USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 790 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 89 THR OG1 : rot 180:sc= -0.173 USER MOD Set 1.2: A 102 ASN : amide:sc= -0.0886 K(o=-0.26,f=2.2) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 26 LYS NZ :NH3+ 167:sc= 0.615 (180deg=-0.107) USER MOD Set 3.2: A 108 THR OG1 : rot -100:sc= 0.919 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 158:sc=-0.00423 (180deg=-0.859) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 152:sc= -0.47! (180deg=-3.43!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 24 SER OG : rot 46:sc= 0.35 USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= -0.0128 (180deg=-0.115) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc=-0.00444 (180deg=-0.135) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= -1.02 (180deg=-3.27!) USER MOD Single : A 52 ASN : amide:sc= -1.45! C(o=-1.5!,f=-2.1!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 55 MET CE :methyl -151:sc= -0.302 (180deg=-1.09) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.792 K(o=-0.79,f=-2.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.321 X(o=-0.32,f=-0.0015) USER MOD Single : A 70 THR OG1 : rot -35:sc= 0.496 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.853 K(o=-0.85,f=-0.095) USER MOD Single : A 82 LYS NZ :NH3+ 169:sc= 0.93 (180deg=0.525) USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.0433 (180deg=-0.233) USER MOD Single : A 88 TYR OH : rot -42:sc= 0.0198 USER MOD Single : A 94 ASN : amide:sc= -3.5! C(o=-3.5!,f=-14!) USER MOD Single : A 99 THR OG1 : rot -112:sc= 1.33 USER MOD Single : A 101 CYS SG : rot 180:sc=-0.00831 USER MOD Single : A 103 THR OG1 : rot -90:sc= -1.6! USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 16.258 -16.725 6.788 1.00 65.23 N ATOM 198 CA LYS A 13 15.585 -16.087 5.648 1.00 75.15 C ATOM 199 C LYS A 13 14.159 -16.623 5.443 1.00 34.13 C ATOM 200 O LYS A 13 13.951 -17.818 5.229 1.00 55.10 O ATOM 201 CB LYS A 13 16.446 -16.247 4.386 1.00 32.11 C ATOM 202 CG LYS A 13 17.766 -15.481 4.482 1.00 41.52 C ATOM 203 CD LYS A 13 18.678 -15.702 3.278 1.00 71.14 C ATOM 204 CE LYS A 13 19.191 -17.136 3.194 1.00 13.34 C ATOM 205 NZ LYS A 13 20.288 -17.273 2.197 1.00 43.41 N ATOM 0 HA LYS A 13 15.476 -15.024 5.863 1.00 75.15 H new ATOM 0 HB2 LYS A 13 16.653 -17.304 4.222 1.00 32.11 H new ATOM 0 HB3 LYS A 13 15.886 -15.894 3.520 1.00 32.11 H new ATOM 0 HG2 LYS A 13 17.555 -14.416 4.579 1.00 41.52 H new ATOM 0 HG3 LYS A 13 18.290 -15.786 5.388 1.00 41.52 H new ATOM 0 HD2 LYS A 13 18.135 -15.459 2.365 1.00 71.14 H new ATOM 0 HD3 LYS A 13 19.525 -15.019 3.337 1.00 71.14 H new ATOM 0 HE2 LYS A 13 19.549 -17.452 4.174 1.00 13.34 H new ATOM 0 HE3 LYS A 13 18.370 -17.801 2.925 1.00 13.34 H new ATOM 0 HZ1 LYS A 13 20.610 -18.261 2.169 1.00 43.41 H new ATOM 0 HZ2 LYS A 13 19.940 -16.995 1.257 1.00 43.41 H new ATOM 0 HZ3 LYS A 13 21.082 -16.658 2.467 1.00 43.41 H new ATOM 219 N ARG A 14 13.181 -15.718 5.500 1.00 72.41 N ATOM 220 CA ARG A 14 11.762 -16.073 5.376 1.00 72.14 C ATOM 221 C ARG A 14 11.084 -15.257 4.262 1.00 75.44 C ATOM 222 O ARG A 14 11.071 -14.024 4.301 1.00 22.01 O ATOM 223 CB ARG A 14 11.044 -15.836 6.719 1.00 60.52 C ATOM 224 CG ARG A 14 9.543 -16.151 6.714 1.00 61.41 C ATOM 225 CD ARG A 14 9.249 -17.582 6.260 1.00 31.22 C ATOM 226 NE ARG A 14 7.889 -18.011 6.605 1.00 1.10 N ATOM 227 CZ ARG A 14 6.810 -17.710 5.926 1.00 70.23 C ATOM 228 NH1 ARG A 14 6.859 -16.923 4.899 1.00 54.13 N ATOM 229 NH2 ARG A 14 5.666 -18.191 6.295 1.00 21.52 N ATOM 0 H ARG A 14 13.347 -14.720 5.633 1.00 72.41 H new ATOM 0 HA ARG A 14 11.694 -17.128 5.112 1.00 72.14 H new ATOM 0 HB2 ARG A 14 11.526 -16.445 7.484 1.00 60.52 H new ATOM 0 HB3 ARG A 14 11.181 -14.794 7.008 1.00 60.52 H new ATOM 0 HG2 ARG A 14 9.140 -16.000 7.715 1.00 61.41 H new ATOM 0 HG3 ARG A 14 9.030 -15.451 6.055 1.00 61.41 H new ATOM 0 HD2 ARG A 14 9.387 -17.653 5.181 1.00 31.22 H new ATOM 0 HD3 ARG A 14 9.968 -18.261 6.719 1.00 31.22 H new ATOM 0 HE ARG A 14 7.775 -18.588 7.438 1.00 1.10 H new ATOM 0 HH11 ARG A 14 7.750 -16.524 4.604 1.00 54.13 H new ATOM 0 HH12 ARG A 14 6.006 -16.702 4.385 1.00 54.13 H new ATOM 0 HH21 ARG A 14 5.608 -18.801 7.111 1.00 21.52 H new ATOM 0 HH22 ARG A 14 4.822 -17.960 5.770 1.00 21.52 H new ATOM 243 N ALA A 15 10.524 -15.956 3.274 1.00 4.14 N ATOM 244 CA ALA A 15 9.795 -15.307 2.177 1.00 13.33 C ATOM 245 C ALA A 15 8.578 -14.520 2.700 1.00 42.53 C ATOM 246 O ALA A 15 7.880 -14.981 3.603 1.00 22.33 O ATOM 247 CB ALA A 15 9.356 -16.349 1.151 1.00 52.05 C ATOM 0 H ALA A 15 10.560 -16.973 3.209 1.00 4.14 H new ATOM 0 HA ALA A 15 10.468 -14.596 1.697 1.00 13.33 H new ATOM 0 HB1 ALA A 15 8.816 -15.858 0.342 1.00 52.05 H new ATOM 0 HB2 ALA A 15 10.233 -16.855 0.748 1.00 52.05 H new ATOM 0 HB3 ALA A 15 8.705 -17.080 1.630 1.00 52.05 H new ATOM 253 N PRO A 16 8.307 -13.328 2.134 1.00 14.11 N ATOM 254 CA PRO A 16 7.225 -12.445 2.611 1.00 64.32 C ATOM 255 C PRO A 16 5.816 -13.058 2.481 1.00 51.54 C ATOM 256 O PRO A 16 5.473 -13.662 1.462 1.00 12.43 O ATOM 257 CB PRO A 16 7.364 -11.199 1.721 1.00 44.23 C ATOM 258 CG PRO A 16 8.089 -11.674 0.504 1.00 32.34 C ATOM 259 CD PRO A 16 9.026 -12.745 0.985 1.00 73.23 C ATOM 0 HA PRO A 16 7.322 -12.244 3.678 1.00 64.32 H new ATOM 0 HB2 PRO A 16 6.388 -10.787 1.464 1.00 44.23 H new ATOM 0 HB3 PRO A 16 7.919 -10.411 2.229 1.00 44.23 H new ATOM 0 HG2 PRO A 16 7.394 -12.066 -0.239 1.00 32.34 H new ATOM 0 HG3 PRO A 16 8.636 -10.859 0.030 1.00 32.34 H new ATOM 0 HD2 PRO A 16 9.220 -13.488 0.212 1.00 73.23 H new ATOM 0 HD3 PRO A 16 9.991 -12.333 1.280 1.00 73.23 H new ATOM 267 N MET A 17 5.006 -12.888 3.525 1.00 30.53 N ATOM 268 CA MET A 17 3.631 -13.399 3.548 1.00 42.12 C ATOM 269 C MET A 17 2.650 -12.363 4.127 1.00 21.53 C ATOM 270 O MET A 17 2.865 -11.840 5.222 1.00 43.34 O ATOM 271 CB MET A 17 3.571 -14.702 4.363 1.00 54.32 C ATOM 272 CG MET A 17 2.160 -15.131 4.749 1.00 63.43 C ATOM 273 SD MET A 17 1.045 -15.229 3.336 1.00 13.11 S ATOM 274 CE MET A 17 -0.478 -15.692 4.160 1.00 32.44 C ATOM 0 H MET A 17 5.280 -12.396 4.375 1.00 30.53 H new ATOM 0 HA MET A 17 3.329 -13.600 2.520 1.00 42.12 H new ATOM 0 HB2 MET A 17 4.037 -15.501 3.786 1.00 54.32 H new ATOM 0 HB3 MET A 17 4.162 -14.578 5.270 1.00 54.32 H new ATOM 0 HG2 MET A 17 2.203 -16.103 5.240 1.00 63.43 H new ATOM 0 HG3 MET A 17 1.757 -14.425 5.475 1.00 63.43 H new ATOM 0 HE1 MET A 17 -1.328 -15.422 3.533 1.00 32.44 H new ATOM 0 HE2 MET A 17 -0.484 -16.768 4.336 1.00 32.44 H new ATOM 0 HE3 MET A 17 -0.550 -15.168 5.113 1.00 32.44 H new ATOM 284 N PHE A 18 1.579 -12.070 3.386 1.00 3.05 N ATOM 285 CA PHE A 18 0.520 -11.177 3.872 1.00 74.31 C ATOM 286 C PHE A 18 -0.359 -11.879 4.920 1.00 52.30 C ATOM 287 O PHE A 18 -1.190 -12.722 4.580 1.00 11.50 O ATOM 288 CB PHE A 18 -0.371 -10.701 2.712 1.00 23.31 C ATOM 289 CG PHE A 18 0.302 -9.757 1.745 1.00 41.43 C ATOM 290 CD1 PHE A 18 0.343 -8.395 2.003 1.00 50.34 C ATOM 291 CD2 PHE A 18 0.877 -10.229 0.574 1.00 40.54 C ATOM 292 CE1 PHE A 18 0.946 -7.524 1.114 1.00 43.23 C ATOM 293 CE2 PHE A 18 1.482 -9.363 -0.317 1.00 53.50 C ATOM 294 CZ PHE A 18 1.518 -8.009 -0.047 1.00 23.43 C ATOM 0 H PHE A 18 1.420 -12.437 2.448 1.00 3.05 H new ATOM 0 HA PHE A 18 1.009 -10.318 4.331 1.00 74.31 H new ATOM 0 HB2 PHE A 18 -0.723 -11.573 2.161 1.00 23.31 H new ATOM 0 HB3 PHE A 18 -1.251 -10.209 3.126 1.00 23.31 H new ATOM 0 HD1 PHE A 18 -0.101 -8.010 2.909 1.00 50.34 H new ATOM 0 HD2 PHE A 18 0.852 -11.286 0.356 1.00 40.54 H new ATOM 0 HE1 PHE A 18 0.970 -6.465 1.327 1.00 43.23 H new ATOM 0 HE2 PHE A 18 1.927 -9.745 -1.224 1.00 53.50 H new ATOM 0 HZ PHE A 18 1.992 -7.331 -0.741 1.00 23.43 H new ATOM 304 N ILE A 19 -0.174 -11.525 6.188 1.00 55.24 N ATOM 305 CA ILE A 19 -0.981 -12.089 7.276 1.00 3.32 C ATOM 306 C ILE A 19 -2.409 -11.521 7.241 1.00 62.03 C ATOM 307 O ILE A 19 -3.380 -12.205 7.568 1.00 0.35 O ATOM 308 CB ILE A 19 -0.344 -11.784 8.656 1.00 3.34 C ATOM 309 CG1 ILE A 19 1.150 -12.153 8.649 1.00 43.14 C ATOM 310 CG2 ILE A 19 -1.079 -12.538 9.765 1.00 21.32 C ATOM 311 CD1 ILE A 19 1.873 -11.824 9.940 1.00 13.31 C ATOM 0 H ILE A 19 0.527 -10.850 6.492 1.00 55.24 H new ATOM 0 HA ILE A 19 -1.017 -13.169 7.133 1.00 3.32 H new ATOM 0 HB ILE A 19 -0.435 -10.715 8.851 1.00 3.34 H new ATOM 0 HG12 ILE A 19 1.249 -13.220 8.451 1.00 43.14 H new ATOM 0 HG13 ILE A 19 1.639 -11.630 7.827 1.00 43.14 H new ATOM 0 HG21 ILE A 19 -0.618 -12.312 10.726 1.00 21.32 H new ATOM 0 HG22 ILE A 19 -2.125 -12.231 9.783 1.00 21.32 H new ATOM 0 HG23 ILE A 19 -1.019 -13.610 9.577 1.00 21.32 H new ATOM 0 HD11 ILE A 19 2.920 -12.114 9.855 1.00 13.31 H new ATOM 0 HD12 ILE A 19 1.808 -10.753 10.131 1.00 13.31 H new ATOM 0 HD13 ILE A 19 1.412 -12.368 10.764 1.00 13.31 H new ATOM 323 N TYR A 20 -2.515 -10.254 6.844 1.00 45.40 N ATOM 324 CA TYR A 20 -3.808 -9.581 6.684 1.00 50.32 C ATOM 325 C TYR A 20 -3.829 -8.771 5.381 1.00 24.33 C ATOM 326 O TYR A 20 -2.868 -8.062 5.073 1.00 12.32 O ATOM 327 CB TYR A 20 -4.086 -8.629 7.860 1.00 43.31 C ATOM 328 CG TYR A 20 -4.046 -9.279 9.230 1.00 11.02 C ATOM 329 CD1 TYR A 20 -5.139 -9.984 9.727 1.00 22.13 C ATOM 330 CD2 TYR A 20 -2.918 -9.169 10.034 1.00 63.15 C ATOM 331 CE1 TYR A 20 -5.106 -10.559 10.985 1.00 4.24 C ATOM 332 CE2 TYR A 20 -2.877 -9.745 11.287 1.00 24.12 C ATOM 333 CZ TYR A 20 -3.970 -10.436 11.759 1.00 25.45 C ATOM 334 OH TYR A 20 -3.930 -10.996 13.017 1.00 72.24 O ATOM 0 H TYR A 20 -1.712 -9.665 6.624 1.00 45.40 H new ATOM 0 HA TYR A 20 -4.578 -10.352 6.657 1.00 50.32 H new ATOM 0 HB2 TYR A 20 -3.355 -7.821 7.835 1.00 43.31 H new ATOM 0 HB3 TYR A 20 -5.067 -8.175 7.717 1.00 43.31 H new ATOM 0 HD1 TYR A 20 -6.027 -10.084 9.121 1.00 22.13 H new ATOM 0 HD2 TYR A 20 -2.059 -8.624 9.672 1.00 63.15 H new ATOM 0 HE1 TYR A 20 -5.963 -11.100 11.359 1.00 4.24 H new ATOM 0 HE2 TYR A 20 -1.990 -9.654 11.896 1.00 24.12 H new ATOM 0 HH TYR A 20 -3.058 -10.818 13.427 1.00 72.24 H new ATOM 344 N LYS A 21 -4.909 -8.884 4.617 1.00 61.23 N ATOM 345 CA LYS A 21 -5.091 -8.058 3.415 1.00 33.34 C ATOM 346 C LYS A 21 -5.584 -6.647 3.779 1.00 53.12 C ATOM 347 O LYS A 21 -6.293 -6.464 4.775 1.00 45.02 O ATOM 348 CB LYS A 21 -6.101 -8.705 2.451 1.00 55.23 C ATOM 349 CG LYS A 21 -7.483 -8.931 3.068 1.00 35.31 C ATOM 350 CD LYS A 21 -8.551 -9.261 2.021 1.00 2.04 C ATOM 351 CE LYS A 21 -9.090 -8.011 1.312 1.00 31.41 C ATOM 352 NZ LYS A 21 -8.072 -7.349 0.451 1.00 53.23 N ATOM 0 H LYS A 21 -5.673 -9.535 4.802 1.00 61.23 H new ATOM 0 HA LYS A 21 -4.119 -7.984 2.927 1.00 33.34 H new ATOM 0 HB2 LYS A 21 -6.205 -8.072 1.570 1.00 55.23 H new ATOM 0 HB3 LYS A 21 -5.704 -9.661 2.111 1.00 55.23 H new ATOM 0 HG2 LYS A 21 -7.425 -9.745 3.791 1.00 35.31 H new ATOM 0 HG3 LYS A 21 -7.782 -8.038 3.617 1.00 35.31 H new ATOM 0 HD2 LYS A 21 -8.130 -9.941 1.280 1.00 2.04 H new ATOM 0 HD3 LYS A 21 -9.377 -9.785 2.502 1.00 2.04 H new ATOM 0 HE2 LYS A 21 -9.950 -8.288 0.702 1.00 31.41 H new ATOM 0 HE3 LYS A 21 -9.444 -7.300 2.059 1.00 31.41 H new ATOM 0 HZ1 LYS A 21 -8.547 -6.851 -0.329 1.00 53.23 H new ATOM 0 HZ2 LYS A 21 -7.529 -6.666 1.018 1.00 53.23 H new ATOM 0 HZ3 LYS A 21 -7.427 -8.066 0.062 1.00 53.23 H new ATOM 366 N PRO A 22 -5.228 -5.626 2.974 1.00 1.23 N ATOM 367 CA PRO A 22 -5.795 -4.287 3.128 1.00 70.55 C ATOM 368 C PRO A 22 -7.249 -4.253 2.640 1.00 34.34 C ATOM 369 O PRO A 22 -7.644 -5.054 1.787 1.00 34.22 O ATOM 370 CB PRO A 22 -4.902 -3.384 2.257 1.00 11.03 C ATOM 371 CG PRO A 22 -3.829 -4.265 1.688 1.00 62.32 C ATOM 372 CD PRO A 22 -4.271 -5.694 1.864 1.00 41.35 C ATOM 0 HA PRO A 22 -5.816 -3.964 4.169 1.00 70.55 H new ATOM 0 HB2 PRO A 22 -5.482 -2.917 1.461 1.00 11.03 H new ATOM 0 HB3 PRO A 22 -4.468 -2.579 2.851 1.00 11.03 H new ATOM 0 HG2 PRO A 22 -3.669 -4.041 0.633 1.00 62.32 H new ATOM 0 HG3 PRO A 22 -2.881 -4.092 2.198 1.00 62.32 H new ATOM 0 HD2 PRO A 22 -4.735 -6.084 0.958 1.00 41.35 H new ATOM 0 HD3 PRO A 22 -3.431 -6.347 2.099 1.00 41.35 H new ATOM 380 N GLN A 23 -8.047 -3.336 3.177 1.00 73.12 N ATOM 381 CA GLN A 23 -9.479 -3.295 2.866 1.00 24.13 C ATOM 382 C GLN A 23 -9.827 -2.123 1.938 1.00 0.10 C ATOM 383 O GLN A 23 -9.343 -1.004 2.122 1.00 65.34 O ATOM 384 CB GLN A 23 -10.290 -3.210 4.169 1.00 63.11 C ATOM 385 CG GLN A 23 -9.939 -4.308 5.172 1.00 40.31 C ATOM 386 CD GLN A 23 -10.744 -4.225 6.459 1.00 10.44 C ATOM 387 OE1 GLN A 23 -11.886 -3.778 6.466 1.00 41.30 O ATOM 388 NE2 GLN A 23 -10.155 -4.653 7.557 1.00 2.45 N ATOM 0 H GLN A 23 -7.733 -2.614 3.826 1.00 73.12 H new ATOM 0 HA GLN A 23 -9.737 -4.213 2.338 1.00 24.13 H new ATOM 0 HB2 GLN A 23 -10.121 -2.238 4.631 1.00 63.11 H new ATOM 0 HB3 GLN A 23 -11.352 -3.270 3.932 1.00 63.11 H new ATOM 0 HG2 GLN A 23 -10.106 -5.281 4.709 1.00 40.31 H new ATOM 0 HG3 GLN A 23 -8.877 -4.247 5.411 1.00 40.31 H new ATOM 0 HE21 GLN A 23 -9.204 -5.019 7.516 1.00 2.45 H new ATOM 0 HE22 GLN A 23 -10.650 -4.618 8.448 1.00 2.45 H new ATOM 397 N SER A 24 -10.672 -2.389 0.941 1.00 62.15 N ATOM 398 CA SER A 24 -11.081 -1.364 -0.030 1.00 23.32 C ATOM 399 C SER A 24 -12.133 -0.414 0.560 1.00 22.22 C ATOM 400 O SER A 24 -13.268 -0.812 0.830 1.00 62.42 O ATOM 401 CB SER A 24 -11.624 -2.016 -1.315 1.00 60.02 C ATOM 402 OG SER A 24 -12.736 -2.866 -1.054 1.00 21.12 O ATOM 0 H SER A 24 -11.089 -3.306 0.782 1.00 62.15 H new ATOM 0 HA SER A 24 -10.195 -0.778 -0.275 1.00 23.32 H new ATOM 0 HB2 SER A 24 -11.920 -1.238 -2.019 1.00 60.02 H new ATOM 0 HB3 SER A 24 -10.831 -2.593 -1.792 1.00 60.02 H new ATOM 0 HG SER A 24 -13.360 -2.412 -0.450 1.00 21.12 H new ATOM 408 N LYS A 25 -11.748 0.847 0.751 1.00 44.10 N ATOM 409 CA LYS A 25 -12.640 1.863 1.329 1.00 74.21 C ATOM 410 C LYS A 25 -12.934 2.990 0.328 1.00 25.43 C ATOM 411 O LYS A 25 -12.201 3.181 -0.645 1.00 62.40 O ATOM 412 CB LYS A 25 -12.017 2.459 2.603 1.00 2.32 C ATOM 413 CG LYS A 25 -11.835 1.458 3.743 1.00 14.13 C ATOM 414 CD LYS A 25 -13.170 0.923 4.269 1.00 14.01 C ATOM 415 CE LYS A 25 -14.072 2.031 4.815 1.00 75.13 C ATOM 416 NZ LYS A 25 -13.413 2.812 5.897 1.00 43.21 N ATOM 0 H LYS A 25 -10.819 1.195 0.514 1.00 44.10 H new ATOM 0 HA LYS A 25 -13.580 1.370 1.577 1.00 74.21 H new ATOM 0 HB2 LYS A 25 -11.046 2.887 2.353 1.00 2.32 H new ATOM 0 HB3 LYS A 25 -12.646 3.278 2.952 1.00 2.32 H new ATOM 0 HG2 LYS A 25 -11.224 0.625 3.397 1.00 14.13 H new ATOM 0 HG3 LYS A 25 -11.291 1.935 4.558 1.00 14.13 H new ATOM 0 HD2 LYS A 25 -13.689 0.399 3.466 1.00 14.01 H new ATOM 0 HD3 LYS A 25 -12.980 0.193 5.056 1.00 14.01 H new ATOM 0 HE2 LYS A 25 -14.351 2.703 4.003 1.00 75.13 H new ATOM 0 HE3 LYS A 25 -14.994 1.592 5.196 1.00 75.13 H new ATOM 0 HZ1 LYS A 25 -14.104 3.459 6.328 1.00 43.21 H new ATOM 0 HZ2 LYS A 25 -13.048 2.162 6.622 1.00 43.21 H new ATOM 0 HZ3 LYS A 25 -12.626 3.362 5.498 1.00 43.21 H new ATOM 430 N LYS A 26 -14.013 3.735 0.574 1.00 32.11 N ATOM 431 CA LYS A 26 -14.381 4.874 -0.277 1.00 10.22 C ATOM 432 C LYS A 26 -14.463 6.179 0.537 1.00 23.21 C ATOM 433 O LYS A 26 -15.214 6.276 1.510 1.00 3.33 O ATOM 434 CB LYS A 26 -15.715 4.599 -0.996 1.00 0.44 C ATOM 435 CG LYS A 26 -16.892 4.340 -0.058 1.00 1.20 C ATOM 436 CD LYS A 26 -18.176 4.024 -0.821 1.00 53.50 C ATOM 437 CE LYS A 26 -18.576 5.155 -1.764 1.00 55.04 C ATOM 438 NZ LYS A 26 -18.789 6.438 -1.044 1.00 45.32 N ATOM 0 H LYS A 26 -14.649 3.572 1.355 1.00 32.11 H new ATOM 0 HA LYS A 26 -13.599 4.999 -1.026 1.00 10.22 H new ATOM 0 HB2 LYS A 26 -15.954 5.451 -1.633 1.00 0.44 H new ATOM 0 HB3 LYS A 26 -15.591 3.736 -1.651 1.00 0.44 H new ATOM 0 HG2 LYS A 26 -16.651 3.509 0.605 1.00 1.20 H new ATOM 0 HG3 LYS A 26 -17.052 5.215 0.573 1.00 1.20 H new ATOM 0 HD2 LYS A 26 -18.041 3.106 -1.393 1.00 53.50 H new ATOM 0 HD3 LYS A 26 -18.983 3.841 -0.112 1.00 53.50 H new ATOM 0 HE2 LYS A 26 -17.801 5.288 -2.518 1.00 55.04 H new ATOM 0 HE3 LYS A 26 -19.490 4.880 -2.291 1.00 55.04 H new ATOM 0 HZ1 LYS A 26 -18.841 7.217 -1.731 1.00 45.32 H new ATOM 0 HZ2 LYS A 26 -19.678 6.391 -0.506 1.00 45.32 H new ATOM 0 HZ3 LYS A 26 -17.997 6.605 -0.390 1.00 45.32 H new ATOM 452 N VAL A 27 -13.677 7.175 0.137 1.00 10.25 N ATOM 453 CA VAL A 27 -13.652 8.483 0.815 1.00 52.24 C ATOM 454 C VAL A 27 -14.238 9.584 -0.084 1.00 14.53 C ATOM 455 O VAL A 27 -14.659 9.311 -1.204 1.00 3.34 O ATOM 456 CB VAL A 27 -12.211 8.871 1.234 1.00 22.12 C ATOM 457 CG1 VAL A 27 -11.633 7.840 2.204 1.00 51.11 C ATOM 458 CG2 VAL A 27 -11.309 9.036 0.007 1.00 13.40 C ATOM 0 H VAL A 27 -13.042 7.107 -0.658 1.00 10.25 H new ATOM 0 HA VAL A 27 -14.267 8.392 1.711 1.00 52.24 H new ATOM 0 HB VAL A 27 -12.255 9.831 1.748 1.00 22.12 H new ATOM 0 HG11 VAL A 27 -10.621 8.132 2.485 1.00 51.11 H new ATOM 0 HG12 VAL A 27 -12.257 7.790 3.096 1.00 51.11 H new ATOM 0 HG13 VAL A 27 -11.608 6.862 1.723 1.00 51.11 H new ATOM 0 HG21 VAL A 27 -10.304 9.308 0.328 1.00 13.40 H new ATOM 0 HG22 VAL A 27 -11.271 8.097 -0.546 1.00 13.40 H new ATOM 0 HG23 VAL A 27 -11.709 9.820 -0.636 1.00 13.40 H new ATOM 468 N LEU A 28 -14.305 10.819 0.419 1.00 41.21 N ATOM 469 CA LEU A 28 -14.764 11.962 -0.390 1.00 20.12 C ATOM 470 C LEU A 28 -13.574 12.752 -0.964 1.00 35.32 C ATOM 471 O LEU A 28 -12.439 12.606 -0.504 1.00 51.05 O ATOM 472 CB LEU A 28 -15.656 12.899 0.442 1.00 14.31 C ATOM 473 CG LEU A 28 -17.003 12.314 0.898 1.00 40.32 C ATOM 474 CD1 LEU A 28 -17.752 13.319 1.772 1.00 15.13 C ATOM 475 CD2 LEU A 28 -17.850 11.911 -0.308 1.00 64.14 C ATOM 0 H LEU A 28 -14.050 11.057 1.377 1.00 41.21 H new ATOM 0 HA LEU A 28 -15.347 11.561 -1.219 1.00 20.12 H new ATOM 0 HB2 LEU A 28 -15.099 13.209 1.326 1.00 14.31 H new ATOM 0 HB3 LEU A 28 -15.852 13.797 -0.143 1.00 14.31 H new ATOM 0 HG LEU A 28 -16.808 11.420 1.491 1.00 40.32 H new ATOM 0 HD11 LEU A 28 -18.703 12.890 2.086 1.00 15.13 H new ATOM 0 HD12 LEU A 28 -17.152 13.555 2.651 1.00 15.13 H new ATOM 0 HD13 LEU A 28 -17.936 14.230 1.203 1.00 15.13 H new ATOM 0 HD21 LEU A 28 -18.799 11.499 0.035 1.00 64.14 H new ATOM 0 HD22 LEU A 28 -18.038 12.786 -0.930 1.00 64.14 H new ATOM 0 HD23 LEU A 28 -17.318 11.159 -0.891 1.00 64.14 H new ATOM 487 N GLU A 29 -13.837 13.592 -1.967 1.00 61.21 N ATOM 488 CA GLU A 29 -12.778 14.395 -2.597 1.00 43.03 C ATOM 489 C GLU A 29 -12.188 15.429 -1.617 1.00 3.12 C ATOM 490 O GLU A 29 -12.887 16.328 -1.141 1.00 4.22 O ATOM 491 CB GLU A 29 -13.301 15.102 -3.857 1.00 20.42 C ATOM 492 CG GLU A 29 -13.777 14.146 -4.948 1.00 21.41 C ATOM 493 CD GLU A 29 -14.028 14.845 -6.275 1.00 35.13 C ATOM 494 OE1 GLU A 29 -15.060 15.542 -6.407 1.00 52.43 O ATOM 495 OE2 GLU A 29 -13.193 14.697 -7.195 1.00 30.11 O ATOM 0 H GLU A 29 -14.767 13.736 -2.361 1.00 61.21 H new ATOM 0 HA GLU A 29 -11.982 13.708 -2.884 1.00 43.03 H new ATOM 0 HB2 GLU A 29 -14.125 15.759 -3.578 1.00 20.42 H new ATOM 0 HB3 GLU A 29 -12.511 15.735 -4.261 1.00 20.42 H new ATOM 0 HG2 GLU A 29 -13.031 13.364 -5.090 1.00 21.41 H new ATOM 0 HG3 GLU A 29 -14.694 13.657 -4.621 1.00 21.41 H new ATOM 502 N GLY A 30 -10.893 15.293 -1.332 1.00 2.32 N ATOM 503 CA GLY A 30 -10.222 16.173 -0.382 1.00 33.42 C ATOM 504 C GLY A 30 -9.979 15.507 0.969 1.00 51.23 C ATOM 505 O GLY A 30 -9.298 16.061 1.834 1.00 5.03 O ATOM 0 H GLY A 30 -10.290 14.582 -1.746 1.00 2.32 H new ATOM 0 HA2 GLY A 30 -9.268 16.493 -0.801 1.00 33.42 H new ATOM 0 HA3 GLY A 30 -10.824 17.070 -0.237 1.00 33.42 H new ATOM 509 N ASP A 31 -10.544 14.318 1.152 1.00 31.35 N ATOM 510 CA ASP A 31 -10.378 13.557 2.393 1.00 2.13 C ATOM 511 C ASP A 31 -9.130 12.657 2.343 1.00 52.24 C ATOM 512 O ASP A 31 -8.497 12.505 1.295 1.00 63.41 O ATOM 513 CB ASP A 31 -11.635 12.725 2.661 1.00 53.53 C ATOM 514 CG ASP A 31 -12.846 13.601 2.943 1.00 40.34 C ATOM 515 OD1 ASP A 31 -13.313 14.301 2.022 1.00 52.45 O ATOM 516 OD2 ASP A 31 -13.333 13.604 4.094 1.00 20.52 O ATOM 0 H ASP A 31 -11.125 13.855 0.453 1.00 31.35 H new ATOM 0 HA ASP A 31 -10.234 14.263 3.211 1.00 2.13 H new ATOM 0 HB2 ASP A 31 -11.840 12.089 1.800 1.00 53.53 H new ATOM 0 HB3 ASP A 31 -11.459 12.065 3.510 1.00 53.53 H new ATOM 521 N SER A 32 -8.781 12.064 3.486 1.00 55.31 N ATOM 522 CA SER A 32 -7.568 11.237 3.597 1.00 23.40 C ATOM 523 C SER A 32 -7.894 9.784 3.964 1.00 54.12 C ATOM 524 O SER A 32 -8.994 9.474 4.426 1.00 12.23 O ATOM 525 CB SER A 32 -6.613 11.828 4.644 1.00 72.03 C ATOM 526 OG SER A 32 -7.182 11.800 5.946 1.00 74.43 O ATOM 0 H SER A 32 -9.318 12.138 4.350 1.00 55.31 H new ATOM 0 HA SER A 32 -7.088 11.238 2.618 1.00 23.40 H new ATOM 0 HB2 SER A 32 -5.678 11.267 4.643 1.00 72.03 H new ATOM 0 HB3 SER A 32 -6.368 12.856 4.375 1.00 72.03 H new ATOM 0 HG SER A 32 -6.548 12.182 6.588 1.00 74.43 H new ATOM 532 N VAL A 33 -6.925 8.898 3.749 1.00 15.13 N ATOM 533 CA VAL A 33 -7.073 7.472 4.056 1.00 62.03 C ATOM 534 C VAL A 33 -5.698 6.835 4.326 1.00 62.51 C ATOM 535 O VAL A 33 -4.657 7.433 4.035 1.00 40.32 O ATOM 536 CB VAL A 33 -7.759 6.720 2.879 1.00 50.42 C ATOM 537 CG1 VAL A 33 -6.800 6.580 1.697 1.00 42.21 C ATOM 538 CG2 VAL A 33 -8.291 5.354 3.325 1.00 63.32 C ATOM 0 H VAL A 33 -6.016 9.144 3.358 1.00 15.13 H new ATOM 0 HA VAL A 33 -7.696 7.387 4.946 1.00 62.03 H new ATOM 0 HB VAL A 33 -8.614 7.313 2.554 1.00 50.42 H new ATOM 0 HG11 VAL A 33 -7.299 6.051 0.885 1.00 42.21 H new ATOM 0 HG12 VAL A 33 -6.498 7.570 1.355 1.00 42.21 H new ATOM 0 HG13 VAL A 33 -5.919 6.019 2.008 1.00 42.21 H new ATOM 0 HG21 VAL A 33 -8.764 4.854 2.480 1.00 63.32 H new ATOM 0 HG22 VAL A 33 -7.465 4.744 3.691 1.00 63.32 H new ATOM 0 HG23 VAL A 33 -9.022 5.491 4.122 1.00 63.32 H new ATOM 548 N LYS A 34 -5.692 5.633 4.897 1.00 31.40 N ATOM 549 CA LYS A 34 -4.461 4.853 5.045 1.00 74.52 C ATOM 550 C LYS A 34 -4.733 3.354 4.871 1.00 51.31 C ATOM 551 O LYS A 34 -5.628 2.790 5.504 1.00 72.11 O ATOM 552 CB LYS A 34 -3.779 5.120 6.399 1.00 20.31 C ATOM 553 CG LYS A 34 -4.588 4.704 7.625 1.00 61.31 C ATOM 554 CD LYS A 34 -3.789 4.898 8.912 1.00 43.12 C ATOM 555 CE LYS A 34 -4.601 4.531 10.149 1.00 25.13 C ATOM 556 NZ LYS A 34 -5.774 5.427 10.327 1.00 42.33 N ATOM 0 H LYS A 34 -6.526 5.175 5.266 1.00 31.40 H new ATOM 0 HA LYS A 34 -3.780 5.175 4.257 1.00 74.52 H new ATOM 0 HB2 LYS A 34 -2.824 4.594 6.417 1.00 20.31 H new ATOM 0 HB3 LYS A 34 -3.558 6.185 6.473 1.00 20.31 H new ATOM 0 HG2 LYS A 34 -5.506 5.290 7.673 1.00 61.31 H new ATOM 0 HG3 LYS A 34 -4.882 3.658 7.531 1.00 61.31 H new ATOM 0 HD2 LYS A 34 -2.888 4.286 8.875 1.00 43.12 H new ATOM 0 HD3 LYS A 34 -3.466 5.936 8.985 1.00 43.12 H new ATOM 0 HE2 LYS A 34 -4.942 3.499 10.067 1.00 25.13 H new ATOM 0 HE3 LYS A 34 -3.964 4.587 11.032 1.00 25.13 H new ATOM 0 HZ1 LYS A 34 -6.181 5.282 11.273 1.00 42.33 H new ATOM 0 HZ2 LYS A 34 -5.473 6.417 10.227 1.00 42.33 H new ATOM 0 HZ3 LYS A 34 -6.490 5.209 9.605 1.00 42.33 H new ATOM 570 N LEU A 35 -3.968 2.721 3.990 1.00 41.15 N ATOM 571 CA LEU A 35 -4.073 1.280 3.760 1.00 60.54 C ATOM 572 C LEU A 35 -2.907 0.552 4.444 1.00 33.13 C ATOM 573 O LEU A 35 -1.751 0.700 4.045 1.00 3.33 O ATOM 574 CB LEU A 35 -4.065 0.988 2.249 1.00 61.42 C ATOM 575 CG LEU A 35 -5.207 1.636 1.442 1.00 14.52 C ATOM 576 CD1 LEU A 35 -5.037 1.363 -0.052 1.00 35.05 C ATOM 577 CD2 LEU A 35 -6.568 1.136 1.930 1.00 14.12 C ATOM 0 H LEU A 35 -3.262 3.185 3.418 1.00 41.15 H new ATOM 0 HA LEU A 35 -5.010 0.920 4.185 1.00 60.54 H new ATOM 0 HB2 LEU A 35 -3.115 1.326 1.836 1.00 61.42 H new ATOM 0 HB3 LEU A 35 -4.109 -0.092 2.105 1.00 61.42 H new ATOM 0 HG LEU A 35 -5.163 2.714 1.599 1.00 14.52 H new ATOM 0 HD11 LEU A 35 -5.854 1.830 -0.602 1.00 35.05 H new ATOM 0 HD12 LEU A 35 -4.088 1.777 -0.392 1.00 35.05 H new ATOM 0 HD13 LEU A 35 -5.048 0.288 -0.229 1.00 35.05 H new ATOM 0 HD21 LEU A 35 -7.359 1.607 1.346 1.00 14.12 H new ATOM 0 HD22 LEU A 35 -6.623 0.054 1.810 1.00 14.12 H new ATOM 0 HD23 LEU A 35 -6.693 1.391 2.982 1.00 14.12 H new ATOM 589 N GLU A 36 -3.210 -0.234 5.475 1.00 25.31 N ATOM 590 CA GLU A 36 -2.168 -0.915 6.252 1.00 50.41 C ATOM 591 C GLU A 36 -2.396 -2.431 6.317 1.00 2.01 C ATOM 592 O GLU A 36 -3.534 -2.907 6.292 1.00 35.21 O ATOM 593 CB GLU A 36 -2.090 -0.319 7.666 1.00 25.41 C ATOM 594 CG GLU A 36 -3.380 -0.441 8.472 1.00 64.41 C ATOM 595 CD GLU A 36 -3.267 0.192 9.852 1.00 32.22 C ATOM 596 OE1 GLU A 36 -2.484 -0.315 10.685 1.00 72.21 O ATOM 597 OE2 GLU A 36 -3.946 1.210 10.110 1.00 41.31 O ATOM 0 H GLU A 36 -4.162 -0.417 5.793 1.00 25.31 H new ATOM 0 HA GLU A 36 -1.218 -0.755 5.743 1.00 50.41 H new ATOM 0 HB2 GLU A 36 -1.286 -0.813 8.212 1.00 25.41 H new ATOM 0 HB3 GLU A 36 -1.822 0.735 7.589 1.00 25.41 H new ATOM 0 HG2 GLU A 36 -4.194 0.034 7.924 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.640 -1.494 8.579 1.00 64.41 H new ATOM 604 N CYS A 37 -1.299 -3.182 6.392 1.00 31.41 N ATOM 605 CA CYS A 37 -1.352 -4.649 6.442 1.00 32.02 C ATOM 606 C CYS A 37 -0.109 -5.229 7.137 1.00 43.43 C ATOM 607 O CYS A 37 0.883 -4.527 7.347 1.00 73.34 O ATOM 608 CB CYS A 37 -1.461 -5.226 5.024 1.00 51.44 C ATOM 609 SG CYS A 37 -0.081 -4.787 3.934 1.00 15.01 S ATOM 0 H CYS A 37 -0.354 -2.799 6.420 1.00 31.41 H new ATOM 0 HA CYS A 37 -2.234 -4.929 7.019 1.00 32.02 H new ATOM 0 HB2 CYS A 37 -1.526 -6.312 5.090 1.00 51.44 H new ATOM 0 HB3 CYS A 37 -2.390 -4.878 4.573 1.00 51.44 H new ATOM 0 HG CYS A 37 -0.265 -5.323 2.764 1.00 15.01 H new ATOM 615 N GLN A 38 -0.163 -6.515 7.484 1.00 21.23 N ATOM 616 CA GLN A 38 0.971 -7.194 8.131 1.00 11.54 C ATOM 617 C GLN A 38 1.647 -8.186 7.172 1.00 74.42 C ATOM 618 O GLN A 38 1.000 -9.088 6.639 1.00 3.43 O ATOM 619 CB GLN A 38 0.507 -7.941 9.392 1.00 73.23 C ATOM 620 CG GLN A 38 -0.022 -7.037 10.502 1.00 32.14 C ATOM 621 CD GLN A 38 1.041 -6.135 11.118 1.00 53.03 C ATOM 622 OE1 GLN A 38 0.753 -5.027 11.549 1.00 5.34 O ATOM 623 NE2 GLN A 38 2.273 -6.604 11.187 1.00 62.35 N ATOM 0 H GLN A 38 -0.976 -7.111 7.330 1.00 21.23 H new ATOM 0 HA GLN A 38 1.694 -6.428 8.410 1.00 11.54 H new ATOM 0 HB2 GLN A 38 -0.274 -8.649 9.114 1.00 73.23 H new ATOM 0 HB3 GLN A 38 1.341 -8.524 9.782 1.00 73.23 H new ATOM 0 HG2 GLN A 38 -0.824 -6.417 10.102 1.00 32.14 H new ATOM 0 HG3 GLN A 38 -0.458 -7.656 11.286 1.00 32.14 H new ATOM 0 HE21 GLN A 38 2.487 -7.531 10.820 1.00 62.35 H new ATOM 0 HE22 GLN A 38 3.011 -6.039 11.607 1.00 62.35 H new ATOM 632 N ILE A 39 2.950 -8.013 6.963 1.00 71.31 N ATOM 633 CA ILE A 39 3.742 -8.907 6.111 1.00 44.21 C ATOM 634 C ILE A 39 4.893 -9.533 6.909 1.00 32.01 C ATOM 635 O ILE A 39 5.721 -8.820 7.473 1.00 21.22 O ATOM 636 CB ILE A 39 4.342 -8.147 4.895 1.00 52.54 C ATOM 637 CG1 ILE A 39 3.234 -7.456 4.088 1.00 2.24 C ATOM 638 CG2 ILE A 39 5.137 -9.101 4.004 1.00 1.51 C ATOM 639 CD1 ILE A 39 3.746 -6.644 2.917 1.00 14.43 C ATOM 0 H ILE A 39 3.489 -7.252 7.377 1.00 71.31 H new ATOM 0 HA ILE A 39 3.069 -9.686 5.752 1.00 44.21 H new ATOM 0 HB ILE A 39 5.020 -7.382 5.272 1.00 52.54 H new ATOM 0 HG12 ILE A 39 2.541 -8.212 3.718 1.00 2.24 H new ATOM 0 HG13 ILE A 39 2.668 -6.802 4.752 1.00 2.24 H new ATOM 0 HG21 ILE A 39 5.549 -8.551 3.158 1.00 1.51 H new ATOM 0 HG22 ILE A 39 5.950 -9.544 4.579 1.00 1.51 H new ATOM 0 HG23 ILE A 39 4.480 -9.890 3.638 1.00 1.51 H new ATOM 0 HD11 ILE A 39 2.905 -6.187 2.396 1.00 14.43 H new ATOM 0 HD12 ILE A 39 4.416 -5.864 3.280 1.00 14.43 H new ATOM 0 HD13 ILE A 39 4.287 -7.296 2.231 1.00 14.43 H new ATOM 651 N SER A 40 4.951 -10.863 6.961 1.00 25.22 N ATOM 652 CA SER A 40 6.050 -11.547 7.657 1.00 11.13 C ATOM 653 C SER A 40 7.179 -11.889 6.678 1.00 74.33 C ATOM 654 O SER A 40 7.081 -12.846 5.906 1.00 20.23 O ATOM 655 CB SER A 40 5.546 -12.830 8.336 1.00 13.22 C ATOM 656 OG SER A 40 6.594 -13.506 9.014 1.00 64.12 O ATOM 0 H SER A 40 4.262 -11.485 6.537 1.00 25.22 H new ATOM 0 HA SER A 40 6.436 -10.872 8.421 1.00 11.13 H new ATOM 0 HB2 SER A 40 4.754 -12.582 9.043 1.00 13.22 H new ATOM 0 HB3 SER A 40 5.109 -13.491 7.588 1.00 13.22 H new ATOM 0 HG SER A 40 6.241 -14.317 9.436 1.00 64.12 H new ATOM 662 N ALA A 41 8.230 -11.072 6.687 1.00 34.41 N ATOM 663 CA ALA A 41 9.413 -11.295 5.849 1.00 51.04 C ATOM 664 C ALA A 41 10.709 -11.104 6.644 1.00 11.24 C ATOM 665 O ALA A 41 10.827 -10.163 7.431 1.00 73.31 O ATOM 666 CB ALA A 41 9.393 -10.363 4.646 1.00 4.15 C ATOM 0 H ALA A 41 8.289 -10.239 7.272 1.00 34.41 H new ATOM 0 HA ALA A 41 9.383 -12.328 5.501 1.00 51.04 H new ATOM 0 HB1 ALA A 41 10.277 -10.540 4.034 1.00 4.15 H new ATOM 0 HB2 ALA A 41 8.498 -10.552 4.054 1.00 4.15 H new ATOM 0 HB3 ALA A 41 9.390 -9.328 4.988 1.00 4.15 H new ATOM 672 N ILE A 42 11.687 -11.981 6.428 1.00 74.51 N ATOM 673 CA ILE A 42 13.005 -11.847 7.067 1.00 53.41 C ATOM 674 C ILE A 42 14.132 -12.067 6.039 1.00 43.32 C ATOM 675 O ILE A 42 14.271 -13.165 5.503 1.00 30.33 O ATOM 676 CB ILE A 42 13.183 -12.856 8.238 1.00 63.11 C ATOM 677 CG1 ILE A 42 12.044 -12.707 9.265 1.00 75.14 C ATOM 678 CG2 ILE A 42 14.541 -12.656 8.915 1.00 31.22 C ATOM 679 CD1 ILE A 42 12.124 -13.683 10.423 1.00 1.12 C ATOM 0 H ILE A 42 11.597 -12.793 5.817 1.00 74.51 H new ATOM 0 HA ILE A 42 13.063 -10.835 7.467 1.00 53.41 H new ATOM 0 HB ILE A 42 13.144 -13.865 7.828 1.00 63.11 H new ATOM 0 HG12 ILE A 42 12.055 -11.691 9.659 1.00 75.14 H new ATOM 0 HG13 ILE A 42 11.090 -12.841 8.756 1.00 75.14 H new ATOM 0 HG21 ILE A 42 14.649 -13.370 9.732 1.00 31.22 H new ATOM 0 HG22 ILE A 42 15.337 -12.814 8.187 1.00 31.22 H new ATOM 0 HG23 ILE A 42 14.605 -11.642 9.309 1.00 31.22 H new ATOM 0 HD11 ILE A 42 11.287 -13.513 11.101 1.00 1.12 H new ATOM 0 HD12 ILE A 42 12.081 -14.703 10.042 1.00 1.12 H new ATOM 0 HD13 ILE A 42 13.061 -13.535 10.960 1.00 1.12 H new ATOM 691 N PRO A 43 14.939 -11.033 5.715 1.00 20.14 N ATOM 692 CA PRO A 43 14.795 -9.656 6.239 1.00 13.40 C ATOM 693 C PRO A 43 13.680 -8.856 5.525 1.00 32.34 C ATOM 694 O PRO A 43 13.150 -9.299 4.504 1.00 74.20 O ATOM 695 CB PRO A 43 16.183 -9.027 5.955 1.00 32.32 C ATOM 696 CG PRO A 43 17.037 -10.133 5.412 1.00 73.31 C ATOM 697 CD PRO A 43 16.091 -11.130 4.814 1.00 10.21 C ATOM 0 HA PRO A 43 14.509 -9.648 7.291 1.00 13.40 H new ATOM 0 HB2 PRO A 43 16.101 -8.210 5.238 1.00 32.32 H new ATOM 0 HB3 PRO A 43 16.616 -8.611 6.865 1.00 32.32 H new ATOM 0 HG2 PRO A 43 17.733 -9.757 4.662 1.00 73.31 H new ATOM 0 HG3 PRO A 43 17.635 -10.588 6.202 1.00 73.31 H new ATOM 0 HD2 PRO A 43 15.828 -10.878 3.787 1.00 10.21 H new ATOM 0 HD3 PRO A 43 16.513 -12.135 4.798 1.00 10.21 H new ATOM 705 N PRO A 44 13.303 -7.665 6.059 1.00 55.33 N ATOM 706 CA PRO A 44 12.282 -6.795 5.434 1.00 54.44 C ATOM 707 C PRO A 44 12.488 -6.603 3.915 1.00 42.02 C ATOM 708 O PRO A 44 13.601 -6.321 3.460 1.00 4.42 O ATOM 709 CB PRO A 44 12.463 -5.466 6.177 1.00 50.02 C ATOM 710 CG PRO A 44 12.945 -5.866 7.532 1.00 40.13 C ATOM 711 CD PRO A 44 13.819 -7.079 7.317 1.00 35.32 C ATOM 0 HA PRO A 44 11.283 -7.223 5.515 1.00 54.44 H new ATOM 0 HB2 PRO A 44 13.183 -4.822 5.672 1.00 50.02 H new ATOM 0 HB3 PRO A 44 11.526 -4.912 6.235 1.00 50.02 H new ATOM 0 HG2 PRO A 44 13.506 -5.058 8.002 1.00 40.13 H new ATOM 0 HG3 PRO A 44 12.109 -6.099 8.191 1.00 40.13 H new ATOM 0 HD2 PRO A 44 14.870 -6.805 7.229 1.00 35.32 H new ATOM 0 HD3 PRO A 44 13.741 -7.781 8.147 1.00 35.32 H new ATOM 719 N PRO A 45 11.415 -6.750 3.111 1.00 41.03 N ATOM 720 CA PRO A 45 11.495 -6.702 1.645 1.00 43.45 C ATOM 721 C PRO A 45 11.304 -5.293 1.060 1.00 30.34 C ATOM 722 O PRO A 45 10.941 -4.352 1.770 1.00 13.31 O ATOM 723 CB PRO A 45 10.331 -7.608 1.249 1.00 1.23 C ATOM 724 CG PRO A 45 9.287 -7.348 2.292 1.00 43.44 C ATOM 725 CD PRO A 45 10.026 -6.968 3.561 1.00 4.22 C ATOM 0 HA PRO A 45 12.474 -7.004 1.272 1.00 43.45 H new ATOM 0 HB2 PRO A 45 9.964 -7.370 0.251 1.00 1.23 H new ATOM 0 HB3 PRO A 45 10.629 -8.656 1.237 1.00 1.23 H new ATOM 0 HG2 PRO A 45 8.618 -6.547 1.979 1.00 43.44 H new ATOM 0 HG3 PRO A 45 8.671 -8.233 2.453 1.00 43.44 H new ATOM 0 HD2 PRO A 45 9.607 -6.069 4.014 1.00 4.22 H new ATOM 0 HD3 PRO A 45 9.968 -7.758 4.309 1.00 4.22 H new ATOM 733 N LYS A 46 11.546 -5.156 -0.243 1.00 72.14 N ATOM 734 CA LYS A 46 11.335 -3.882 -0.938 1.00 13.13 C ATOM 735 C LYS A 46 9.866 -3.757 -1.384 1.00 41.54 C ATOM 736 O LYS A 46 9.316 -4.676 -1.994 1.00 24.22 O ATOM 737 CB LYS A 46 12.268 -3.777 -2.152 1.00 73.30 C ATOM 738 CG LYS A 46 12.349 -2.375 -2.752 1.00 51.02 C ATOM 739 CD LYS A 46 13.030 -1.397 -1.799 1.00 33.53 C ATOM 740 CE LYS A 46 13.098 0.011 -2.378 1.00 52.40 C ATOM 741 NZ LYS A 46 13.872 0.933 -1.502 1.00 4.34 N ATOM 0 H LYS A 46 11.888 -5.909 -0.840 1.00 72.14 H new ATOM 0 HA LYS A 46 11.564 -3.067 -0.251 1.00 13.13 H new ATOM 0 HB2 LYS A 46 13.268 -4.094 -1.857 1.00 73.30 H new ATOM 0 HB3 LYS A 46 11.928 -4.471 -2.920 1.00 73.30 H new ATOM 0 HG2 LYS A 46 12.900 -2.412 -3.692 1.00 51.02 H new ATOM 0 HG3 LYS A 46 11.345 -2.019 -2.984 1.00 51.02 H new ATOM 0 HD2 LYS A 46 12.487 -1.374 -0.854 1.00 33.53 H new ATOM 0 HD3 LYS A 46 14.038 -1.748 -1.579 1.00 33.53 H new ATOM 0 HE2 LYS A 46 13.558 -0.024 -3.365 1.00 52.40 H new ATOM 0 HE3 LYS A 46 12.088 0.398 -2.511 1.00 52.40 H new ATOM 0 HZ1 LYS A 46 13.895 1.881 -1.930 1.00 4.34 H new ATOM 0 HZ2 LYS A 46 13.419 0.986 -0.568 1.00 4.34 H new ATOM 0 HZ3 LYS A 46 14.843 0.577 -1.396 1.00 4.34 H new ATOM 755 N LEU A 47 9.241 -2.621 -1.079 1.00 65.15 N ATOM 756 CA LEU A 47 7.807 -2.426 -1.341 1.00 61.44 C ATOM 757 C LEU A 47 7.550 -1.612 -2.624 1.00 45.35 C ATOM 758 O LEU A 47 8.064 -0.500 -2.787 1.00 62.32 O ATOM 759 CB LEU A 47 7.157 -1.718 -0.144 1.00 61.23 C ATOM 760 CG LEU A 47 7.343 -2.421 1.212 1.00 21.44 C ATOM 761 CD1 LEU A 47 6.762 -1.579 2.344 1.00 60.44 C ATOM 762 CD2 LEU A 47 6.711 -3.814 1.200 1.00 55.01 C ATOM 0 H LEU A 47 9.701 -1.818 -0.650 1.00 65.15 H new ATOM 0 HA LEU A 47 7.364 -3.412 -1.485 1.00 61.44 H new ATOM 0 HB2 LEU A 47 7.566 -0.710 -0.072 1.00 61.23 H new ATOM 0 HB3 LEU A 47 6.089 -1.615 -0.339 1.00 61.23 H new ATOM 0 HG LEU A 47 8.413 -2.536 1.384 1.00 21.44 H new ATOM 0 HD11 LEU A 47 6.905 -2.096 3.293 1.00 60.44 H new ATOM 0 HD12 LEU A 47 7.268 -0.614 2.377 1.00 60.44 H new ATOM 0 HD13 LEU A 47 5.697 -1.424 2.172 1.00 60.44 H new ATOM 0 HD21 LEU A 47 6.857 -4.288 2.170 1.00 55.01 H new ATOM 0 HD22 LEU A 47 5.644 -3.728 0.995 1.00 55.01 H new ATOM 0 HD23 LEU A 47 7.181 -4.420 0.426 1.00 55.01 H new ATOM 774 N PHE A 48 6.743 -2.172 -3.526 1.00 64.11 N ATOM 775 CA PHE A 48 6.354 -1.479 -4.764 1.00 1.44 C ATOM 776 C PHE A 48 4.826 -1.317 -4.860 1.00 31.54 C ATOM 777 O PHE A 48 4.093 -2.304 -4.924 1.00 62.25 O ATOM 778 CB PHE A 48 6.859 -2.249 -5.994 1.00 61.52 C ATOM 779 CG PHE A 48 8.359 -2.403 -6.048 1.00 23.43 C ATOM 780 CD1 PHE A 48 9.161 -1.359 -6.488 1.00 35.13 C ATOM 781 CD2 PHE A 48 8.967 -3.590 -5.661 1.00 33.21 C ATOM 782 CE1 PHE A 48 10.534 -1.496 -6.540 1.00 63.23 C ATOM 783 CE2 PHE A 48 10.340 -3.730 -5.712 1.00 3.13 C ATOM 784 CZ PHE A 48 11.124 -2.684 -6.152 1.00 52.32 C ATOM 0 H PHE A 48 6.343 -3.105 -3.426 1.00 64.11 H new ATOM 0 HA PHE A 48 6.810 -0.489 -4.740 1.00 1.44 H new ATOM 0 HB2 PHE A 48 6.402 -3.238 -6.003 1.00 61.52 H new ATOM 0 HB3 PHE A 48 6.524 -1.735 -6.895 1.00 61.52 H new ATOM 0 HD1 PHE A 48 8.706 -0.428 -6.793 1.00 35.13 H new ATOM 0 HD2 PHE A 48 8.359 -4.413 -5.316 1.00 33.21 H new ATOM 0 HE1 PHE A 48 11.146 -0.675 -6.884 1.00 63.23 H new ATOM 0 HE2 PHE A 48 10.800 -4.659 -5.407 1.00 3.13 H new ATOM 0 HZ PHE A 48 12.198 -2.793 -6.193 1.00 52.32 H new ATOM 794 N TRP A 49 4.354 -0.072 -4.871 1.00 13.03 N ATOM 795 CA TRP A 49 2.920 0.221 -5.033 1.00 22.10 C ATOM 796 C TRP A 49 2.621 0.774 -6.435 1.00 54.31 C ATOM 797 O TRP A 49 3.353 1.627 -6.948 1.00 21.31 O ATOM 798 CB TRP A 49 2.451 1.224 -3.969 1.00 25.45 C ATOM 799 CG TRP A 49 2.348 0.643 -2.588 1.00 35.11 C ATOM 800 CD1 TRP A 49 3.348 0.522 -1.666 1.00 62.22 C ATOM 801 CD2 TRP A 49 1.170 0.113 -1.974 1.00 31.41 C ATOM 802 NE1 TRP A 49 2.862 -0.052 -0.518 1.00 30.11 N ATOM 803 CE2 TRP A 49 1.527 -0.308 -0.679 1.00 35.24 C ATOM 804 CE3 TRP A 49 -0.154 -0.044 -2.392 1.00 63.02 C ATOM 805 CZ2 TRP A 49 0.608 -0.877 0.198 1.00 73.14 C ATOM 806 CZ3 TRP A 49 -1.066 -0.607 -1.521 1.00 20.13 C ATOM 807 CH2 TRP A 49 -0.683 -1.015 -0.236 1.00 43.31 C ATOM 0 H TRP A 49 4.941 0.756 -4.770 1.00 13.03 H new ATOM 0 HA TRP A 49 2.375 -0.715 -4.907 1.00 22.10 H new ATOM 0 HB2 TRP A 49 3.143 2.066 -3.948 1.00 25.45 H new ATOM 0 HB3 TRP A 49 1.478 1.619 -4.260 1.00 25.45 H new ATOM 0 HD1 TRP A 49 4.371 0.832 -1.818 1.00 62.22 H new ATOM 0 HE1 TRP A 49 3.407 -0.255 0.320 1.00 30.11 H new ATOM 0 HE3 TRP A 49 -0.459 0.270 -3.379 1.00 63.02 H new ATOM 0 HZ2 TRP A 49 0.903 -1.198 1.186 1.00 73.14 H new ATOM 0 HZ3 TRP A 49 -2.091 -0.735 -1.835 1.00 20.13 H new ATOM 0 HH2 TRP A 49 -1.421 -1.447 0.424 1.00 43.31 H new ATOM 818 N LYS A 50 1.542 0.292 -7.050 1.00 3.32 N ATOM 819 CA LYS A 50 1.146 0.742 -8.391 1.00 52.03 C ATOM 820 C LYS A 50 -0.383 0.876 -8.519 1.00 50.13 C ATOM 821 O LYS A 50 -1.126 -0.048 -8.191 1.00 0.42 O ATOM 822 CB LYS A 50 1.686 -0.241 -9.440 1.00 1.01 C ATOM 823 CG LYS A 50 1.303 0.096 -10.878 1.00 52.02 C ATOM 824 CD LYS A 50 1.971 -0.834 -11.897 1.00 54.23 C ATOM 825 CE LYS A 50 1.548 -2.300 -11.740 1.00 63.35 C ATOM 826 NZ LYS A 50 2.247 -2.989 -10.619 1.00 21.14 N ATOM 0 H LYS A 50 0.924 -0.410 -6.644 1.00 3.32 H new ATOM 0 HA LYS A 50 1.573 1.730 -8.560 1.00 52.03 H new ATOM 0 HB2 LYS A 50 2.773 -0.273 -9.365 1.00 1.01 H new ATOM 0 HB3 LYS A 50 1.321 -1.241 -9.205 1.00 1.01 H new ATOM 0 HG2 LYS A 50 0.220 0.031 -10.987 1.00 52.02 H new ATOM 0 HG3 LYS A 50 1.584 1.127 -11.093 1.00 52.02 H new ATOM 0 HD2 LYS A 50 1.725 -0.497 -12.904 1.00 54.23 H new ATOM 0 HD3 LYS A 50 3.053 -0.761 -11.792 1.00 54.23 H new ATOM 0 HE2 LYS A 50 0.472 -2.346 -11.573 1.00 63.35 H new ATOM 0 HE3 LYS A 50 1.750 -2.833 -12.669 1.00 63.35 H new ATOM 0 HZ1 LYS A 50 2.585 -3.919 -10.940 1.00 21.14 H new ATOM 0 HZ2 LYS A 50 3.056 -2.414 -10.309 1.00 21.14 H new ATOM 0 HZ3 LYS A 50 1.588 -3.116 -9.825 1.00 21.14 H new ATOM 840 N ARG A 51 -0.834 2.037 -8.993 1.00 23.32 N ATOM 841 CA ARG A 51 -2.262 2.312 -9.220 1.00 71.03 C ATOM 842 C ARG A 51 -2.554 2.477 -10.719 1.00 63.14 C ATOM 843 O ARG A 51 -2.072 3.422 -11.337 1.00 55.12 O ATOM 844 CB ARG A 51 -2.669 3.607 -8.504 1.00 75.41 C ATOM 845 CG ARG A 51 -4.133 3.998 -8.713 1.00 45.25 C ATOM 846 CD ARG A 51 -4.393 5.453 -8.336 1.00 42.44 C ATOM 847 NE ARG A 51 -3.769 6.379 -9.284 1.00 54.43 N ATOM 848 CZ ARG A 51 -3.587 7.652 -9.061 1.00 64.41 C ATOM 849 NH1 ARG A 51 -3.918 8.175 -7.923 1.00 71.42 N ATOM 850 NH2 ARG A 51 -3.070 8.404 -9.981 1.00 34.10 N ATOM 0 H ARG A 51 -0.223 2.818 -9.232 1.00 23.32 H new ATOM 0 HA ARG A 51 -2.830 1.468 -8.828 1.00 71.03 H new ATOM 0 HB2 ARG A 51 -2.482 3.494 -7.436 1.00 75.41 H new ATOM 0 HB3 ARG A 51 -2.033 4.420 -8.855 1.00 75.41 H new ATOM 0 HG2 ARG A 51 -4.406 3.839 -9.756 1.00 45.25 H new ATOM 0 HG3 ARG A 51 -4.771 3.348 -8.114 1.00 45.25 H new ATOM 0 HD2 ARG A 51 -5.467 5.634 -8.304 1.00 42.44 H new ATOM 0 HD3 ARG A 51 -4.008 5.644 -7.334 1.00 42.44 H new ATOM 0 HE ARG A 51 -3.455 6.004 -10.179 1.00 54.43 H new ATOM 0 HH11 ARG A 51 -4.325 7.591 -7.192 1.00 71.42 H new ATOM 0 HH12 ARG A 51 -3.772 9.171 -7.758 1.00 71.42 H new ATOM 0 HH21 ARG A 51 -2.805 8.001 -10.880 1.00 34.10 H new ATOM 0 HH22 ARG A 51 -2.928 9.399 -9.806 1.00 34.10 H new ATOM 864 N ASN A 52 -3.351 1.575 -11.294 1.00 14.22 N ATOM 865 CA ASN A 52 -3.735 1.674 -12.714 1.00 43.20 C ATOM 866 C ASN A 52 -2.509 1.929 -13.624 1.00 72.03 C ATOM 867 O ASN A 52 -2.492 2.881 -14.407 1.00 21.55 O ATOM 868 CB ASN A 52 -4.764 2.800 -12.904 1.00 64.01 C ATOM 869 CG ASN A 52 -6.014 2.619 -12.055 1.00 32.50 C ATOM 870 OD1 ASN A 52 -6.432 1.505 -11.757 1.00 22.13 O ATOM 871 ND2 ASN A 52 -6.621 3.720 -11.658 1.00 2.02 N ATOM 0 H ASN A 52 -3.744 0.770 -10.807 1.00 14.22 H new ATOM 0 HA ASN A 52 -4.175 0.720 -13.003 1.00 43.20 H new ATOM 0 HB2 ASN A 52 -4.299 3.754 -12.656 1.00 64.01 H new ATOM 0 HB3 ASN A 52 -5.050 2.849 -13.955 1.00 64.01 H new ATOM 0 HD21 ASN A 52 -7.463 3.660 -11.086 1.00 2.02 H new ATOM 0 HD22 ASN A 52 -6.248 4.632 -11.923 1.00 2.02 H new ATOM 878 N ASN A 53 -1.487 1.077 -13.495 1.00 14.30 N ATOM 879 CA ASN A 53 -0.238 1.183 -14.281 1.00 64.33 C ATOM 880 C ASN A 53 0.678 2.345 -13.829 1.00 43.32 C ATOM 881 O ASN A 53 1.839 2.407 -14.232 1.00 10.51 O ATOM 882 CB ASN A 53 -0.534 1.294 -15.784 1.00 3.12 C ATOM 883 CG ASN A 53 -1.221 0.057 -16.334 1.00 21.32 C ATOM 884 OD1 ASN A 53 -0.969 -1.063 -15.896 1.00 42.43 O ATOM 885 ND2 ASN A 53 -2.105 0.251 -17.286 1.00 52.45 N ATOM 0 H ASN A 53 -1.495 0.292 -12.844 1.00 14.30 H new ATOM 0 HA ASN A 53 0.309 0.259 -14.090 1.00 64.33 H new ATOM 0 HB2 ASN A 53 -1.164 2.165 -15.964 1.00 3.12 H new ATOM 0 HB3 ASN A 53 0.399 1.458 -16.324 1.00 3.12 H new ATOM 0 HD21 ASN A 53 -2.607 -0.542 -17.685 1.00 52.45 H new ATOM 0 HD22 ASN A 53 -2.290 1.195 -17.626 1.00 52.45 H new ATOM 892 N GLU A 54 0.171 3.257 -12.998 1.00 0.22 N ATOM 893 CA GLU A 54 0.996 4.352 -12.455 1.00 14.50 C ATOM 894 C GLU A 54 1.730 3.899 -11.186 1.00 14.24 C ATOM 895 O GLU A 54 1.096 3.497 -10.211 1.00 53.14 O ATOM 896 CB GLU A 54 0.127 5.574 -12.113 1.00 40.15 C ATOM 897 CG GLU A 54 -0.634 6.165 -13.294 1.00 75.24 C ATOM 898 CD GLU A 54 -1.395 7.426 -12.912 1.00 23.31 C ATOM 899 OE1 GLU A 54 -0.813 8.529 -12.994 1.00 21.50 O ATOM 900 OE2 GLU A 54 -2.575 7.319 -12.513 1.00 43.23 O ATOM 0 H GLU A 54 -0.800 3.265 -12.684 1.00 0.22 H new ATOM 0 HA GLU A 54 1.722 4.625 -13.221 1.00 14.50 H new ATOM 0 HB2 GLU A 54 -0.589 5.289 -11.343 1.00 40.15 H new ATOM 0 HB3 GLU A 54 0.764 6.348 -11.685 1.00 40.15 H new ATOM 0 HG2 GLU A 54 0.066 6.394 -14.098 1.00 75.24 H new ATOM 0 HG3 GLU A 54 -1.333 5.424 -13.682 1.00 75.24 H new ATOM 907 N MET A 55 3.058 3.963 -11.186 1.00 11.41 N ATOM 908 CA MET A 55 3.826 3.598 -9.994 1.00 75.24 C ATOM 909 C MET A 55 3.733 4.696 -8.924 1.00 62.44 C ATOM 910 O MET A 55 4.139 5.840 -9.145 1.00 13.12 O ATOM 911 CB MET A 55 5.290 3.304 -10.342 1.00 44.12 C ATOM 912 CG MET A 55 6.144 2.961 -9.125 1.00 51.40 C ATOM 913 SD MET A 55 7.517 1.862 -9.521 1.00 54.02 S ATOM 914 CE MET A 55 6.624 0.397 -10.039 1.00 10.04 C ATOM 0 H MET A 55 3.621 4.259 -11.984 1.00 11.41 H new ATOM 0 HA MET A 55 3.389 2.686 -9.587 1.00 75.24 H new ATOM 0 HB2 MET A 55 5.328 2.475 -11.049 1.00 44.12 H new ATOM 0 HB3 MET A 55 5.718 4.172 -10.844 1.00 44.12 H new ATOM 0 HG2 MET A 55 6.535 3.881 -8.690 1.00 51.40 H new ATOM 0 HG3 MET A 55 5.516 2.492 -8.367 1.00 51.40 H new ATOM 0 HE1 MET A 55 7.224 -0.488 -9.827 1.00 10.04 H new ATOM 0 HE2 MET A 55 5.681 0.335 -9.496 1.00 10.04 H new ATOM 0 HE3 MET A 55 6.424 0.452 -11.109 1.00 10.04 H new ATOM 924 N VAL A 56 3.199 4.332 -7.761 1.00 53.31 N ATOM 925 CA VAL A 56 2.945 5.289 -6.685 1.00 23.44 C ATOM 926 C VAL A 56 4.251 5.779 -6.040 1.00 2.44 C ATOM 927 O VAL A 56 4.934 5.027 -5.340 1.00 60.14 O ATOM 928 CB VAL A 56 2.035 4.659 -5.598 1.00 64.40 C ATOM 929 CG1 VAL A 56 1.630 5.692 -4.546 1.00 21.43 C ATOM 930 CG2 VAL A 56 0.806 4.013 -6.237 1.00 12.14 C ATOM 0 H VAL A 56 2.932 3.373 -7.538 1.00 53.31 H new ATOM 0 HA VAL A 56 2.440 6.147 -7.130 1.00 23.44 H new ATOM 0 HB VAL A 56 2.604 3.881 -5.090 1.00 64.40 H new ATOM 0 HG11 VAL A 56 0.993 5.219 -3.798 1.00 21.43 H new ATOM 0 HG12 VAL A 56 2.523 6.089 -4.063 1.00 21.43 H new ATOM 0 HG13 VAL A 56 1.085 6.505 -5.025 1.00 21.43 H new ATOM 0 HG21 VAL A 56 0.179 3.576 -5.460 1.00 12.14 H new ATOM 0 HG22 VAL A 56 0.238 4.769 -6.779 1.00 12.14 H new ATOM 0 HG23 VAL A 56 1.123 3.232 -6.928 1.00 12.14 H new ATOM 940 N GLN A 57 4.598 7.040 -6.294 1.00 62.44 N ATOM 941 CA GLN A 57 5.777 7.665 -5.684 1.00 55.53 C ATOM 942 C GLN A 57 5.392 8.420 -4.402 1.00 74.25 C ATOM 943 O GLN A 57 4.413 9.170 -4.381 1.00 42.35 O ATOM 944 CB GLN A 57 6.446 8.621 -6.677 1.00 3.22 C ATOM 945 CG GLN A 57 6.882 7.953 -7.976 1.00 45.13 C ATOM 946 CD GLN A 57 7.638 8.896 -8.893 1.00 0.53 C ATOM 947 OE1 GLN A 57 7.050 9.585 -9.724 1.00 24.13 O ATOM 948 NE2 GLN A 57 8.947 8.930 -8.753 1.00 2.10 N ATOM 0 H GLN A 57 4.078 7.654 -6.921 1.00 62.44 H new ATOM 0 HA GLN A 57 6.483 6.877 -5.421 1.00 55.53 H new ATOM 0 HB2 GLN A 57 5.754 9.430 -6.910 1.00 3.22 H new ATOM 0 HB3 GLN A 57 7.317 9.073 -6.202 1.00 3.22 H new ATOM 0 HG2 GLN A 57 7.512 7.094 -7.745 1.00 45.13 H new ATOM 0 HG3 GLN A 57 6.003 7.572 -8.497 1.00 45.13 H new ATOM 0 HE21 GLN A 57 9.400 8.344 -8.052 1.00 2.10 H new ATOM 0 HE22 GLN A 57 9.508 9.543 -9.345 1.00 2.10 H new ATOM 957 N PHE A 58 6.185 8.245 -3.352 1.00 1.02 N ATOM 958 CA PHE A 58 5.835 8.742 -2.012 1.00 44.22 C ATOM 959 C PHE A 58 6.579 10.046 -1.677 1.00 15.33 C ATOM 960 O PHE A 58 6.723 10.412 -0.509 1.00 71.33 O ATOM 961 CB PHE A 58 6.171 7.656 -0.978 1.00 15.41 C ATOM 962 CG PHE A 58 5.781 6.265 -1.429 1.00 52.22 C ATOM 963 CD1 PHE A 58 4.462 5.839 -1.367 1.00 2.15 C ATOM 964 CD2 PHE A 58 6.737 5.389 -1.928 1.00 14.12 C ATOM 965 CE1 PHE A 58 4.105 4.574 -1.793 1.00 35.52 C ATOM 966 CE2 PHE A 58 6.384 4.122 -2.352 1.00 34.32 C ATOM 967 CZ PHE A 58 5.066 3.715 -2.284 1.00 41.12 C ATOM 0 H PHE A 58 7.082 7.761 -3.396 1.00 1.02 H new ATOM 0 HA PHE A 58 4.768 8.965 -1.989 1.00 44.22 H new ATOM 0 HB2 PHE A 58 7.241 7.678 -0.772 1.00 15.41 H new ATOM 0 HB3 PHE A 58 5.661 7.884 -0.042 1.00 15.41 H new ATOM 0 HD1 PHE A 58 3.704 6.505 -0.981 1.00 2.15 H new ATOM 0 HD2 PHE A 58 7.769 5.702 -1.985 1.00 14.12 H new ATOM 0 HE1 PHE A 58 3.074 4.258 -1.742 1.00 35.52 H new ATOM 0 HE2 PHE A 58 7.138 3.451 -2.736 1.00 34.32 H new ATOM 0 HZ PHE A 58 4.788 2.725 -2.615 1.00 41.12 H new ATOM 977 N ASN A 59 7.022 10.759 -2.709 1.00 20.30 N ATOM 978 CA ASN A 59 7.816 11.985 -2.532 1.00 0.44 C ATOM 979 C ASN A 59 6.935 13.247 -2.452 1.00 73.02 C ATOM 980 O ASN A 59 7.391 14.349 -2.760 1.00 73.24 O ATOM 981 CB ASN A 59 8.810 12.121 -3.692 1.00 71.34 C ATOM 982 CG ASN A 59 8.117 12.249 -5.040 1.00 51.53 C ATOM 983 OD1 ASN A 59 7.843 11.259 -5.709 1.00 34.02 O ATOM 984 ND2 ASN A 59 7.826 13.468 -5.447 1.00 22.31 N ATOM 0 H ASN A 59 6.847 10.512 -3.683 1.00 20.30 H new ATOM 0 HA ASN A 59 8.348 11.900 -1.585 1.00 0.44 H new ATOM 0 HB2 ASN A 59 9.440 12.995 -3.526 1.00 71.34 H new ATOM 0 HB3 ASN A 59 9.468 11.252 -3.706 1.00 71.34 H new ATOM 0 HD21 ASN A 59 7.359 13.609 -6.343 1.00 22.31 H new ATOM 0 HD22 ASN A 59 8.068 14.271 -4.866 1.00 22.31 H new ATOM 991 N THR A 60 5.688 13.091 -2.018 1.00 72.21 N ATOM 992 CA THR A 60 4.741 14.218 -1.963 1.00 14.02 C ATOM 993 C THR A 60 3.969 14.252 -0.638 1.00 52.10 C ATOM 994 O THR A 60 3.883 13.250 0.066 1.00 41.35 O ATOM 995 CB THR A 60 3.733 14.177 -3.141 1.00 25.24 C ATOM 996 OG1 THR A 60 2.707 15.170 -2.960 1.00 32.23 O ATOM 997 CG2 THR A 60 3.092 12.798 -3.286 1.00 43.23 C ATOM 0 H THR A 60 5.303 12.202 -1.699 1.00 72.21 H new ATOM 0 HA THR A 60 5.342 15.124 -2.042 1.00 14.02 H new ATOM 0 HB THR A 60 4.290 14.392 -4.053 1.00 25.24 H new ATOM 0 HG1 THR A 60 2.080 15.133 -3.712 1.00 32.23 H new ATOM 0 HG21 THR A 60 2.392 12.808 -4.121 1.00 43.23 H new ATOM 0 HG22 THR A 60 3.867 12.054 -3.471 1.00 43.23 H new ATOM 0 HG23 THR A 60 2.559 12.546 -2.369 1.00 43.23 H new ATOM 1005 N ASP A 61 3.395 15.411 -0.315 1.00 30.22 N ATOM 1006 CA ASP A 61 2.684 15.599 0.956 1.00 21.41 C ATOM 1007 C ASP A 61 1.374 14.788 1.000 1.00 53.41 C ATOM 1008 O ASP A 61 0.868 14.460 2.078 1.00 12.23 O ATOM 1009 CB ASP A 61 2.401 17.091 1.168 1.00 12.15 C ATOM 1010 CG ASP A 61 1.833 17.391 2.544 1.00 44.25 C ATOM 1011 OD1 ASP A 61 2.576 17.255 3.539 1.00 53.01 O ATOM 1012 OD2 ASP A 61 0.654 17.786 2.638 1.00 23.31 O ATOM 0 H ASP A 61 3.407 16.236 -0.914 1.00 30.22 H new ATOM 0 HA ASP A 61 3.319 15.231 1.762 1.00 21.41 H new ATOM 0 HB2 ASP A 61 3.324 17.655 1.030 1.00 12.15 H new ATOM 0 HB3 ASP A 61 1.700 17.435 0.407 1.00 12.15 H new ATOM 1017 N ARG A 62 0.833 14.464 -0.175 1.00 72.42 N ATOM 1018 CA ARG A 62 -0.370 13.627 -0.268 1.00 34.44 C ATOM 1019 C ARG A 62 -0.060 12.142 -0.002 1.00 20.14 C ATOM 1020 O ARG A 62 -0.847 11.441 0.630 1.00 10.00 O ATOM 1021 CB ARG A 62 -1.018 13.754 -1.658 1.00 73.21 C ATOM 1022 CG ARG A 62 -1.686 15.096 -1.946 1.00 43.35 C ATOM 1023 CD ARG A 62 -2.354 15.089 -3.321 1.00 43.40 C ATOM 1024 NE ARG A 62 -3.233 16.237 -3.530 1.00 65.21 N ATOM 1025 CZ ARG A 62 -3.869 16.476 -4.645 1.00 62.20 C ATOM 1026 NH1 ARG A 62 -3.731 15.693 -5.666 1.00 34.24 N ATOM 1027 NH2 ARG A 62 -4.656 17.494 -4.731 1.00 65.12 N ATOM 0 H ARG A 62 1.206 14.766 -1.075 1.00 72.42 H new ATOM 0 HA ARG A 62 -1.058 13.985 0.498 1.00 34.44 H new ATOM 0 HB2 ARG A 62 -0.253 13.578 -2.415 1.00 73.21 H new ATOM 0 HB3 ARG A 62 -1.762 12.965 -1.767 1.00 73.21 H new ATOM 0 HG2 ARG A 62 -2.429 15.309 -1.177 1.00 43.35 H new ATOM 0 HG3 ARG A 62 -0.944 15.893 -1.902 1.00 43.35 H new ATOM 0 HD2 ARG A 62 -1.585 15.081 -4.093 1.00 43.40 H new ATOM 0 HD3 ARG A 62 -2.930 14.171 -3.435 1.00 43.40 H new ATOM 0 HE ARG A 62 -3.357 16.892 -2.758 1.00 65.21 H new ATOM 0 HH11 ARG A 62 -3.120 14.878 -5.605 1.00 34.24 H new ATOM 0 HH12 ARG A 62 -4.233 15.890 -6.532 1.00 34.24 H new ATOM 0 HH21 ARG A 62 -4.781 18.111 -3.929 1.00 65.12 H new ATOM 0 HH22 ARG A 62 -5.153 17.682 -5.601 1.00 65.12 H new ATOM 1041 N ILE A 63 1.090 11.671 -0.484 1.00 44.31 N ATOM 1042 CA ILE A 63 1.402 10.233 -0.481 1.00 11.42 C ATOM 1043 C ILE A 63 2.661 9.917 0.342 1.00 1.21 C ATOM 1044 O ILE A 63 3.721 10.503 0.130 1.00 54.10 O ATOM 1045 CB ILE A 63 1.612 9.711 -1.929 1.00 74.32 C ATOM 1046 CG1 ILE A 63 0.402 10.052 -2.821 1.00 14.15 C ATOM 1047 CG2 ILE A 63 1.871 8.205 -1.930 1.00 21.43 C ATOM 1048 CD1 ILE A 63 -0.899 9.424 -2.366 1.00 21.53 C ATOM 0 H ILE A 63 1.823 12.259 -0.882 1.00 44.31 H new ATOM 0 HA ILE A 63 0.549 9.732 -0.023 1.00 11.42 H new ATOM 0 HB ILE A 63 2.489 10.211 -2.341 1.00 74.32 H new ATOM 0 HG12 ILE A 63 0.280 11.135 -2.850 1.00 14.15 H new ATOM 0 HG13 ILE A 63 0.613 9.727 -3.840 1.00 14.15 H new ATOM 0 HG21 ILE A 63 2.015 7.861 -2.954 1.00 21.43 H new ATOM 0 HG22 ILE A 63 2.765 7.989 -1.346 1.00 21.43 H new ATOM 0 HG23 ILE A 63 1.017 7.689 -1.491 1.00 21.43 H new ATOM 0 HD11 ILE A 63 -1.700 9.713 -3.046 1.00 21.53 H new ATOM 0 HD12 ILE A 63 -0.798 8.339 -2.364 1.00 21.53 H new ATOM 0 HD13 ILE A 63 -1.136 9.768 -1.359 1.00 21.53 H new ATOM 1060 N SER A 64 2.539 8.974 1.272 1.00 70.31 N ATOM 1061 CA SER A 64 3.679 8.536 2.094 1.00 54.13 C ATOM 1062 C SER A 64 3.583 7.041 2.428 1.00 11.52 C ATOM 1063 O SER A 64 2.489 6.491 2.532 1.00 22.55 O ATOM 1064 CB SER A 64 3.757 9.349 3.397 1.00 1.20 C ATOM 1065 OG SER A 64 4.021 10.725 3.149 1.00 34.14 O ATOM 0 H SER A 64 1.664 8.494 1.481 1.00 70.31 H new ATOM 0 HA SER A 64 4.584 8.706 1.511 1.00 54.13 H new ATOM 0 HB2 SER A 64 2.818 9.252 3.942 1.00 1.20 H new ATOM 0 HB3 SER A 64 4.540 8.938 4.035 1.00 1.20 H new ATOM 0 HG SER A 64 4.062 11.209 4.000 1.00 34.14 H new ATOM 1071 N LEU A 65 4.730 6.387 2.599 1.00 70.23 N ATOM 1072 CA LEU A 65 4.770 4.955 2.938 1.00 31.41 C ATOM 1073 C LEU A 65 5.836 4.664 4.003 1.00 42.10 C ATOM 1074 O LEU A 65 6.962 5.154 3.915 1.00 52.22 O ATOM 1075 CB LEU A 65 5.064 4.118 1.682 1.00 52.11 C ATOM 1076 CG LEU A 65 5.161 2.596 1.903 1.00 73.02 C ATOM 1077 CD1 LEU A 65 3.802 2.012 2.274 1.00 74.44 C ATOM 1078 CD2 LEU A 65 5.729 1.899 0.668 1.00 50.52 C ATOM 0 H LEU A 65 5.648 6.821 2.509 1.00 70.23 H new ATOM 0 HA LEU A 65 3.794 4.683 3.340 1.00 31.41 H new ATOM 0 HB2 LEU A 65 4.282 4.311 0.947 1.00 52.11 H new ATOM 0 HB3 LEU A 65 6.002 4.464 1.248 1.00 52.11 H new ATOM 0 HG LEU A 65 5.844 2.422 2.734 1.00 73.02 H new ATOM 0 HD11 LEU A 65 3.897 0.937 2.425 1.00 74.44 H new ATOM 0 HD12 LEU A 65 3.445 2.477 3.193 1.00 74.44 H new ATOM 0 HD13 LEU A 65 3.092 2.204 1.470 1.00 74.44 H new ATOM 0 HD21 LEU A 65 5.787 0.826 0.850 1.00 50.52 H new ATOM 0 HD22 LEU A 65 5.080 2.087 -0.187 1.00 50.52 H new ATOM 0 HD23 LEU A 65 6.726 2.286 0.458 1.00 50.52 H new ATOM 1090 N TYR A 66 5.476 3.873 5.012 1.00 21.44 N ATOM 1091 CA TYR A 66 6.445 3.418 6.015 1.00 42.24 C ATOM 1092 C TYR A 66 6.166 1.968 6.442 1.00 5.43 C ATOM 1093 O TYR A 66 5.042 1.473 6.310 1.00 5.24 O ATOM 1094 CB TYR A 66 6.460 4.355 7.238 1.00 33.24 C ATOM 1095 CG TYR A 66 5.179 4.375 8.060 1.00 53.44 C ATOM 1096 CD1 TYR A 66 4.147 5.257 7.760 1.00 62.23 C ATOM 1097 CD2 TYR A 66 5.014 3.523 9.151 1.00 20.33 C ATOM 1098 CE1 TYR A 66 2.991 5.290 8.520 1.00 14.31 C ATOM 1099 CE2 TYR A 66 3.864 3.553 9.914 1.00 61.21 C ATOM 1100 CZ TYR A 66 2.855 4.436 9.594 1.00 71.20 C ATOM 1101 OH TYR A 66 1.711 4.471 10.362 1.00 75.42 O ATOM 0 H TYR A 66 4.525 3.533 5.159 1.00 21.44 H new ATOM 0 HA TYR A 66 7.433 3.448 5.555 1.00 42.24 H new ATOM 0 HB2 TYR A 66 7.285 4.063 7.888 1.00 33.24 H new ATOM 0 HB3 TYR A 66 6.668 5.369 6.895 1.00 33.24 H new ATOM 0 HD1 TYR A 66 4.249 5.928 6.920 1.00 62.23 H new ATOM 0 HD2 TYR A 66 5.800 2.827 9.404 1.00 20.33 H new ATOM 0 HE1 TYR A 66 2.199 5.981 8.273 1.00 14.31 H new ATOM 0 HE2 TYR A 66 3.755 2.888 10.758 1.00 61.21 H new ATOM 0 HH TYR A 66 1.777 3.804 11.077 1.00 75.42 H new ATOM 1111 N GLN A 67 7.196 1.290 6.947 1.00 21.44 N ATOM 1112 CA GLN A 67 7.078 -0.109 7.368 1.00 32.30 C ATOM 1113 C GLN A 67 7.711 -0.317 8.758 1.00 22.42 C ATOM 1114 O GLN A 67 8.876 0.011 8.983 1.00 25.51 O ATOM 1115 CB GLN A 67 7.724 -1.021 6.309 1.00 4.42 C ATOM 1116 CG GLN A 67 9.204 -0.735 6.050 1.00 22.45 C ATOM 1117 CD GLN A 67 9.686 -1.274 4.709 1.00 3.20 C ATOM 1118 OE1 GLN A 67 9.686 -0.566 3.706 1.00 42.51 O ATOM 1119 NE2 GLN A 67 10.067 -2.534 4.670 1.00 14.44 N ATOM 0 H GLN A 67 8.126 1.688 7.076 1.00 21.44 H new ATOM 0 HA GLN A 67 6.024 -0.372 7.453 1.00 32.30 H new ATOM 0 HB2 GLN A 67 7.617 -2.058 6.626 1.00 4.42 H new ATOM 0 HB3 GLN A 67 7.176 -0.915 5.373 1.00 4.42 H new ATOM 0 HG2 GLN A 67 9.372 0.341 6.085 1.00 22.45 H new ATOM 0 HG3 GLN A 67 9.800 -1.177 6.849 1.00 22.45 H new ATOM 0 HE21 GLN A 67 10.056 -3.097 5.521 1.00 14.44 H new ATOM 0 HE22 GLN A 67 10.373 -2.947 3.789 1.00 14.44 H new ATOM 1128 N ASP A 68 6.928 -0.855 9.690 1.00 43.23 N ATOM 1129 CA ASP A 68 7.352 -0.989 11.089 1.00 62.21 C ATOM 1130 C ASP A 68 8.051 -2.333 11.370 1.00 11.12 C ATOM 1131 O ASP A 68 7.860 -3.318 10.656 1.00 72.14 O ATOM 1132 CB ASP A 68 6.135 -0.822 12.006 1.00 23.11 C ATOM 1133 CG ASP A 68 6.509 -0.884 13.472 1.00 43.11 C ATOM 1134 OD1 ASP A 68 7.005 0.123 14.009 1.00 10.11 O ATOM 1135 OD2 ASP A 68 6.337 -1.951 14.090 1.00 71.20 O ATOM 0 H ASP A 68 5.990 -1.209 9.504 1.00 43.23 H new ATOM 0 HA ASP A 68 8.084 -0.207 11.290 1.00 62.21 H new ATOM 0 HB2 ASP A 68 5.653 0.133 11.796 1.00 23.11 H new ATOM 0 HB3 ASP A 68 5.407 -1.602 11.786 1.00 23.11 H new ATOM 1140 N ASN A 69 8.832 -2.358 12.455 1.00 34.54 N ATOM 1141 CA ASN A 69 9.631 -3.530 12.845 1.00 32.13 C ATOM 1142 C ASN A 69 8.775 -4.784 13.111 1.00 75.33 C ATOM 1143 O ASN A 69 9.279 -5.903 13.055 1.00 20.20 O ATOM 1144 CB ASN A 69 10.456 -3.201 14.096 1.00 31.40 C ATOM 1145 CG ASN A 69 11.371 -2.007 13.884 1.00 60.33 C ATOM 1146 OD1 ASN A 69 12.513 -2.153 13.459 1.00 32.40 O ATOM 1147 ND2 ASN A 69 10.879 -0.819 14.179 1.00 11.10 N ATOM 0 H ASN A 69 8.930 -1.566 13.090 1.00 34.54 H new ATOM 0 HA ASN A 69 10.284 -3.760 12.003 1.00 32.13 H new ATOM 0 HB2 ASN A 69 9.783 -2.997 14.929 1.00 31.40 H new ATOM 0 HB3 ASN A 69 11.053 -4.069 14.374 1.00 31.40 H new ATOM 0 HD21 ASN A 69 11.453 0.015 14.056 1.00 11.10 H new ATOM 0 HD22 ASN A 69 9.925 -0.735 14.530 1.00 11.10 H new ATOM 1154 N THR A 70 7.490 -4.601 13.418 1.00 2.34 N ATOM 1155 CA THR A 70 6.594 -5.745 13.670 1.00 1.11 C ATOM 1156 C THR A 70 6.061 -6.352 12.361 1.00 21.31 C ATOM 1157 O THR A 70 5.251 -7.281 12.384 1.00 61.50 O ATOM 1158 CB THR A 70 5.391 -5.353 14.570 1.00 20.23 C ATOM 1159 OG1 THR A 70 4.696 -6.531 15.023 1.00 24.12 O ATOM 1160 CG2 THR A 70 4.410 -4.444 13.827 1.00 54.01 C ATOM 0 H THR A 70 7.045 -3.687 13.499 1.00 2.34 H new ATOM 0 HA THR A 70 7.198 -6.489 14.190 1.00 1.11 H new ATOM 0 HB THR A 70 5.789 -4.810 15.427 1.00 20.23 H new ATOM 0 HG1 THR A 70 4.714 -7.213 14.319 1.00 24.12 H new ATOM 0 HG21 THR A 70 3.580 -4.189 14.486 1.00 54.01 H new ATOM 0 HG22 THR A 70 4.921 -3.532 13.518 1.00 54.01 H new ATOM 0 HG23 THR A 70 4.029 -4.962 12.947 1.00 54.01 H new ATOM 1168 N GLY A 71 6.517 -5.821 11.225 1.00 34.02 N ATOM 1169 CA GLY A 71 6.036 -6.281 9.923 1.00 21.02 C ATOM 1170 C GLY A 71 4.781 -5.544 9.467 1.00 44.44 C ATOM 1171 O GLY A 71 3.989 -6.070 8.686 1.00 63.34 O ATOM 0 H GLY A 71 7.214 -5.077 11.181 1.00 34.02 H new ATOM 0 HA2 GLY A 71 6.822 -6.145 9.181 1.00 21.02 H new ATOM 0 HA3 GLY A 71 5.827 -7.350 9.974 1.00 21.02 H new ATOM 1175 N ARG A 72 4.594 -4.322 9.961 1.00 31.54 N ATOM 1176 CA ARG A 72 3.407 -3.520 9.635 1.00 30.02 C ATOM 1177 C ARG A 72 3.692 -2.516 8.509 1.00 4.31 C ATOM 1178 O ARG A 72 4.435 -1.557 8.698 1.00 45.04 O ATOM 1179 CB ARG A 72 2.921 -2.765 10.881 1.00 30.21 C ATOM 1180 CG ARG A 72 1.681 -1.907 10.637 1.00 13.13 C ATOM 1181 CD ARG A 72 1.346 -1.034 11.841 1.00 54.44 C ATOM 1182 NE ARG A 72 0.201 -0.167 11.580 1.00 32.04 N ATOM 1183 CZ ARG A 72 0.116 1.076 11.967 1.00 72.14 C ATOM 1184 NH1 ARG A 72 1.087 1.631 12.626 1.00 42.01 N ATOM 1185 NH2 ARG A 72 -0.944 1.760 11.694 1.00 64.13 N ATOM 0 H ARG A 72 5.250 -3.860 10.591 1.00 31.54 H new ATOM 0 HA ARG A 72 2.632 -4.206 9.292 1.00 30.02 H new ATOM 0 HB2 ARG A 72 2.703 -3.486 11.669 1.00 30.21 H new ATOM 0 HB3 ARG A 72 3.727 -2.128 11.245 1.00 30.21 H new ATOM 0 HG2 ARG A 72 1.844 -1.274 9.764 1.00 13.13 H new ATOM 0 HG3 ARG A 72 0.832 -2.552 10.409 1.00 13.13 H new ATOM 0 HD2 ARG A 72 1.133 -1.668 12.702 1.00 54.44 H new ATOM 0 HD3 ARG A 72 2.212 -0.425 12.100 1.00 54.44 H new ATOM 0 HE ARG A 72 -0.585 -0.559 11.061 1.00 32.04 H new ATOM 0 HH11 ARG A 72 1.926 1.095 12.846 1.00 42.01 H new ATOM 0 HH12 ARG A 72 1.011 2.603 12.924 1.00 42.01 H new ATOM 0 HH21 ARG A 72 -1.711 1.328 11.178 1.00 64.13 H new ATOM 0 HH22 ARG A 72 -1.015 2.732 11.994 1.00 64.13 H new ATOM 1199 N VAL A 73 3.094 -2.736 7.344 1.00 72.44 N ATOM 1200 CA VAL A 73 3.218 -1.799 6.223 1.00 14.41 C ATOM 1201 C VAL A 73 2.019 -0.839 6.194 1.00 41.43 C ATOM 1202 O VAL A 73 0.876 -1.267 6.346 1.00 45.33 O ATOM 1203 CB VAL A 73 3.312 -2.548 4.870 1.00 1.23 C ATOM 1204 CG1 VAL A 73 3.525 -1.571 3.717 1.00 74.33 C ATOM 1205 CG2 VAL A 73 4.427 -3.596 4.912 1.00 40.50 C ATOM 0 H VAL A 73 2.517 -3.554 7.146 1.00 72.44 H new ATOM 0 HA VAL A 73 4.137 -1.231 6.369 1.00 14.41 H new ATOM 0 HB VAL A 73 2.366 -3.062 4.700 1.00 1.23 H new ATOM 0 HG11 VAL A 73 3.587 -2.123 2.779 1.00 74.33 H new ATOM 0 HG12 VAL A 73 2.689 -0.873 3.672 1.00 74.33 H new ATOM 0 HG13 VAL A 73 4.451 -1.018 3.875 1.00 74.33 H new ATOM 0 HG21 VAL A 73 4.478 -4.112 3.953 1.00 40.50 H new ATOM 0 HG22 VAL A 73 5.380 -3.106 5.111 1.00 40.50 H new ATOM 0 HG23 VAL A 73 4.218 -4.318 5.702 1.00 40.50 H new ATOM 1215 N THR A 74 2.279 0.458 6.021 1.00 11.43 N ATOM 1216 CA THR A 74 1.206 1.467 6.053 1.00 4.33 C ATOM 1217 C THR A 74 1.360 2.522 4.948 1.00 30.31 C ATOM 1218 O THR A 74 2.351 3.255 4.907 1.00 61.42 O ATOM 1219 CB THR A 74 1.157 2.181 7.425 1.00 74.44 C ATOM 1220 OG1 THR A 74 1.039 1.211 8.479 1.00 73.01 O ATOM 1221 CG2 THR A 74 -0.015 3.158 7.502 1.00 72.52 C ATOM 0 H THR A 74 3.212 0.837 5.859 1.00 11.43 H new ATOM 0 HA THR A 74 0.275 0.926 5.883 1.00 4.33 H new ATOM 0 HB THR A 74 2.083 2.744 7.542 1.00 74.44 H new ATOM 0 HG1 THR A 74 1.010 1.670 9.344 1.00 73.01 H new ATOM 0 HG21 THR A 74 -0.021 3.643 8.478 1.00 72.52 H new ATOM 0 HG22 THR A 74 0.089 3.913 6.723 1.00 72.52 H new ATOM 0 HG23 THR A 74 -0.950 2.616 7.360 1.00 72.52 H new ATOM 1229 N LEU A 75 0.372 2.592 4.054 1.00 34.32 N ATOM 1230 CA LEU A 75 0.339 3.605 2.986 1.00 51.33 C ATOM 1231 C LEU A 75 -0.632 4.749 3.335 1.00 51.13 C ATOM 1232 O LEU A 75 -1.785 4.507 3.691 1.00 11.32 O ATOM 1233 CB LEU A 75 -0.086 2.958 1.659 1.00 74.24 C ATOM 1234 CG LEU A 75 -0.182 3.919 0.456 1.00 53.02 C ATOM 1235 CD1 LEU A 75 1.178 4.536 0.141 1.00 71.14 C ATOM 1236 CD2 LEU A 75 -0.749 3.205 -0.771 1.00 1.33 C ATOM 0 H LEU A 75 -0.425 1.955 4.045 1.00 34.32 H new ATOM 0 HA LEU A 75 1.342 4.021 2.886 1.00 51.33 H new ATOM 0 HB2 LEU A 75 0.624 2.168 1.416 1.00 74.24 H new ATOM 0 HB3 LEU A 75 -1.056 2.482 1.801 1.00 74.24 H new ATOM 0 HG LEU A 75 -0.866 4.724 0.725 1.00 53.02 H new ATOM 0 HD11 LEU A 75 1.083 5.209 -0.711 1.00 71.14 H new ATOM 0 HD12 LEU A 75 1.534 5.094 1.007 1.00 71.14 H new ATOM 0 HD13 LEU A 75 1.889 3.746 -0.099 1.00 71.14 H new ATOM 0 HD21 LEU A 75 -0.806 3.905 -1.605 1.00 1.33 H new ATOM 0 HD22 LEU A 75 -0.099 2.372 -1.040 1.00 1.33 H new ATOM 0 HD23 LEU A 75 -1.746 2.828 -0.544 1.00 1.33 H new ATOM 1248 N LEU A 76 -0.162 5.992 3.218 1.00 21.41 N ATOM 1249 CA LEU A 76 -0.976 7.177 3.530 1.00 11.15 C ATOM 1250 C LEU A 76 -1.338 7.960 2.256 1.00 41.31 C ATOM 1251 O LEU A 76 -0.465 8.279 1.446 1.00 44.31 O ATOM 1252 CB LEU A 76 -0.208 8.101 4.492 1.00 72.22 C ATOM 1253 CG LEU A 76 0.320 7.440 5.778 1.00 61.03 C ATOM 1254 CD1 LEU A 76 1.144 8.435 6.594 1.00 13.32 C ATOM 1255 CD2 LEU A 76 -0.830 6.884 6.612 1.00 23.11 C ATOM 0 H LEU A 76 0.785 6.209 2.907 1.00 21.41 H new ATOM 0 HA LEU A 76 -1.898 6.834 3.999 1.00 11.15 H new ATOM 0 HB2 LEU A 76 0.637 8.532 3.955 1.00 72.22 H new ATOM 0 HB3 LEU A 76 -0.862 8.926 4.773 1.00 72.22 H new ATOM 0 HG LEU A 76 0.966 6.610 5.494 1.00 61.03 H new ATOM 0 HD11 LEU A 76 1.509 7.949 7.499 1.00 13.32 H new ATOM 0 HD12 LEU A 76 1.991 8.779 6.000 1.00 13.32 H new ATOM 0 HD13 LEU A 76 0.521 9.287 6.865 1.00 13.32 H new ATOM 0 HD21 LEU A 76 -0.434 6.422 7.516 1.00 23.11 H new ATOM 0 HD22 LEU A 76 -1.506 7.694 6.885 1.00 23.11 H new ATOM 0 HD23 LEU A 76 -1.373 6.138 6.031 1.00 23.11 H new ATOM 1267 N ILE A 77 -2.627 8.265 2.087 1.00 3.33 N ATOM 1268 CA ILE A 77 -3.108 9.046 0.936 1.00 51.35 C ATOM 1269 C ILE A 77 -4.023 10.196 1.399 1.00 31.52 C ATOM 1270 O ILE A 77 -5.112 9.964 1.925 1.00 70.42 O ATOM 1271 CB ILE A 77 -3.877 8.148 -0.072 1.00 32.11 C ATOM 1272 CG1 ILE A 77 -2.990 6.971 -0.523 1.00 42.41 C ATOM 1273 CG2 ILE A 77 -4.347 8.966 -1.278 1.00 42.42 C ATOM 1274 CD1 ILE A 77 -3.666 6.007 -1.477 1.00 43.40 C ATOM 0 H ILE A 77 -3.363 7.983 2.735 1.00 3.33 H new ATOM 0 HA ILE A 77 -2.233 9.462 0.438 1.00 51.35 H new ATOM 0 HB ILE A 77 -4.759 7.745 0.426 1.00 32.11 H new ATOM 0 HG12 ILE A 77 -2.095 7.369 -1.001 1.00 42.41 H new ATOM 0 HG13 ILE A 77 -2.662 6.420 0.359 1.00 42.41 H new ATOM 0 HG21 ILE A 77 -4.883 8.317 -1.971 1.00 42.42 H new ATOM 0 HG22 ILE A 77 -5.009 9.763 -0.941 1.00 42.42 H new ATOM 0 HG23 ILE A 77 -3.484 9.400 -1.782 1.00 42.42 H new ATOM 0 HD11 ILE A 77 -2.971 5.211 -1.743 1.00 43.40 H new ATOM 0 HD12 ILE A 77 -4.545 5.576 -0.997 1.00 43.40 H new ATOM 0 HD13 ILE A 77 -3.969 6.540 -2.378 1.00 43.40 H new ATOM 1286 N LYS A 78 -3.561 11.433 1.219 1.00 61.14 N ATOM 1287 CA LYS A 78 -4.318 12.628 1.628 1.00 2.32 C ATOM 1288 C LYS A 78 -4.770 13.465 0.418 1.00 12.51 C ATOM 1289 O LYS A 78 -4.205 13.346 -0.672 1.00 71.31 O ATOM 1290 CB LYS A 78 -3.459 13.515 2.544 1.00 23.14 C ATOM 1291 CG LYS A 78 -2.929 12.816 3.791 1.00 25.21 C ATOM 1292 CD LYS A 78 -2.073 13.762 4.628 1.00 15.55 C ATOM 1293 CE LYS A 78 -1.502 13.083 5.866 1.00 60.53 C ATOM 1294 NZ LYS A 78 -0.741 14.039 6.717 1.00 1.42 N ATOM 0 H LYS A 78 -2.659 11.640 0.790 1.00 61.14 H new ATOM 0 HA LYS A 78 -5.203 12.277 2.159 1.00 2.32 H new ATOM 0 HB2 LYS A 78 -2.614 13.896 1.970 1.00 23.14 H new ATOM 0 HB3 LYS A 78 -4.050 14.378 2.851 1.00 23.14 H new ATOM 0 HG2 LYS A 78 -3.764 12.450 4.389 1.00 25.21 H new ATOM 0 HG3 LYS A 78 -2.339 11.946 3.501 1.00 25.21 H new ATOM 0 HD2 LYS A 78 -1.256 14.145 4.017 1.00 15.55 H new ATOM 0 HD3 LYS A 78 -2.674 14.620 4.931 1.00 15.55 H new ATOM 0 HE2 LYS A 78 -2.313 12.644 6.447 1.00 60.53 H new ATOM 0 HE3 LYS A 78 -0.848 12.265 5.564 1.00 60.53 H new ATOM 0 HZ1 LYS A 78 -0.367 13.541 7.550 1.00 1.42 H new ATOM 0 HZ2 LYS A 78 0.048 14.439 6.170 1.00 1.42 H new ATOM 0 HZ3 LYS A 78 -1.371 14.806 7.026 1.00 1.42 H new ATOM 1308 N ASP A 79 -5.788 14.312 0.630 1.00 71.12 N ATOM 1309 CA ASP A 79 -6.203 15.321 -0.362 1.00 72.21 C ATOM 1310 C ASP A 79 -6.541 14.672 -1.722 1.00 22.11 C ATOM 1311 O ASP A 79 -6.367 15.274 -2.781 1.00 12.34 O ATOM 1312 CB ASP A 79 -5.074 16.367 -0.503 1.00 31.23 C ATOM 1313 CG ASP A 79 -5.520 17.676 -1.143 1.00 52.24 C ATOM 1314 OD1 ASP A 79 -6.483 18.293 -0.646 1.00 62.11 O ATOM 1315 OD2 ASP A 79 -4.887 18.112 -2.128 1.00 21.34 O ATOM 0 H ASP A 79 -6.344 14.319 1.485 1.00 71.12 H new ATOM 0 HA ASP A 79 -7.114 15.812 -0.019 1.00 72.21 H new ATOM 0 HB2 ASP A 79 -4.663 16.578 0.484 1.00 31.23 H new ATOM 0 HB3 ASP A 79 -4.268 15.939 -1.099 1.00 31.23 H new ATOM 1320 N VAL A 80 -7.064 13.447 -1.674 1.00 24.10 N ATOM 1321 CA VAL A 80 -7.308 12.657 -2.887 1.00 73.54 C ATOM 1322 C VAL A 80 -8.672 12.992 -3.532 1.00 74.24 C ATOM 1323 O VAL A 80 -9.653 13.265 -2.839 1.00 63.14 O ATOM 1324 CB VAL A 80 -7.236 11.137 -2.569 1.00 23.32 C ATOM 1325 CG1 VAL A 80 -8.495 10.660 -1.855 1.00 52.24 C ATOM 1326 CG2 VAL A 80 -6.991 10.316 -3.830 1.00 15.12 C ATOM 0 H VAL A 80 -7.328 12.977 -0.808 1.00 24.10 H new ATOM 0 HA VAL A 80 -6.527 12.917 -3.602 1.00 73.54 H new ATOM 0 HB VAL A 80 -6.389 10.987 -1.899 1.00 23.32 H new ATOM 0 HG11 VAL A 80 -8.413 9.593 -1.647 1.00 52.24 H new ATOM 0 HG12 VAL A 80 -8.610 11.205 -0.918 1.00 52.24 H new ATOM 0 HG13 VAL A 80 -9.363 10.840 -2.489 1.00 52.24 H new ATOM 0 HG21 VAL A 80 -6.946 9.258 -3.572 1.00 15.12 H new ATOM 0 HG22 VAL A 80 -7.804 10.483 -4.537 1.00 15.12 H new ATOM 0 HG23 VAL A 80 -6.048 10.619 -4.284 1.00 15.12 H new ATOM 1336 N ASN A 81 -8.723 12.983 -4.864 1.00 72.13 N ATOM 1337 CA ASN A 81 -9.967 13.252 -5.607 1.00 63.02 C ATOM 1338 C ASN A 81 -10.326 12.093 -6.565 1.00 23.03 C ATOM 1339 O ASN A 81 -9.568 11.132 -6.692 1.00 72.11 O ATOM 1340 CB ASN A 81 -9.840 14.583 -6.367 1.00 52.32 C ATOM 1341 CG ASN A 81 -8.543 14.697 -7.153 1.00 64.11 C ATOM 1342 OD1 ASN A 81 -7.525 15.136 -6.633 1.00 4.42 O ATOM 1343 ND2 ASN A 81 -8.574 14.327 -8.416 1.00 42.04 N ATOM 0 H ASN A 81 -7.916 12.792 -5.458 1.00 72.13 H new ATOM 0 HA ASN A 81 -10.784 13.331 -4.890 1.00 63.02 H new ATOM 0 HB2 ASN A 81 -10.683 14.687 -7.050 1.00 52.32 H new ATOM 0 HB3 ASN A 81 -9.902 15.408 -5.657 1.00 52.32 H new ATOM 0 HD21 ASN A 81 -7.734 14.402 -8.990 1.00 42.04 H new ATOM 0 HD22 ASN A 81 -9.438 13.965 -8.820 1.00 42.04 H new ATOM 1350 N LYS A 82 -11.488 12.192 -7.235 1.00 4.24 N ATOM 1351 CA LYS A 82 -11.972 11.143 -8.167 1.00 55.25 C ATOM 1352 C LYS A 82 -10.875 10.607 -9.099 1.00 21.12 C ATOM 1353 O LYS A 82 -10.706 9.392 -9.244 1.00 61.40 O ATOM 1354 CB LYS A 82 -13.131 11.674 -9.027 1.00 51.35 C ATOM 1355 CG LYS A 82 -14.456 11.838 -8.289 1.00 31.10 C ATOM 1356 CD LYS A 82 -15.054 10.478 -7.930 1.00 24.41 C ATOM 1357 CE LYS A 82 -16.558 10.548 -7.710 1.00 31.35 C ATOM 1358 NZ LYS A 82 -17.152 9.195 -7.540 1.00 41.32 N ATOM 0 H LYS A 82 -12.117 12.991 -7.151 1.00 4.24 H new ATOM 0 HA LYS A 82 -12.308 10.320 -7.537 1.00 55.25 H new ATOM 0 HB2 LYS A 82 -12.842 12.639 -9.444 1.00 51.35 H new ATOM 0 HB3 LYS A 82 -13.281 10.996 -9.867 1.00 51.35 H new ATOM 0 HG2 LYS A 82 -14.301 12.422 -7.382 1.00 31.10 H new ATOM 0 HG3 LYS A 82 -15.157 12.395 -8.911 1.00 31.10 H new ATOM 0 HD2 LYS A 82 -14.838 9.767 -8.728 1.00 24.41 H new ATOM 0 HD3 LYS A 82 -14.574 10.100 -7.027 1.00 24.41 H new ATOM 0 HE2 LYS A 82 -16.769 11.152 -6.827 1.00 31.35 H new ATOM 0 HE3 LYS A 82 -17.027 11.048 -8.558 1.00 31.35 H new ATOM 0 HZ1 LYS A 82 -18.134 9.286 -7.210 1.00 41.32 H new ATOM 0 HZ2 LYS A 82 -17.138 8.693 -8.451 1.00 41.32 H new ATOM 0 HZ3 LYS A 82 -16.600 8.659 -6.841 1.00 41.32 H new ATOM 1372 N LYS A 83 -10.153 11.519 -9.738 1.00 1.51 N ATOM 1373 CA LYS A 83 -9.101 11.159 -10.700 1.00 53.45 C ATOM 1374 C LYS A 83 -8.066 10.183 -10.111 1.00 43.22 C ATOM 1375 O LYS A 83 -7.486 9.373 -10.837 1.00 13.05 O ATOM 1376 CB LYS A 83 -8.394 12.429 -11.190 1.00 31.23 C ATOM 1377 CG LYS A 83 -9.315 13.426 -11.887 1.00 4.44 C ATOM 1378 CD LYS A 83 -9.879 12.872 -13.196 1.00 73.41 C ATOM 1379 CE LYS A 83 -8.787 12.632 -14.232 1.00 75.33 C ATOM 1380 NZ LYS A 83 -8.051 13.880 -14.578 1.00 3.34 N ATOM 0 H LYS A 83 -10.273 12.524 -9.610 1.00 1.51 H new ATOM 0 HA LYS A 83 -9.586 10.649 -11.533 1.00 53.45 H new ATOM 0 HB2 LYS A 83 -7.922 12.920 -10.339 1.00 31.23 H new ATOM 0 HB3 LYS A 83 -7.597 12.146 -11.877 1.00 31.23 H new ATOM 0 HG2 LYS A 83 -10.137 13.686 -11.220 1.00 4.44 H new ATOM 0 HG3 LYS A 83 -8.766 14.345 -12.090 1.00 4.44 H new ATOM 0 HD2 LYS A 83 -10.403 11.937 -12.998 1.00 73.41 H new ATOM 0 HD3 LYS A 83 -10.613 13.570 -13.598 1.00 73.41 H new ATOM 0 HE2 LYS A 83 -8.084 11.892 -13.850 1.00 75.33 H new ATOM 0 HE3 LYS A 83 -9.232 12.213 -15.135 1.00 75.33 H new ATOM 0 HZ1 LYS A 83 -7.478 13.720 -15.431 1.00 3.34 H new ATOM 0 HZ2 LYS A 83 -8.731 14.646 -14.757 1.00 3.34 H new ATOM 0 HZ3 LYS A 83 -7.429 14.146 -13.788 1.00 3.34 H new ATOM 1394 N ASP A 84 -7.851 10.257 -8.798 1.00 52.53 N ATOM 1395 CA ASP A 84 -6.824 9.451 -8.131 1.00 41.02 C ATOM 1396 C ASP A 84 -7.354 8.117 -7.575 1.00 31.32 C ATOM 1397 O ASP A 84 -6.588 7.345 -6.992 1.00 3.12 O ATOM 1398 CB ASP A 84 -6.165 10.256 -7.007 1.00 52.33 C ATOM 1399 CG ASP A 84 -5.251 11.335 -7.547 1.00 72.23 C ATOM 1400 OD1 ASP A 84 -4.111 11.001 -7.944 1.00 65.14 O ATOM 1401 OD2 ASP A 84 -5.658 12.515 -7.588 1.00 34.12 O ATOM 0 H ASP A 84 -8.375 10.868 -8.172 1.00 52.53 H new ATOM 0 HA ASP A 84 -6.089 9.201 -8.896 1.00 41.02 H new ATOM 0 HB2 ASP A 84 -6.936 10.711 -6.386 1.00 52.33 H new ATOM 0 HB3 ASP A 84 -5.594 9.584 -6.366 1.00 52.33 H new ATOM 1406 N ALA A 85 -8.646 7.835 -7.740 1.00 33.22 N ATOM 1407 CA ALA A 85 -9.193 6.554 -7.274 1.00 52.41 C ATOM 1408 C ALA A 85 -8.932 5.446 -8.302 1.00 43.43 C ATOM 1409 O ALA A 85 -9.020 5.672 -9.512 1.00 10.23 O ATOM 1410 CB ALA A 85 -10.689 6.682 -7.007 1.00 44.23 C ATOM 0 H ALA A 85 -9.323 8.457 -8.182 1.00 33.22 H new ATOM 0 HA ALA A 85 -8.691 6.287 -6.344 1.00 52.41 H new ATOM 0 HB1 ALA A 85 -11.080 5.725 -6.662 1.00 44.23 H new ATOM 0 HB2 ALA A 85 -10.859 7.440 -6.242 1.00 44.23 H new ATOM 0 HB3 ALA A 85 -11.199 6.973 -7.925 1.00 44.23 H new ATOM 1416 N GLY A 86 -8.639 4.241 -7.820 1.00 1.10 N ATOM 1417 CA GLY A 86 -8.315 3.144 -8.725 1.00 74.15 C ATOM 1418 C GLY A 86 -7.955 1.847 -8.013 1.00 23.22 C ATOM 1419 O GLY A 86 -8.082 1.732 -6.790 1.00 42.20 O ATOM 0 H GLY A 86 -8.619 4.003 -6.828 1.00 1.10 H new ATOM 0 HA2 GLY A 86 -9.166 2.963 -9.381 1.00 74.15 H new ATOM 0 HA3 GLY A 86 -7.481 3.443 -9.360 1.00 74.15 H new ATOM 1423 N TRP A 87 -7.504 0.866 -8.791 1.00 32.14 N ATOM 1424 CA TRP A 87 -6.950 -0.372 -8.243 1.00 75.51 C ATOM 1425 C TRP A 87 -5.450 -0.222 -7.939 1.00 73.05 C ATOM 1426 O TRP A 87 -4.639 0.013 -8.839 1.00 51.44 O ATOM 1427 CB TRP A 87 -7.164 -1.539 -9.218 1.00 32.44 C ATOM 1428 CG TRP A 87 -8.561 -2.096 -9.202 1.00 41.11 C ATOM 1429 CD1 TRP A 87 -9.629 -1.682 -9.948 1.00 62.24 C ATOM 1430 CD2 TRP A 87 -9.032 -3.179 -8.393 1.00 42.30 C ATOM 1431 NE1 TRP A 87 -10.732 -2.444 -9.650 1.00 31.44 N ATOM 1432 CE2 TRP A 87 -10.392 -3.370 -8.699 1.00 31.40 C ATOM 1433 CE3 TRP A 87 -8.433 -4.006 -7.439 1.00 22.34 C ATOM 1434 CZ2 TRP A 87 -11.162 -4.353 -8.086 1.00 4.02 C ATOM 1435 CZ3 TRP A 87 -9.198 -4.983 -6.831 1.00 40.33 C ATOM 1436 CH2 TRP A 87 -10.551 -5.150 -7.155 1.00 3.12 C ATOM 0 H TRP A 87 -7.511 0.904 -9.810 1.00 32.14 H new ATOM 0 HA TRP A 87 -7.475 -0.583 -7.311 1.00 75.51 H new ATOM 0 HB2 TRP A 87 -6.928 -1.204 -10.228 1.00 32.44 H new ATOM 0 HB3 TRP A 87 -6.462 -2.337 -8.975 1.00 32.44 H new ATOM 0 HD1 TRP A 87 -9.608 -0.875 -10.666 1.00 62.24 H new ATOM 0 HE1 TRP A 87 -11.656 -2.338 -10.069 1.00 31.44 H new ATOM 0 HE3 TRP A 87 -7.391 -3.884 -7.182 1.00 22.34 H new ATOM 0 HZ2 TRP A 87 -12.205 -4.483 -8.335 1.00 4.02 H new ATOM 0 HZ3 TRP A 87 -8.745 -5.629 -6.093 1.00 40.33 H new ATOM 0 HH2 TRP A 87 -11.123 -5.922 -6.661 1.00 3.12 H new ATOM 1447 N TYR A 88 -5.096 -0.355 -6.666 1.00 21.15 N ATOM 1448 CA TYR A 88 -3.693 -0.332 -6.234 1.00 14.13 C ATOM 1449 C TYR A 88 -3.132 -1.758 -6.132 1.00 72.43 C ATOM 1450 O TYR A 88 -3.867 -2.715 -5.887 1.00 54.13 O ATOM 1451 CB TYR A 88 -3.557 0.371 -4.873 1.00 24.51 C ATOM 1452 CG TYR A 88 -3.842 1.863 -4.904 1.00 0.55 C ATOM 1453 CD1 TYR A 88 -5.142 2.346 -5.024 1.00 13.12 C ATOM 1454 CD2 TYR A 88 -2.808 2.790 -4.802 1.00 43.14 C ATOM 1455 CE1 TYR A 88 -5.399 3.704 -5.045 1.00 53.24 C ATOM 1456 CE2 TYR A 88 -3.059 4.147 -4.820 1.00 44.00 C ATOM 1457 CZ TYR A 88 -4.355 4.600 -4.941 1.00 42.15 C ATOM 1458 OH TYR A 88 -4.606 5.954 -4.967 1.00 45.01 O ATOM 0 H TYR A 88 -5.763 -0.481 -5.905 1.00 21.15 H new ATOM 0 HA TYR A 88 -3.123 0.221 -6.980 1.00 14.13 H new ATOM 0 HB2 TYR A 88 -4.237 -0.102 -4.165 1.00 24.51 H new ATOM 0 HB3 TYR A 88 -2.546 0.215 -4.497 1.00 24.51 H new ATOM 0 HD1 TYR A 88 -5.963 1.649 -5.102 1.00 13.12 H new ATOM 0 HD2 TYR A 88 -1.791 2.441 -4.707 1.00 43.14 H new ATOM 0 HE1 TYR A 88 -6.413 4.062 -5.142 1.00 53.24 H new ATOM 0 HE2 TYR A 88 -2.244 4.851 -4.740 1.00 44.00 H new ATOM 0 HH TYR A 88 -5.275 6.149 -5.656 1.00 45.01 H new ATOM 1468 N THR A 89 -1.828 -1.897 -6.325 1.00 4.05 N ATOM 1469 CA THR A 89 -1.166 -3.204 -6.226 1.00 13.30 C ATOM 1470 C THR A 89 0.136 -3.093 -5.425 1.00 54.31 C ATOM 1471 O THR A 89 0.964 -2.222 -5.694 1.00 63.42 O ATOM 1472 CB THR A 89 -0.849 -3.787 -7.627 1.00 63.03 C ATOM 1473 OG1 THR A 89 -2.049 -3.854 -8.414 1.00 25.21 O ATOM 1474 CG2 THR A 89 -0.234 -5.179 -7.520 1.00 73.43 C ATOM 0 H THR A 89 -1.201 -1.125 -6.551 1.00 4.05 H new ATOM 0 HA THR A 89 -1.856 -3.874 -5.713 1.00 13.30 H new ATOM 0 HB THR A 89 -0.128 -3.127 -8.109 1.00 63.03 H new ATOM 0 HG1 THR A 89 -1.840 -4.222 -9.298 1.00 25.21 H new ATOM 0 HG21 THR A 89 -0.023 -5.561 -8.519 1.00 73.43 H new ATOM 0 HG22 THR A 89 0.693 -5.124 -6.949 1.00 73.43 H new ATOM 0 HG23 THR A 89 -0.932 -5.847 -7.016 1.00 73.43 H new ATOM 1482 N VAL A 90 0.310 -3.968 -4.437 1.00 72.32 N ATOM 1483 CA VAL A 90 1.522 -3.974 -3.610 1.00 44.45 C ATOM 1484 C VAL A 90 2.387 -5.219 -3.873 1.00 41.31 C ATOM 1485 O VAL A 90 1.907 -6.354 -3.810 1.00 45.31 O ATOM 1486 CB VAL A 90 1.177 -3.884 -2.098 1.00 33.10 C ATOM 1487 CG1 VAL A 90 0.225 -5.002 -1.678 1.00 45.11 C ATOM 1488 CG2 VAL A 90 2.450 -3.901 -1.247 1.00 44.33 C ATOM 0 H VAL A 90 -0.372 -4.684 -4.187 1.00 72.32 H new ATOM 0 HA VAL A 90 2.096 -3.091 -3.892 1.00 44.45 H new ATOM 0 HB VAL A 90 0.668 -2.935 -1.929 1.00 33.10 H new ATOM 0 HG11 VAL A 90 0.003 -4.911 -0.615 1.00 45.11 H new ATOM 0 HG12 VAL A 90 -0.700 -4.926 -2.249 1.00 45.11 H new ATOM 0 HG13 VAL A 90 0.691 -5.968 -1.870 1.00 45.11 H new ATOM 0 HG21 VAL A 90 2.183 -3.837 -0.192 1.00 44.33 H new ATOM 0 HG22 VAL A 90 2.996 -4.827 -1.428 1.00 44.33 H new ATOM 0 HG23 VAL A 90 3.078 -3.051 -1.515 1.00 44.33 H new ATOM 1498 N SER A 91 3.661 -4.992 -4.177 1.00 52.14 N ATOM 1499 CA SER A 91 4.618 -6.080 -4.413 1.00 3.23 C ATOM 1500 C SER A 91 5.769 -6.020 -3.403 1.00 61.14 C ATOM 1501 O SER A 91 6.502 -5.033 -3.349 1.00 31.11 O ATOM 1502 CB SER A 91 5.191 -5.999 -5.836 1.00 52.13 C ATOM 1503 OG SER A 91 4.166 -6.054 -6.819 1.00 52.00 O ATOM 0 H SER A 91 4.062 -4.058 -4.267 1.00 52.14 H new ATOM 0 HA SER A 91 4.084 -7.022 -4.292 1.00 3.23 H new ATOM 0 HB2 SER A 91 5.755 -5.073 -5.949 1.00 52.13 H new ATOM 0 HB3 SER A 91 5.891 -6.819 -5.994 1.00 52.13 H new ATOM 0 HG SER A 91 4.566 -5.998 -7.712 1.00 52.00 H new ATOM 1509 N ALA A 92 5.917 -7.070 -2.600 1.00 41.40 N ATOM 1510 CA ALA A 92 7.009 -7.151 -1.622 1.00 2.33 C ATOM 1511 C ALA A 92 8.050 -8.197 -2.047 1.00 24.45 C ATOM 1512 O ALA A 92 7.756 -9.396 -2.091 1.00 64.13 O ATOM 1513 CB ALA A 92 6.448 -7.484 -0.242 1.00 54.34 C ATOM 0 H ALA A 92 5.296 -7.879 -2.604 1.00 41.40 H new ATOM 0 HA ALA A 92 7.506 -6.182 -1.577 1.00 2.33 H new ATOM 0 HB1 ALA A 92 7.264 -7.542 0.478 1.00 54.34 H new ATOM 0 HB2 ALA A 92 5.749 -6.706 0.064 1.00 54.34 H new ATOM 0 HB3 ALA A 92 5.930 -8.442 -0.281 1.00 54.34 H new ATOM 1519 N VAL A 93 9.272 -7.748 -2.347 1.00 63.34 N ATOM 1520 CA VAL A 93 10.323 -8.648 -2.847 1.00 74.03 C ATOM 1521 C VAL A 93 11.478 -8.838 -1.840 1.00 64.42 C ATOM 1522 O VAL A 93 12.163 -7.888 -1.455 1.00 4.21 O ATOM 1523 CB VAL A 93 10.885 -8.161 -4.212 1.00 43.13 C ATOM 1524 CG1 VAL A 93 11.474 -6.758 -4.107 1.00 2.54 C ATOM 1525 CG2 VAL A 93 11.919 -9.150 -4.759 1.00 61.22 C ATOM 0 H VAL A 93 9.560 -6.774 -2.254 1.00 63.34 H new ATOM 0 HA VAL A 93 9.845 -9.618 -2.985 1.00 74.03 H new ATOM 0 HB VAL A 93 10.052 -8.114 -4.914 1.00 43.13 H new ATOM 0 HG11 VAL A 93 11.857 -6.451 -5.080 1.00 2.54 H new ATOM 0 HG12 VAL A 93 10.700 -6.061 -3.785 1.00 2.54 H new ATOM 0 HG13 VAL A 93 12.287 -6.758 -3.381 1.00 2.54 H new ATOM 0 HG21 VAL A 93 12.298 -8.788 -5.715 1.00 61.22 H new ATOM 0 HG22 VAL A 93 12.744 -9.242 -4.052 1.00 61.22 H new ATOM 0 HG23 VAL A 93 11.451 -10.125 -4.900 1.00 61.22 H new ATOM 1535 N ASN A 94 11.646 -10.080 -1.392 1.00 23.13 N ATOM 1536 CA ASN A 94 12.781 -10.494 -0.556 1.00 4.12 C ATOM 1537 C ASN A 94 13.679 -11.459 -1.360 1.00 53.32 C ATOM 1538 O ASN A 94 13.200 -12.122 -2.285 1.00 14.44 O ATOM 1539 CB ASN A 94 12.237 -11.175 0.717 1.00 30.13 C ATOM 1540 CG ASN A 94 13.305 -11.547 1.738 1.00 3.34 C ATOM 1541 OD1 ASN A 94 14.439 -11.846 1.403 1.00 25.41 O ATOM 1542 ND2 ASN A 94 12.941 -11.549 3.002 1.00 11.32 N ATOM 0 H ASN A 94 10.995 -10.838 -1.598 1.00 23.13 H new ATOM 0 HA ASN A 94 13.379 -9.631 -0.265 1.00 4.12 H new ATOM 0 HB2 ASN A 94 11.516 -10.509 1.190 1.00 30.13 H new ATOM 0 HB3 ASN A 94 11.697 -12.077 0.429 1.00 30.13 H new ATOM 0 HD21 ASN A 94 13.613 -11.804 3.726 1.00 11.32 H new ATOM 0 HD22 ASN A 94 11.987 -11.295 3.258 1.00 11.32 H new ATOM 1549 N GLU A 95 14.965 -11.547 -1.022 1.00 70.45 N ATOM 1550 CA GLU A 95 15.866 -12.502 -1.688 1.00 51.55 C ATOM 1551 C GLU A 95 15.349 -13.946 -1.532 1.00 60.45 C ATOM 1552 O GLU A 95 15.565 -14.796 -2.394 1.00 44.02 O ATOM 1553 CB GLU A 95 17.295 -12.382 -1.130 1.00 11.14 C ATOM 1554 CG GLU A 95 17.424 -12.724 0.353 1.00 11.24 C ATOM 1555 CD GLU A 95 18.851 -12.583 0.865 1.00 22.54 C ATOM 1556 OE1 GLU A 95 19.629 -13.556 0.759 1.00 54.13 O ATOM 1557 OE2 GLU A 95 19.203 -11.494 1.362 1.00 31.20 O ATOM 0 H GLU A 95 15.408 -10.978 -0.300 1.00 70.45 H new ATOM 0 HA GLU A 95 15.888 -12.259 -2.750 1.00 51.55 H new ATOM 0 HB2 GLU A 95 17.951 -13.039 -1.700 1.00 11.14 H new ATOM 0 HB3 GLU A 95 17.649 -11.363 -1.288 1.00 11.14 H new ATOM 0 HG2 GLU A 95 16.769 -12.072 0.931 1.00 11.24 H new ATOM 0 HG3 GLU A 95 17.082 -13.746 0.517 1.00 11.24 H new ATOM 1564 N ALA A 96 14.661 -14.205 -0.419 1.00 11.02 N ATOM 1565 CA ALA A 96 14.054 -15.515 -0.154 1.00 52.11 C ATOM 1566 C ALA A 96 12.830 -15.791 -1.050 1.00 25.11 C ATOM 1567 O ALA A 96 12.518 -16.945 -1.348 1.00 22.43 O ATOM 1568 CB ALA A 96 13.664 -15.614 1.316 1.00 23.24 C ATOM 0 H ALA A 96 14.508 -13.520 0.321 1.00 11.02 H new ATOM 0 HA ALA A 96 14.799 -16.274 -0.392 1.00 52.11 H new ATOM 0 HB1 ALA A 96 13.214 -16.588 1.508 1.00 23.24 H new ATOM 0 HB2 ALA A 96 14.552 -15.496 1.937 1.00 23.24 H new ATOM 0 HB3 ALA A 96 12.947 -14.829 1.556 1.00 23.24 H new ATOM 1574 N GLY A 97 12.138 -14.732 -1.471 1.00 32.34 N ATOM 1575 CA GLY A 97 10.931 -14.893 -2.283 1.00 54.21 C ATOM 1576 C GLY A 97 10.133 -13.597 -2.436 1.00 55.22 C ATOM 1577 O GLY A 97 10.482 -12.576 -1.845 1.00 72.13 O ATOM 0 H GLY A 97 12.388 -13.764 -1.267 1.00 32.34 H new ATOM 0 HA2 GLY A 97 11.211 -15.259 -3.271 1.00 54.21 H new ATOM 0 HA3 GLY A 97 10.294 -15.653 -1.830 1.00 54.21 H new ATOM 1581 N VAL A 98 9.049 -13.635 -3.212 1.00 63.03 N ATOM 1582 CA VAL A 98 8.238 -12.433 -3.473 1.00 15.01 C ATOM 1583 C VAL A 98 6.736 -12.698 -3.258 1.00 43.51 C ATOM 1584 O VAL A 98 6.268 -13.826 -3.401 1.00 33.35 O ATOM 1585 CB VAL A 98 8.470 -11.915 -4.920 1.00 71.11 C ATOM 1586 CG1 VAL A 98 8.006 -12.943 -5.953 1.00 12.31 C ATOM 1587 CG2 VAL A 98 7.783 -10.563 -5.146 1.00 74.24 C ATOM 0 H VAL A 98 8.709 -14.479 -3.672 1.00 63.03 H new ATOM 0 HA VAL A 98 8.558 -11.673 -2.760 1.00 15.01 H new ATOM 0 HB VAL A 98 9.542 -11.768 -5.049 1.00 71.11 H new ATOM 0 HG11 VAL A 98 8.180 -12.555 -6.956 1.00 12.31 H new ATOM 0 HG12 VAL A 98 8.565 -13.870 -5.821 1.00 12.31 H new ATOM 0 HG13 VAL A 98 6.942 -13.139 -5.819 1.00 12.31 H new ATOM 0 HG21 VAL A 98 7.965 -10.229 -6.167 1.00 74.24 H new ATOM 0 HG22 VAL A 98 6.710 -10.668 -4.984 1.00 74.24 H new ATOM 0 HG23 VAL A 98 8.185 -9.829 -4.447 1.00 74.24 H new ATOM 1597 N THR A 99 5.984 -11.655 -2.904 1.00 73.30 N ATOM 1598 CA THR A 99 4.524 -11.769 -2.739 1.00 31.32 C ATOM 1599 C THR A 99 3.807 -10.515 -3.261 1.00 4.00 C ATOM 1600 O THR A 99 4.309 -9.396 -3.125 1.00 75.04 O ATOM 1601 CB THR A 99 4.124 -12.011 -1.262 1.00 14.42 C ATOM 1602 OG1 THR A 99 2.700 -12.191 -1.156 1.00 20.15 O ATOM 1603 CG2 THR A 99 4.556 -10.849 -0.379 1.00 63.21 C ATOM 0 H THR A 99 6.355 -10.722 -2.725 1.00 73.30 H new ATOM 0 HA THR A 99 4.213 -12.633 -3.326 1.00 31.32 H new ATOM 0 HB THR A 99 4.632 -12.913 -0.922 1.00 14.42 H new ATOM 0 HG1 THR A 99 2.309 -11.431 -0.677 1.00 20.15 H new ATOM 0 HG21 THR A 99 4.262 -11.047 0.652 1.00 63.21 H new ATOM 0 HG22 THR A 99 5.639 -10.735 -0.432 1.00 63.21 H new ATOM 0 HG23 THR A 99 4.077 -9.933 -0.724 1.00 63.21 H new ATOM 1611 N THR A 100 2.638 -10.706 -3.871 1.00 22.05 N ATOM 1612 CA THR A 100 1.879 -9.595 -4.464 1.00 61.02 C ATOM 1613 C THR A 100 0.407 -9.626 -4.024 1.00 3.21 C ATOM 1614 O THR A 100 -0.176 -10.697 -3.853 1.00 32.22 O ATOM 1615 CB THR A 100 1.939 -9.640 -6.013 1.00 74.13 C ATOM 1616 OG1 THR A 100 3.297 -9.800 -6.454 1.00 3.22 O ATOM 1617 CG2 THR A 100 1.356 -8.370 -6.627 1.00 12.22 C ATOM 0 H THR A 100 2.192 -11.618 -3.970 1.00 22.05 H new ATOM 0 HA THR A 100 2.341 -8.673 -4.110 1.00 61.02 H new ATOM 0 HB THR A 100 1.343 -10.491 -6.342 1.00 74.13 H new ATOM 0 HG1 THR A 100 3.322 -9.829 -7.433 1.00 3.22 H new ATOM 0 HG21 THR A 100 1.413 -8.432 -7.714 1.00 12.22 H new ATOM 0 HG22 THR A 100 0.315 -8.264 -6.323 1.00 12.22 H new ATOM 0 HG23 THR A 100 1.924 -7.506 -6.283 1.00 12.22 H new ATOM 1625 N CYS A 101 -0.188 -8.450 -3.832 1.00 54.42 N ATOM 1626 CA CYS A 101 -1.609 -8.349 -3.456 1.00 1.13 C ATOM 1627 C CYS A 101 -2.266 -7.108 -4.076 1.00 64.22 C ATOM 1628 O CYS A 101 -1.663 -6.037 -4.135 1.00 20.22 O ATOM 1629 CB CYS A 101 -1.765 -8.310 -1.929 1.00 40.44 C ATOM 1630 SG CYS A 101 -3.480 -8.170 -1.363 1.00 52.11 S ATOM 0 H CYS A 101 0.285 -7.552 -3.929 1.00 54.42 H new ATOM 0 HA CYS A 101 -2.112 -9.235 -3.844 1.00 1.13 H new ATOM 0 HB2 CYS A 101 -1.327 -9.215 -1.507 1.00 40.44 H new ATOM 0 HB3 CYS A 101 -1.195 -7.467 -1.538 1.00 40.44 H new ATOM 0 HG CYS A 101 -3.508 -8.147 -0.063 1.00 52.11 H new ATOM 1636 N ASN A 102 -3.506 -7.257 -4.536 1.00 11.53 N ATOM 1637 CA ASN A 102 -4.249 -6.147 -5.142 1.00 72.15 C ATOM 1638 C ASN A 102 -5.272 -5.554 -4.159 1.00 75.34 C ATOM 1639 O ASN A 102 -6.070 -6.278 -3.558 1.00 55.12 O ATOM 1640 CB ASN A 102 -4.958 -6.616 -6.418 1.00 41.22 C ATOM 1641 CG ASN A 102 -3.981 -7.128 -7.463 1.00 31.41 C ATOM 1642 OD1 ASN A 102 -3.696 -8.320 -7.540 1.00 42.11 O ATOM 1643 ND2 ASN A 102 -3.446 -6.231 -8.267 1.00 52.24 N ATOM 0 H ASN A 102 -4.021 -8.137 -4.502 1.00 11.53 H new ATOM 0 HA ASN A 102 -3.532 -5.366 -5.396 1.00 72.15 H new ATOM 0 HB2 ASN A 102 -5.667 -7.405 -6.168 1.00 41.22 H new ATOM 0 HB3 ASN A 102 -5.534 -5.790 -6.836 1.00 41.22 H new ATOM 0 HD21 ASN A 102 -2.775 -6.520 -8.978 1.00 52.24 H new ATOM 0 HD22 ASN A 102 -3.703 -5.248 -8.178 1.00 52.24 H new ATOM 1650 N THR A 103 -5.246 -4.233 -4.007 1.00 51.31 N ATOM 1651 CA THR A 103 -6.164 -3.527 -3.103 1.00 71.45 C ATOM 1652 C THR A 103 -6.813 -2.334 -3.812 1.00 45.22 C ATOM 1653 O THR A 103 -6.138 -1.568 -4.493 1.00 1.02 O ATOM 1654 CB THR A 103 -5.431 -3.026 -1.838 1.00 42.44 C ATOM 1655 OG1 THR A 103 -4.842 -4.136 -1.147 1.00 74.24 O ATOM 1656 CG2 THR A 103 -6.386 -2.284 -0.901 1.00 10.12 C ATOM 0 H THR A 103 -4.596 -3.621 -4.500 1.00 51.31 H new ATOM 0 HA THR A 103 -6.935 -4.238 -2.807 1.00 71.45 H new ATOM 0 HB THR A 103 -4.652 -2.331 -2.151 1.00 42.44 H new ATOM 0 HG1 THR A 103 -5.482 -4.494 -0.497 1.00 74.24 H new ATOM 0 HG21 THR A 103 -5.841 -1.944 -0.021 1.00 10.12 H new ATOM 0 HG22 THR A 103 -6.810 -1.424 -1.420 1.00 10.12 H new ATOM 0 HG23 THR A 103 -7.189 -2.954 -0.594 1.00 10.12 H new ATOM 1664 N ARG A 104 -8.121 -2.169 -3.649 1.00 64.41 N ATOM 1665 CA ARG A 104 -8.849 -1.103 -4.348 1.00 3.44 C ATOM 1666 C ARG A 104 -9.131 0.097 -3.433 1.00 13.12 C ATOM 1667 O ARG A 104 -9.354 -0.062 -2.233 1.00 22.10 O ATOM 1668 CB ARG A 104 -10.170 -1.641 -4.917 1.00 42.41 C ATOM 1669 CG ARG A 104 -10.876 -0.645 -5.832 1.00 45.22 C ATOM 1670 CD ARG A 104 -12.169 -1.199 -6.417 1.00 71.22 C ATOM 1671 NE ARG A 104 -12.650 -0.368 -7.516 1.00 63.50 N ATOM 1672 CZ ARG A 104 -13.901 -0.087 -7.746 1.00 4.14 C ATOM 1673 NH1 ARG A 104 -14.839 -0.513 -6.962 1.00 13.23 N ATOM 1674 NH2 ARG A 104 -14.214 0.648 -8.760 1.00 52.22 N ATOM 0 H ARG A 104 -8.700 -2.752 -3.045 1.00 64.41 H new ATOM 0 HA ARG A 104 -8.212 -0.760 -5.164 1.00 3.44 H new ATOM 0 HB2 ARG A 104 -9.973 -2.559 -5.471 1.00 42.41 H new ATOM 0 HB3 ARG A 104 -10.834 -1.903 -4.093 1.00 42.41 H new ATOM 0 HG2 ARG A 104 -11.095 0.264 -5.272 1.00 45.22 H new ATOM 0 HG3 ARG A 104 -10.205 -0.365 -6.644 1.00 45.22 H new ATOM 0 HD2 ARG A 104 -12.004 -2.216 -6.772 1.00 71.22 H new ATOM 0 HD3 ARG A 104 -12.930 -1.253 -5.638 1.00 71.22 H new ATOM 0 HE ARG A 104 -11.954 0.022 -8.152 1.00 63.50 H new ATOM 0 HH11 ARG A 104 -14.604 -1.080 -6.147 1.00 13.23 H new ATOM 0 HH12 ARG A 104 -15.813 -0.282 -7.159 1.00 13.23 H new ATOM 0 HH21 ARG A 104 -13.484 1.005 -9.376 1.00 52.22 H new ATOM 0 HH22 ARG A 104 -15.192 0.872 -8.945 1.00 52.22 H new ATOM 1688 N LEU A 105 -9.105 1.295 -4.007 1.00 1.41 N ATOM 1689 CA LEU A 105 -9.471 2.516 -3.280 1.00 60.33 C ATOM 1690 C LEU A 105 -10.442 3.364 -4.113 1.00 74.12 C ATOM 1691 O LEU A 105 -10.157 3.698 -5.268 1.00 30.44 O ATOM 1692 CB LEU A 105 -8.219 3.336 -2.938 1.00 34.14 C ATOM 1693 CG LEU A 105 -8.473 4.616 -2.122 1.00 12.54 C ATOM 1694 CD1 LEU A 105 -9.038 4.284 -0.743 1.00 53.41 C ATOM 1695 CD2 LEU A 105 -7.196 5.439 -2.001 1.00 34.41 C ATOM 0 H LEU A 105 -8.834 1.452 -4.978 1.00 1.41 H new ATOM 0 HA LEU A 105 -9.963 2.226 -2.352 1.00 60.33 H new ATOM 0 HB2 LEU A 105 -7.530 2.701 -2.381 1.00 34.14 H new ATOM 0 HB3 LEU A 105 -7.720 3.610 -3.867 1.00 34.14 H new ATOM 0 HG LEU A 105 -9.215 5.213 -2.652 1.00 12.54 H new ATOM 0 HD11 LEU A 105 -9.208 5.206 -0.188 1.00 53.41 H new ATOM 0 HD12 LEU A 105 -9.981 3.749 -0.855 1.00 53.41 H new ATOM 0 HD13 LEU A 105 -8.329 3.659 -0.200 1.00 53.41 H new ATOM 0 HD21 LEU A 105 -7.397 6.339 -1.421 1.00 34.41 H new ATOM 0 HD22 LEU A 105 -6.429 4.849 -1.500 1.00 34.41 H new ATOM 0 HD23 LEU A 105 -6.848 5.718 -2.995 1.00 34.41 H new ATOM 1707 N ASP A 106 -11.589 3.704 -3.531 1.00 41.41 N ATOM 1708 CA ASP A 106 -12.615 4.476 -4.237 1.00 71.51 C ATOM 1709 C ASP A 106 -12.783 5.886 -3.654 1.00 61.32 C ATOM 1710 O ASP A 106 -12.546 6.122 -2.466 1.00 72.51 O ATOM 1711 CB ASP A 106 -13.953 3.736 -4.200 1.00 40.33 C ATOM 1712 CG ASP A 106 -13.933 2.490 -5.061 1.00 4.33 C ATOM 1713 OD1 ASP A 106 -14.001 2.635 -6.301 1.00 54.42 O ATOM 1714 OD2 ASP A 106 -13.841 1.373 -4.513 1.00 32.53 O ATOM 0 H ASP A 106 -11.834 3.458 -2.572 1.00 41.41 H new ATOM 0 HA ASP A 106 -12.284 4.583 -5.270 1.00 71.51 H new ATOM 0 HB2 ASP A 106 -14.188 3.463 -3.171 1.00 40.33 H new ATOM 0 HB3 ASP A 106 -14.746 4.401 -4.543 1.00 40.33 H new ATOM 1719 N VAL A 107 -13.197 6.822 -4.507 1.00 11.35 N ATOM 1720 CA VAL A 107 -13.464 8.201 -4.089 1.00 41.45 C ATOM 1721 C VAL A 107 -14.845 8.665 -4.583 1.00 12.24 C ATOM 1722 O VAL A 107 -15.270 8.347 -5.694 1.00 14.02 O ATOM 1723 CB VAL A 107 -12.372 9.185 -4.598 1.00 2.12 C ATOM 1724 CG1 VAL A 107 -12.691 10.623 -4.189 1.00 35.11 C ATOM 1725 CG2 VAL A 107 -10.988 8.777 -4.086 1.00 62.04 C ATOM 0 H VAL A 107 -13.356 6.650 -5.500 1.00 11.35 H new ATOM 0 HA VAL A 107 -13.448 8.209 -2.999 1.00 41.45 H new ATOM 0 HB VAL A 107 -12.364 9.136 -5.687 1.00 2.12 H new ATOM 0 HG11 VAL A 107 -11.910 11.288 -4.559 1.00 35.11 H new ATOM 0 HG12 VAL A 107 -13.650 10.918 -4.614 1.00 35.11 H new ATOM 0 HG13 VAL A 107 -12.740 10.690 -3.102 1.00 35.11 H new ATOM 0 HG21 VAL A 107 -10.242 9.480 -4.455 1.00 62.04 H new ATOM 0 HG22 VAL A 107 -10.986 8.785 -2.996 1.00 62.04 H new ATOM 0 HG23 VAL A 107 -10.749 7.775 -4.442 1.00 62.04 H new ATOM 1735 N THR A 108 -15.537 9.417 -3.741 1.00 55.32 N ATOM 1736 CA THR A 108 -16.877 9.926 -4.042 1.00 21.51 C ATOM 1737 C THR A 108 -16.859 11.460 -4.082 1.00 43.33 C ATOM 1738 O THR A 108 -16.087 12.099 -3.363 1.00 2.12 O ATOM 1739 CB THR A 108 -17.908 9.434 -2.992 1.00 25.24 C ATOM 1740 OG1 THR A 108 -17.980 7.997 -3.009 1.00 53.03 O ATOM 1741 CG2 THR A 108 -19.300 10.010 -3.242 1.00 13.53 C ATOM 0 H THR A 108 -15.188 9.696 -2.824 1.00 55.32 H new ATOM 0 HA THR A 108 -17.176 9.544 -5.018 1.00 21.51 H new ATOM 0 HB THR A 108 -17.568 9.782 -2.017 1.00 25.24 H new ATOM 0 HG1 THR A 108 -18.766 7.715 -3.522 1.00 53.03 H new ATOM 0 HG21 THR A 108 -19.989 9.639 -2.483 1.00 13.53 H new ATOM 0 HG22 THR A 108 -19.258 11.098 -3.193 1.00 13.53 H new ATOM 0 HG23 THR A 108 -19.648 9.705 -4.229 1.00 13.53 H new ATOM 1749 N ALA A 109 -17.709 12.050 -4.913 1.00 54.43 N ATOM 1750 CA ALA A 109 -17.713 13.501 -5.097 1.00 15.23 C ATOM 1751 C ALA A 109 -18.302 14.209 -3.873 1.00 62.22 C ATOM 1752 O ALA A 109 -19.483 14.053 -3.554 1.00 43.54 O ATOM 1753 CB ALA A 109 -18.497 13.866 -6.353 1.00 24.53 C ATOM 0 H ALA A 109 -18.403 11.551 -5.470 1.00 54.43 H new ATOM 0 HA ALA A 109 -16.682 13.835 -5.213 1.00 15.23 H new ATOM 0 HB1 ALA A 109 -18.495 14.948 -6.482 1.00 24.53 H new ATOM 0 HB2 ALA A 109 -18.034 13.396 -7.221 1.00 24.53 H new ATOM 0 HB3 ALA A 109 -19.524 13.515 -6.256 1.00 24.53 H new