855 -16.835 1.00 4.24 C ATOM 1308 O PRO A 87 12.985 4.188 -17.869 1.00 12.34 O ATOM 1309 CB PRO A 87 13.716 4.349 -14.475 1.00 20.31 C ATOM 1310 CG PRO A 87 14.401 3.028 -14.551 1.00 20.13 C ATOM 1311 CD PRO A 87 13.330 2.024 -14.875 1.00 73.12 C ATOM 0 HA PRO A 87 11.693 4.820 -15.222 1.00 52.03 H new ATOM 0 HB2 PRO A 87 14.401 5.164 -14.710 1.00 20.31 H new ATOM 0 HB3 PRO A 87 13.328 4.537 -13.474 1.00 20.31 H new ATOM 0 HG2 PRO A 87 15.175 3.034 -15.318 1.00 20.13 H new ATOM 0 HG3 PRO A 87 14.889 2.787 -13.607 1.00 20.13 H new ATOM 0 HD2 PRO A 87 13.714 1.211 -15.491 1.00 73.12 H new ATOM 0 HD3 PRO A 87 12.916 1.573 -13.973 1.00 73.12 H new ATOM 1319 N PHE A 88 13.453 6.114 -16.803 1.00 34.10 N ATOM 1320 CA PHE A 88 13.902 6.799 -18.009 1.00 5.31 C ATOM 1321 C PHE A 88 15.349 6.438 -18.332 1.00 44.30 C ATOM 1322 O PHE A 88 16.247 6.633 -17.514 1.00 0.43 O ATOM 1323 CB PHE A 88 13.768 8.314 -17.840 1.00 45.21 C ATOM 1324 CG PHE A 88 12.357 8.768 -17.601 1.00 52.22 C ATOM 1325 CD1 PHE A 88 11.618 9.343 -18.622 1.00 74.24 C ATOM 1326 CD2 PHE A 88 11.769 8.621 -16.355 1.00 23.30 C ATOM 1327 CE1 PHE A 88 10.318 9.761 -18.406 1.00 42.40 C ATOM 1328 CE2 PHE A 88 10.470 9.037 -16.133 1.00 23.12 C ATOM 1329 CZ PHE A 88 9.744 9.609 -17.159 1.00 42.11 C ATOM 0 H PHE A 88 13.496 6.680 -15.955 1.00 34.10 H new ATOM 0 HA PHE A 88 13.271 6.476 -18.837 1.00 5.31 H new ATOM 0 HB2 PHE A 88 14.391 8.635 -17.005 1.00 45.21 H new ATOM 0 HB3 PHE A 88 14.153 8.807 -18.733 1.00 45.21 H new ATOM 0 HD1 PHE A 88 12.063 9.466 -19.598 1.00 74.24 H new ATOM 0 HD2 PHE A 88 12.332 8.176 -15.548 1.00 23.30 H new ATOM 0 HE1 PHE A 88 9.752 10.206 -19.211 1.00 42.40 H new ATOM 0 HE2 PHE A 88 10.023 8.915 -15.158 1.00 23.12 H new ATOM 0 HZ PHE A 88 8.729 9.937 -16.987 1.00 42.11 H new ATOM 1339 N GLY A 89 15.567 5.909 -19.532 1.00 44.44 N ATOM 1340 CA GLY A 89 16.906 5.529 -19.944 1.00 2.35 C ATOM 1341 C GLY A 89 16.928 4.220 -20.707 1.00 64.00 C ATOM 1342 O GLY A 89 15.938 3.842 -21.334 1.00 4.23 O ATOM 0 H GLY A 89 14.840 5.737 -20.227 1.00 44.44 H new ATOM 0 HA2 GLY A 89 17.328 6.317 -20.568 1.00 2.35 H new ATOM 0 HA3 GLY A 89 17.543 5.444 -19.064 1.00 2.35 H new ATOM 1346 N ASP A 90 18.060 3.527 -20.656 1.00 65.25 N ATOM 1347 CA ASP A 90 18.208 2.252 -21.349 1.00 32.33 C ATOM 1348 C ASP A 90 18.583 1.143 -20.371 1.00 21.41 C ATOM 1349 O ASP A 90 19.245 1.388 -19.363 1.00 3.33 O ATOM 1350 CB ASP A 90 19.268 2.362 -22.445 1.00 41.15 C ATOM 1351 CG ASP A 90 19.217 3.693 -23.169 1.00 15.42 C ATOM 1352 OD1 ASP A 90 20.295 4.247 -23.472 1.00 34.40 O ATOM 1353 OD2 ASP A 90 18.098 4.182 -23.433 1.00 21.24 O ATOM 0 H ASP A 90 18.889 3.826 -20.142 1.00 65.25 H new ATOM 0 HA ASP A 90 17.250 2.002 -21.805 1.00 32.33 H new ATOM 0 HB2 ASP A 90 20.256 2.229 -22.005 1.00 41.15 H new ATOM 0 HB3 ASP A 90 19.128 1.555 -23.164 1.00 41.15 H new ATOM 1358 N SER A 91 18.155 -0.078 -20.676 1.00 34.14 N ATOM 1359 CA SER A 91 18.441 -1.224 -19.821 1.00 30.31 C ATOM 1360 C SER A 91 18.581 -2.498 -20.649 1.00 72.00 C ATOM 1361 O SER A 91 18.384 -2.486 -21.864 1.00 61.44 O ATOM 1362 CB SER A 91 17.335 -1.399 -18.779 1.00 31.15 C ATOM 1363 OG SER A 91 17.601 -0.630 -17.619 1.00 11.53 O ATOM 0 H SER A 91 17.609 -0.299 -21.509 1.00 34.14 H new ATOM 0 HA SER A 91 19.385 -1.037 -19.310 1.00 30.31 H new ATOM 0 HB2 SER A 91 16.378 -1.099 -19.206 1.00 31.15 H new ATOM 0 HB3 SER A 91 17.248 -2.452 -18.509 1.00 31.15 H new ATOM 0 HG SER A 91 18.150 0.145 -17.859 1.00 11.53 H new ATOM 1369 N TYR A 92 18.922 -3.595 -19.982 1.00 51.02 N ATOM 1370 CA TYR A 92 19.091 -4.877 -20.655 1.00 73.34 C ATOM 1371 C TYR A 92 18.040 -5.880 -20.188 1.00 63.24 C ATOM 1372 O TYR A 92 18.083 -6.358 -19.054 1.00 43.03 O ATOM 1373 CB TYR A 92 20.492 -5.432 -20.397 1.00 24.23 C ATOM 1374 CG TYR A 92 21.548 -4.867 -21.320 1.00 54.42 C ATOM 1375 CD1 TYR A 92 22.361 -3.815 -20.916 1.00 25.54 C ATOM 1376 CD2 TYR A 92 21.730 -5.382 -22.597 1.00 62.13 C ATOM 1377 CE1 TYR A 92 23.326 -3.295 -21.756 1.00 44.20 C ATOM 1378 CE2 TYR A 92 22.694 -4.869 -23.444 1.00 15.21 C ATOM 1379 CZ TYR A 92 23.489 -3.825 -23.019 1.00 31.11 C ATOM 1380 OH TYR A 92 24.449 -3.310 -23.860 1.00 33.03 O ATOM 0 H TYR A 92 19.087 -3.622 -18.976 1.00 51.02 H new ATOM 0 HA TYR A 92 18.963 -4.716 -21.725 1.00 73.34 H new ATOM 0 HB2 TYR A 92 20.773 -5.221 -19.365 1.00 24.23 H new ATOM 0 HB3 TYR A 92 20.469 -6.516 -20.505 1.00 24.23 H new ATOM 0 HD1 TYR A 92 22.236 -3.397 -19.928 1.00 25.54 H new ATOM 0 HD2 TYR A 92 21.107 -6.198 -22.934 1.00 62.13 H new ATOM 0 HE1 TYR A 92 23.950 -2.478 -21.426 1.00 44.20 H new ATOM 0 HE2 TYR A 92 22.824 -5.283 -24.433 1.00 15.21 H new ATOM 0 HH TYR A 92 24.434 -3.796 -24.711 1.00 33.03 H new ATOM 1390 N ILE A 93 17.098 -6.195 -21.071 1.00 44.33 N ATOM 1391 CA ILE A 93 16.038 -7.143 -20.751 1.00 42.55 C ATOM 1392 C ILE A 93 16.572 -8.570 -20.708 1.00 71.32 C ATOM 1393 O ILE A 93 17.004 -9.114 -21.725 1.00 32.33 O ATOM 1394 CB ILE A 93 14.888 -7.067 -21.773 1.00 44.14 C ATOM 1395 CG1 ILE A 93 14.309 -5.651 -21.818 1.00 60.51 C ATOM 1396 CG2 ILE A 93 13.805 -8.078 -21.428 1.00 3.23 C ATOM 1397 CD1 ILE A 93 13.491 -5.372 -23.059 1.00 71.45 C ATOM 0 H ILE A 93 17.047 -5.808 -22.013 1.00 44.33 H new ATOM 0 HA ILE A 93 15.657 -6.871 -19.767 1.00 42.55 H new ATOM 0 HB ILE A 93 15.282 -7.309 -22.760 1.00 44.14 H new ATOM 0 HG12 ILE A 93 13.685 -5.494 -20.938 1.00 60.51 H new ATOM 0 HG13 ILE A 93 15.126 -4.931 -21.762 1.00 60.51 H new ATOM 0 HG21 ILE A 93 12.999 -8.012 -22.159 1.00 3.23 H new ATOM 0 HG22 ILE A 93 14.227 -9.083 -21.443 1.00 3.23 H new ATOM 0 HG23 ILE A 93 13.411 -7.865 -20.434 1.00 3.23 H new ATOM 0 HD11 ILE A 93 13.112 -4.351 -23.023 1.00 71.45 H new ATOM 0 HD12 ILE A 93 14.117 -5.496 -23.943 1.00 71.45 H new ATOM 0 HD13 ILE A 93 12.653 -6.068 -23.107 1.00 71.45 H new ATOM 1409 N VAL A 94 16.537 -9.174 -19.524 1.00 43.42 N ATOM 1410 CA VAL A 94 17.016 -10.540 -19.348 1.00 12.51 C ATOM 1411 C VAL A 94 15.902 -11.451 -18.846 1.00 22.45 C ATOM 1412 O VAL A 94 15.166 -11.099 -17.923 1.00 43.03 O ATOM 1413 CB VAL A 94 18.197 -10.598 -18.361 1.00 14.44 C ATOM 1414 CG1 VAL A 94 18.800 -11.993 -18.331 1.00 61.51 C ATOM 1415 CG2 VAL A 94 19.248 -9.561 -18.726 1.00 51.25 C ATOM 0 H VAL A 94 16.182 -8.739 -18.673 1.00 43.42 H new ATOM 0 HA VAL A 94 17.353 -10.887 -20.325 1.00 12.51 H new ATOM 0 HB VAL A 94 17.825 -10.368 -17.363 1.00 14.44 H new ATOM 0 HG11 VAL A 94 19.633 -12.014 -17.628 1.00 61.51 H new ATOM 0 HG12 VAL A 94 18.042 -12.710 -18.017 1.00 61.51 H new ATOM 0 HG13 VAL A 94 19.158 -12.256 -19.326 1.00 61.51 H new ATOM 0 HG21 VAL A 94 20.075 -9.616 -18.018 1.00 51.25 H new ATOM 0 HG22 VAL A 94 19.618 -9.757 -19.732 1.00 51.25 H new ATOM 0 HG23 VAL A 94 18.805 -8.566 -18.690 1.00 51.25 H new ATOM 1425 N ILE A 95 15.785 -12.625 -19.458 1.00 14.14 N ATOM 1426 CA ILE A 95 14.761 -13.588 -19.071 1.00 64.41 C ATOM 1427 C ILE A 95 15.383 -14.820 -18.421 1.00 43.24 C ATOM 1428 O ILE A 95 16.209 -15.503 -19.025 1.00 45.21 O ATOM 1429 CB ILE A 95 13.919 -14.031 -20.282 1.00 12.11 C ATOM 1430 CG1 ILE A 95 13.262 -12.818 -20.945 1.00 23.14 C ATOM 1431 CG2 ILE A 95 12.866 -15.042 -19.853 1.00 53.23 C ATOM 1432 CD1 ILE A 95 12.265 -12.109 -20.055 1.00 24.32 C ATOM 0 H ILE A 95 16.386 -12.932 -20.223 1.00 14.14 H new ATOM 0 HA ILE A 95 14.113 -13.088 -18.351 1.00 64.41 H new ATOM 0 HB ILE A 95 14.577 -14.507 -21.009 1.00 12.11 H new ATOM 0 HG12 ILE A 95 14.038 -12.112 -21.242 1.00 23.14 H new ATOM 0 HG13 ILE A 95 12.758 -13.141 -21.856 1.00 23.14 H new ATOM 0 HG21 ILE A 95 12.279 -15.346 -20.720 1.00 53.23 H new ATOM 0 HG22 ILE A 95 13.355 -15.916 -19.422 1.00 53.23 H new ATOM 0 HG23 ILE A 95 12.209 -14.590 -19.110 1.00 53.23 H new ATOM 0 HD11 ILE A 95 11.839 -11.260 -20.590 1.00 24.32 H new ATOM 0 HD12 ILE A 95 11.469 -12.800 -19.778 1.00 24.32 H new ATOM 0 HD13 ILE A 95 12.768 -11.756 -19.155 1.00 24.32 H new ATOM 1444 N GLY A 96 14.979 -15.099 -17.186 1.00 15.21 N ATOM 1445 CA GLY A 96 15.504 -16.250 -16.475 1.00 53.04 C ATOM 1446 C GLY A 96 17.019 -16.268 -16.440 1.00 40.13 C ATOM 1447 O GLY A 96 17.668 -15.297 -16.831 1.00 31.34 O ATOM 0 H GLY A 96 14.297 -14.548 -16.665 1.00 15.21 H new ATOM 0 HA2 GLY A 96 15.120 -16.249 -15.455 1.00 53.04 H new ATOM 0 HA3 GLY A 96 15.144 -17.162 -16.950 1.00 53.04 H new ATOM 1451 N VAL A 97 17.586 -17.375 -15.970 1.00 15.43 N ATOM 1452 CA VAL A 97 19.034 -17.515 -15.884 1.00 62.04 C ATOM 1453 C VAL A 97 19.475 -18.919 -16.285 1.00 12.52 C ATOM 1454 O VAL A 97 18.701 -19.871 -16.200 1.00 23.35 O ATOM 1455 CB VAL A 97 19.545 -17.215 -14.463 1.00 14.44 C ATOM 1456 CG1 VAL A 97 19.166 -15.801 -14.047 1.00 31.44 C ATOM 1457 CG2 VAL A 97 18.999 -18.234 -13.475 1.00 34.44 C ATOM 0 H VAL A 97 17.064 -18.188 -15.643 1.00 15.43 H new ATOM 0 HA VAL A 97 19.463 -16.790 -16.576 1.00 62.04 H new ATOM 0 HB VAL A 97 20.632 -17.289 -14.463 1.00 14.44 H new ATOM 0 HG11 VAL A 97 19.535 -15.607 -13.040 1.00 31.44 H new ATOM 0 HG12 VAL A 97 19.610 -15.087 -14.740 1.00 31.44 H new ATOM 0 HG13 VAL A 97 18.081 -15.696 -14.062 1.00 31.44 H new ATOM 0 HG21 VAL A 97 19.370 -18.007 -12.476 1.00 34.44 H new ATOM 0 HG22 VAL A 97 17.910 -18.194 -13.475 1.00 34.44 H new ATOM 0 HG23 VAL A 97 19.325 -19.233 -13.765 1.00 34.44 H new ATOM 1467 N GLY A 98 20.725 -19.038 -16.722 1.00 72.51 N ATOM 1468 CA GLY A 98 21.247 -20.330 -17.130 1.00 3.51 C ATOM 1469 C GLY A 98 22.351 -20.209 -18.161 1.00 44.43 C ATOM 1470 O GLY A 98 22.988 -19.162 -18.278 1.00 11.00 O ATOM 0 H GLY A 98 21.385 -18.264 -16.801 1.00 72.51 H new ATOM 0 HA2 GLY A 98 21.627 -20.858 -16.255 1.00 3.51 H new ATOM 0 HA3 GLY A 98 20.437 -20.933 -17.539 1.00 3.51 H new ATOM 1474 N GLU A 99 22.580 -21.283 -18.910 1.00 51.13 N ATOM 1475 CA GLU A 99 23.617 -21.292 -19.935 1.00 61.32 C ATOM 1476 C GLU A 99 23.102 -20.684 -21.236 1.00 53.04 C ATOM 1477 O GLU A 99 23.842 -20.018 -21.960 1.00 63.24 O ATOM 1478 CB GLU A 99 24.105 -22.721 -20.185 1.00 41.34 C ATOM 1479 CG GLU A 99 23.028 -23.646 -20.728 1.00 4.45 C ATOM 1480 CD GLU A 99 23.391 -25.111 -20.582 1.00 53.12 C ATOM 1481 OE1 GLU A 99 24.457 -25.511 -21.094 1.00 61.34 O ATOM 1482 OE2 GLU A 99 22.609 -25.857 -19.957 1.00 55.10 O ATOM 0 H GLU A 99 22.062 -22.158 -18.826 1.00 51.13 H new ATOM 0 HA GLU A 99 24.451 -20.688 -19.577 1.00 61.32 H new ATOM 0 HB2 GLU A 99 24.937 -22.694 -20.888 1.00 41.34 H new ATOM 0 HB3 GLU A 99 24.489 -23.133 -19.252 1.00 41.34 H new ATOM 0 HG2 GLU A 99 22.091 -23.454 -20.205 1.00 4.45 H new ATOM 0 HG3 GLU A 99 22.857 -23.421 -21.781 1.00 4.45 H new ATOM 1489 N LYS A 100 21.827 -20.918 -21.528 1.00 34.04 N ATOM 1490 CA LYS A 100 21.209 -20.392 -22.739 1.00 61.43 C ATOM 1491 C LYS A 100 20.489 -19.078 -22.457 1.00 13.13 C ATOM 1492 O LYS A 100 19.452 -18.785 -23.053 1.00 42.01 O ATOM 1493 CB LYS A 100 20.225 -21.411 -23.318 1.00 72.31 C ATOM 1494 CG LYS A 100 20.875 -22.724 -23.720 1.00 55.14 C ATOM 1495 CD LYS A 100 19.999 -23.508 -24.683 1.00 54.44 C ATOM 1496 CE LYS A 100 20.736 -24.707 -25.258 1.00 25.44 C ATOM 1497 NZ LYS A 100 20.054 -25.253 -26.463 1.00 70.24 N ATOM 0 H LYS A 100 21.201 -21.469 -20.941 1.00 34.04 H new ATOM 0 HA LYS A 100 21.998 -20.204 -23.467 1.00 61.43 H new ATOM 0 HB2 LYS A 100 19.447 -21.611 -22.581 1.00 72.31 H new ATOM 0 HB3 LYS A 100 19.735 -20.976 -24.189 1.00 72.31 H new ATOM 0 HG2 LYS A 100 21.841 -22.526 -24.185 1.00 55.14 H new ATOM 0 HG3 LYS A 100 21.066 -23.324 -22.830 1.00 55.14 H new ATOM 0 HD2 LYS A 100 19.101 -23.846 -24.166 1.00 54.44 H new ATOM 0 HD3 LYS A 100 19.674 -22.856 -25.494 1.00 54.44 H new ATOM 0 HE2 LYS A 100 21.754 -24.417 -25.517 1.00 25.44 H new ATOM 0 HE3 LYS A 100 20.810 -25.486 -24.499 1.00 25.44 H new ATOM 0 HZ1 LYS A 100 20.588 -26.069 -26.824 1.00 70.24 H new ATOM 0 HZ2 LYS A 100 19.091 -25.554 -26.210 1.00 70.24 H new ATOM 0 HZ3 LYS A 100 20.006 -24.518 -27.197 1.00 70.24 H new ATOM 1511 N LYS A 101 21.045 -18.288 -21.544 1.00 71.04 N ATOM 1512 CA LYS A 101 20.458 -17.003 -21.184 1.00 40.23 C ATOM 1513 C LYS A 101 20.187 -16.161 -22.427 1.00 75.32 C ATOM 1514 O LYS A 101 20.731 -16.427 -23.499 1.00 61.31 O ATOM 1515 CB LYS A 101 21.386 -16.243 -20.234 1.00 25.20 C ATOM 1516 CG LYS A 101 21.237 -16.655 -18.780 1.00 11.45 C ATOM 1517 CD LYS A 101 22.377 -16.121 -17.929 1.00 2.31 C ATOM 1518 CE LYS A 101 21.868 -15.525 -16.625 1.00 44.12 C ATOM 1519 NZ LYS A 101 20.935 -14.389 -16.861 1.00 73.24 N ATOM 0 H LYS A 101 21.902 -18.516 -21.040 1.00 71.04 H new ATOM 0 HA LYS A 101 19.510 -17.194 -20.681 1.00 40.23 H new ATOM 0 HB2 LYS A 101 22.419 -16.402 -20.544 1.00 25.20 H new ATOM 0 HB3 LYS A 101 21.187 -15.175 -20.323 1.00 25.20 H new ATOM 0 HG2 LYS A 101 20.288 -16.285 -18.392 1.00 11.45 H new ATOM 0 HG3 LYS A 101 21.208 -17.742 -18.710 1.00 11.45 H new ATOM 0 HD2 LYS A 101 23.079 -16.926 -17.713 1.00 2.31 H new ATOM 0 HD3 LYS A 101 22.925 -15.362 -18.488 1.00 2.31 H new ATOM 0 HE2 LYS A 101 21.361 -16.297 -16.046 1.00 44.12 H new ATOM 0 HE3 LYS A 101 22.713 -15.183 -16.028 1.00 44.12 H new ATOM 0 HZ1 LYS A 101 21.016 -13.706 -16.081 1.00 73.24 H new ATOM 0 HZ2 LYS A 101 21.177 -13.921 -17.758 1.00 73.24 H new ATOM 0 HZ3 LYS A 101 19.959 -14.745 -16.909 1.00 73.24 H new ATOM 1533 N ILE A 102 19.343 -15.146 -22.276 1.00 4.52 N ATOM 1534 CA ILE A 102 19.003 -14.264 -23.386 1.00 34.42 C ATOM 1535 C ILE A 102 18.973 -12.806 -22.941 1.00 63.10 C ATOM 1536 O ILE A 102 18.526 -12.490 -21.838 1.00 24.12 O ATOM 1537 CB ILE A 102 17.637 -14.631 -23.996 1.00 50.35 C ATOM 1538 CG1 ILE A 102 16.515 -14.355 -22.993 1.00 71.15 C ATOM 1539 CG2 ILE A 102 17.624 -16.090 -24.427 1.00 15.21 C ATOM 1540 CD1 ILE A 102 15.136 -14.677 -23.526 1.00 1.02 C ATOM 0 H ILE A 102 18.882 -14.914 -21.396 1.00 4.52 H new ATOM 0 HA ILE A 102 19.777 -14.394 -24.142 1.00 34.42 H new ATOM 0 HB ILE A 102 17.471 -14.011 -24.877 1.00 50.35 H new ATOM 0 HG12 ILE A 102 16.693 -14.940 -22.091 1.00 71.15 H new ATOM 0 HG13 ILE A 102 16.548 -13.305 -22.703 1.00 71.15 H new ATOM 0 HG21 ILE A 102 16.652 -16.334 -24.856 1.00 15.21 H new ATOM 0 HG22 ILE A 102 18.402 -16.256 -25.172 1.00 15.21 H new ATOM 0 HG23 ILE A 102 17.809 -16.727 -23.562 1.00 15.21 H new ATOM 0 HD11 ILE A 102 14.390 -14.457 -22.762 1.00 1.02 H new ATOM 0 HD12 ILE A 102 14.938 -14.073 -24.411 1.00 1.02 H new ATOM 0 HD13 ILE A 102 15.085 -15.734 -23.789 1.00 1.02 H new ATOM 1552 N THR A 103 19.451 -11.919 -23.808 1.00 43.21 N ATOM 1553 CA THR A 103 19.481 -10.494 -23.505 1.00 53.53 C ATOM 1554 C THR A 103 19.065 -9.666 -24.716 1.00 2.40 C ATOM 1555 O THR A 103 19.214 -10.100 -25.859 1.00 21.14 O ATOM 1556 CB THR A 103 20.881 -10.045 -23.047 1.00 64.23 C ATOM 1557 OG1 THR A 103 21.883 -10.636 -23.884 1.00 14.35 O ATOM 1558 CG2 THR A 103 21.128 -10.437 -21.598 1.00 60.22 C ATOM 0 H THR A 103 19.823 -12.163 -24.726 1.00 43.21 H new ATOM 0 HA THR A 103 18.772 -10.329 -22.694 1.00 53.53 H new ATOM 0 HB THR A 103 20.935 -8.959 -23.127 1.00 64.23 H new ATOM 0 HG1 THR A 103 22.770 -10.344 -23.588 1.00 14.35 H new ATOM 0 HG21 THR A 103 22.123 -10.109 -21.297 1.00 60.22 H new ATOM 0 HG22 THR A 103 20.382 -9.963 -20.961 1.00 60.22 H new ATOM 0 HG23 THR A 103 21.056 -11.520 -21.497 1.00 60.22 H new ATOM 1566 N HIS A 104 18.544 -8.470 -24.459 1.00 20.11 N ATOM 1567 CA HIS A 104 18.107 -7.580 -25.529 1.00 64.31 C ATOM 1568 C HIS A 104 18.393 -6.124 -25.175 1.00 41.13 C ATOM 1569 O HIS A 104 18.303 -5.728 -24.013 1.00 11.42 O ATOM 1570 CB HIS A 104 16.614 -7.768 -25.800 1.00 23.13 C ATOM 1571 CG HIS A 104 16.087 -6.884 -26.888 1.00 20.13 C ATOM 1572 ND1 HIS A 104 16.314 -7.122 -28.227 1.00 34.11 N ATOM 1573 CD2 HIS A 104 15.338 -5.758 -26.829 1.00 22.14 C ATOM 1574 CE1 HIS A 104 15.729 -6.180 -28.944 1.00 55.34 C ATOM 1575 NE2 HIS A 104 15.129 -5.340 -28.120 1.00 3.22 N ATOM 0 H HIS A 104 18.414 -8.095 -23.519 1.00 20.11 H new ATOM 0 HA HIS A 104 18.666 -7.833 -26.430 1.00 64.31 H new ATOM 0 HB2 HIS A 104 16.430 -8.809 -26.067 1.00 23.13 H new ATOM 0 HB3 HIS A 104 16.059 -7.572 -24.883 1.00 23.13 H new ATOM 0 HD2 HIS A 104 14.973 -5.278 -25.933 1.00 22.14 H new ATOM 0 HE1 HIS A 104 15.739 -6.109 -30.022 1.00 55.34 H new ATOM 0 HE2 HIS A 104 14.597 -4.515 -28.398 1.00 3.22 H new ATOM 1583 N HIS A 105 18.739 -5.331 -26.185 1.00 33.40 N ATOM 1584 CA HIS A 105 19.036 -3.918 -25.981 1.00 32.15 C ATOM 1585 C HIS A 105 17.753 -3.094 -25.938 1.00 54.23 C ATOM 1586 O HIS A 105 16.963 -3.109 -26.882 1.00 52.34 O ATOM 1587 CB HIS A 105 19.951 -3.402 -27.091 1.00 41.21 C ATOM 1588 CG HIS A 105 19.408 -3.628 -28.468 1.00 61.24 C ATOM 1589 ND1 HIS A 105 18.613 -2.712 -29.124 1.00 43.31 N ATOM 1590 CD2 HIS A 105 19.551 -4.674 -29.316 1.00 21.14 C ATOM 1591 CE1 HIS A 105 18.289 -3.185 -30.314 1.00 45.12 C ATOM 1592 NE2 HIS A 105 18.846 -4.374 -30.455 1.00 64.24 N ATOM 0 H HIS A 105 18.820 -5.643 -27.153 1.00 33.40 H new ATOM 0 HA HIS A 105 19.546 -3.814 -25.023 1.00 32.15 H new ATOM 0 HB2 HIS A 105 20.118 -2.335 -26.946 1.00 41.21 H new ATOM 0 HB3 HIS A 105 20.922 -3.891 -27.007 1.00 41.21 H new ATOM 0 HD2 HIS A 105 20.115 -5.576 -29.131 1.00 21.14 H new ATOM 0 HE1 HIS A 105 17.673 -2.685 -31.047 1.00 45.12 H new ATOM 0 HE2 HIS A 105 18.765 -4.972 -31.277 1.00 64.24 H new ATOM 1600 N TRP A 106 17.552 -2.377 -24.838 1.00 71.24 N ATOM 1601 CA TRP A 106 16.364 -1.547 -24.673 1.00 71.24 C ATOM 1602 C TRP A 106 16.744 -0.080 -24.508 1.00 53.11 C ATOM 1603 O TRP A 106 17.213 0.334 -23.447 1.00 54.44 O ATOM 1604 CB TRP A 106 15.553 -2.016 -23.464 1.00 72.24 C ATOM 1605 CG TRP A 106 14.409 -1.108 -23.128 1.00 74.34 C ATOM 1606 CD1 TRP A 106 14.108 -0.588 -21.902 1.00 31.10 C ATOM 1607 CD2 TRP A 106 13.412 -0.616 -24.031 1.00 11.24 C ATOM 1608 NE1 TRP A 106 12.984 0.198 -21.987 1.00 43.24 N ATOM 1609 CE2 TRP A 106 12.539 0.198 -23.283 1.00 12.33 C ATOM 1610 CE3 TRP A 106 13.173 -0.781 -25.397 1.00 62.35 C ATOM 1611 CZ2 TRP A 106 11.446 0.842 -23.858 1.00 3.14 C ATOM 1612 CZ3 TRP A 106 12.088 -0.142 -25.966 1.00 43.14 C ATOM 1613 CH2 TRP A 106 11.236 0.662 -25.198 1.00 3.22 C ATOM 0 H TRP A 106 18.196 -2.354 -24.047 1.00 71.24 H new ATOM 0 HA TRP A 106 15.754 -1.646 -25.571 1.00 71.24 H new ATOM 0 HB2 TRP A 106 15.168 -3.017 -23.660 1.00 72.24 H new ATOM 0 HB3 TRP A 106 16.213 -2.092 -22.600 1.00 72.24 H new ATOM 0 HD1 TRP A 106 14.671 -0.768 -20.998 1.00 31.10 H new ATOM 0 HE1 TRP A 106 12.551 0.700 -21.212 1.00 43.24 H new ATOM 0 HE3 TRP A 106 13.825 -1.397 -25.998 1.00 62.35 H new ATOM 0 HZ2 TRP A 106 10.788 1.461 -23.267 1.00 3.14 H new ATOM 0 HZ3 TRP A 106 11.893 -0.265 -27.021 1.00 43.14 H new ATOM 0 HH2 TRP A 106 10.397 1.149 -25.673 1.00 3.22 H new ATOM 1624 N HIS A 107 16.538 0.703 -25.563 1.00 24.32 N ATOM 1625 CA HIS A 107 16.858 2.126 -25.533 1.00 30.41 C ATOM 1626 C HIS A 107 15.592 2.969 -25.646 1.00 52.23 C ATOM 1627 O HIS A 107 14.705 2.671 -26.446 1.00 61.44 O ATOM 1628 CB HIS A 107 17.822 2.477 -26.666 1.00 4.20 C ATOM 1629 CG HIS A 107 17.297 2.138 -28.027 1.00 32.02 C ATOM 1630 ND1 HIS A 107 16.643 3.049 -28.830 1.00 23.23 N ATOM 1631 CD2 HIS A 107 17.333 0.980 -28.726 1.00 73.33 C ATOM 1632 CE1 HIS A 107 16.298 2.465 -29.964 1.00 4.05 C ATOM 1633 NE2 HIS A 107 16.706 1.209 -29.926 1.00 54.13 N ATOM 0 H HIS A 107 16.151 0.376 -26.448 1.00 24.32 H new ATOM 0 HA HIS A 107 17.336 2.346 -24.579 1.00 30.41 H new ATOM 0 HB2 HIS A 107 18.043 3.544 -26.626 1.00 4.20 H new ATOM 0 HB3 HIS A 107 18.763 1.950 -26.507 1.00 4.20 H new ATOM 0 HD2 HIS A 107 17.773 0.049 -28.401 1.00 73.33 H new ATOM 0 HE1 HIS A 107 15.772 2.934 -30.782 1.00 4.05 H new ATOM 0 HE2 HIS A 107 16.576 0.521 -30.668 1.00 54.13 H new ATOM 1641 N ARG A 108 15.515 4.023 -24.840 1.00 75.02 N ATOM 1642 CA ARG A 108 14.356 4.908 -24.849 1.00 0.12 C ATOM 1643 C ARG A 108 14.541 6.035 -25.861 1.00 15.34 C ATOM 1644 O ARG A 108 15.635 6.579 -26.007 1.00 23.33 O ATOM 1645 CB ARG A 108 14.124 5.493 -23.454 1.00 61.04 C ATOM 1646 CG ARG A 108 13.178 4.667 -22.597 1.00 45.52 C ATOM 1647 CD ARG A 108 11.730 4.867 -23.015 1.00 60.23 C ATOM 1648 NE ARG A 108 10.825 4.874 -21.869 1.00 24.52 N ATOM 1649 CZ ARG A 108 10.766 5.864 -20.985 1.00 61.33 C ATOM 1650 NH1 ARG A 108 11.554 6.922 -21.116 1.00 63.34 N ATOM 1651 NH2 ARG A 108 9.916 5.797 -19.968 1.00 64.02 N ATOM 0 H ARG A 108 16.241 4.285 -24.173 1.00 75.02 H new ATOM 0 HA ARG A 108 13.484 4.322 -25.139 1.00 0.12 H new ATOM 0 HB2 ARG A 108 15.082 5.580 -22.942 1.00 61.04 H new ATOM 0 HB3 ARG A 108 13.723 6.502 -23.554 1.00 61.04 H new ATOM 0 HG2 ARG A 108 13.439 3.612 -22.678 1.00 45.52 H new ATOM 0 HG3 ARG A 108 13.297 4.945 -21.550 1.00 45.52 H new ATOM 0 HD2 ARG A 108 11.636 5.808 -23.557 1.00 60.23 H new ATOM 0 HD3 ARG A 108 11.438 4.073 -23.702 1.00 60.23 H new ATOM 0 HE ARG A 108 10.204 4.075 -21.740 1.00 24.52 H new ATOM 0 HH11 ARG A 108 12.208 6.977 -21.897 1.00 63.34 H new ATOM 0 HH12 ARG A 108 11.507 7.681 -20.436 1.00 63.34 H new ATOM 0 HH21 ARG A 108 9.307 4.985 -19.865 1.00 64.02 H new ATOM 0 HH22 ARG A 108 9.871 6.557 -19.290 1.00 64.02 H new