USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=28 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 -89:sc= 0.962 USER MOD Set 1.2: A 102 ASN :FLIP amide:sc= 0.829 F(o=0.49,f=1.8) 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 50 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 53 ASN : amide:sc= 0.77 K(o=2,f=-7.4!) USER MOD Set 4.1: A 21 LYS NZ :NH3+ 177:sc= 1.06 (180deg=-0.234) USER MOD Set 4.2: A 23 GLN : amide:sc= -0.985 K(o=0.079,f=-12!) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= 0.932 (180deg=0.257) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= 0.367 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -0.0593 (180deg=-0.237) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.0191 USER MOD Single : A 38 GLN : amide:sc= -1.87 K(o=-1.9,f=-6.3!) 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 52 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.59) USER MOD Single : A 55 MET CE :methyl -147:sc= -1.28 (180deg=-3.27!) USER MOD Single : A 57 GLN : amide:sc= -0.237! C(o=-0.24!,f=-3.7!) USER MOD Single : A 59 ASN : amide:sc= -1.95! C(o=-2!,f=-3.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0937 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 69 ASN : amide:sc= -0.0816 K(o=-0.082,f=-0.93) USER MOD Single : A 70 THR OG1 : rot -40:sc= 0.537 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0.754 (180deg=0.711) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.112 F(o=-0.65,f=-0.11) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.0896 (180deg=-0.447) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 94 ASN : amide:sc= -0.712 K(o=-0.71,f=-6.8!) USER MOD Single : A 99 THR OG1 : rot -92:sc= 0.34 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.306 USER MOD Single : A 103 THR OG1 : rot 138:sc= -1.47 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 16.514 -17.543 6.404 1.00 44.22 N ATOM 198 CA LYS A 13 15.902 -16.862 5.255 1.00 41.42 C ATOM 199 C LYS A 13 14.403 -17.187 5.170 1.00 25.25 C ATOM 200 O LYS A 13 14.013 -18.356 5.193 1.00 15.11 O ATOM 201 CB LYS A 13 16.579 -17.285 3.944 1.00 13.11 C ATOM 202 CG LYS A 13 18.054 -16.922 3.855 1.00 74.11 C ATOM 203 CD LYS A 13 18.634 -17.299 2.494 1.00 33.11 C ATOM 204 CE LYS A 13 20.109 -16.940 2.388 1.00 40.44 C ATOM 205 NZ LYS A 13 20.345 -15.484 2.563 1.00 35.33 N ATOM 0 HA LYS A 13 16.035 -15.790 5.399 1.00 41.42 H new ATOM 0 HB2 LYS A 13 16.475 -18.364 3.826 1.00 13.11 H new ATOM 0 HB3 LYS A 13 16.052 -16.821 3.110 1.00 13.11 H new ATOM 0 HG2 LYS A 13 18.179 -15.852 4.023 1.00 74.11 H new ATOM 0 HG3 LYS A 13 18.606 -17.435 4.643 1.00 74.11 H new ATOM 0 HD2 LYS A 13 18.508 -18.369 2.329 1.00 33.11 H new ATOM 0 HD3 LYS A 13 18.078 -16.788 1.708 1.00 33.11 H new ATOM 0 HE2 LYS A 13 20.671 -17.491 3.143 1.00 40.44 H new ATOM 0 HE3 LYS A 13 20.489 -17.254 1.416 1.00 40.44 H new ATOM 0 HZ1 LYS A 13 21.246 -15.222 2.115 1.00 35.33 H new ATOM 0 HZ2 LYS A 13 19.570 -14.951 2.119 1.00 35.33 H new ATOM 0 HZ3 LYS A 13 20.384 -15.258 3.577 1.00 35.33 H new ATOM 219 N ARG A 14 13.569 -16.159 5.067 1.00 21.14 N ATOM 220 CA ARG A 14 12.119 -16.351 4.956 1.00 55.12 C ATOM 221 C ARG A 14 11.519 -15.424 3.887 1.00 51.34 C ATOM 222 O ARG A 14 11.769 -14.216 3.884 1.00 35.23 O ATOM 223 CB ARG A 14 11.445 -16.087 6.314 1.00 32.24 C ATOM 224 CG ARG A 14 9.983 -16.524 6.380 1.00 43.42 C ATOM 225 CD ARG A 14 9.845 -18.036 6.243 1.00 43.15 C ATOM 226 NE ARG A 14 8.453 -18.474 6.310 1.00 13.14 N ATOM 227 CZ ARG A 14 7.942 -19.143 7.307 1.00 44.25 C ATOM 228 NH1 ARG A 14 8.659 -19.434 8.349 1.00 41.42 N ATOM 229 NH2 ARG A 14 6.704 -19.517 7.265 1.00 32.44 N ATOM 0 H ARG A 14 13.867 -15.183 5.058 1.00 21.14 H new ATOM 0 HA ARG A 14 11.937 -17.383 4.657 1.00 55.12 H new ATOM 0 HB2 ARG A 14 12.004 -16.607 7.092 1.00 32.24 H new ATOM 0 HB3 ARG A 14 11.505 -15.022 6.536 1.00 32.24 H new ATOM 0 HG2 ARG A 14 9.548 -16.202 7.326 1.00 43.42 H new ATOM 0 HG3 ARG A 14 9.419 -16.033 5.587 1.00 43.42 H new ATOM 0 HD2 ARG A 14 10.278 -18.354 5.295 1.00 43.15 H new ATOM 0 HD3 ARG A 14 10.416 -18.524 7.033 1.00 43.15 H new ATOM 0 HE ARG A 14 7.841 -18.242 5.527 1.00 13.14 H new ATOM 0 HH11 ARG A 14 9.634 -19.139 8.395 1.00 41.42 H new ATOM 0 HH12 ARG A 14 8.247 -19.958 9.121 1.00 41.42 H new ATOM 0 HH21 ARG A 14 6.130 -19.289 6.454 1.00 32.44 H new ATOM 0 HH22 ARG A 14 6.303 -20.040 8.043 1.00 32.44 H new ATOM 243 N ALA A 15 10.739 -15.994 2.973 1.00 63.11 N ATOM 244 CA ALA A 15 10.050 -15.203 1.951 1.00 71.34 C ATOM 245 C ALA A 15 8.889 -14.399 2.561 1.00 24.01 C ATOM 246 O ALA A 15 8.261 -14.843 3.524 1.00 1.11 O ATOM 247 CB ALA A 15 9.542 -16.113 0.840 1.00 73.31 C ATOM 0 H ALA A 15 10.567 -16.998 2.917 1.00 63.11 H new ATOM 0 HA ALA A 15 10.763 -14.494 1.530 1.00 71.34 H new ATOM 0 HB1 ALA A 15 9.031 -15.515 0.085 1.00 73.31 H new ATOM 0 HB2 ALA A 15 10.383 -16.633 0.383 1.00 73.31 H new ATOM 0 HB3 ALA A 15 8.847 -16.842 1.256 1.00 73.31 H new ATOM 253 N PRO A 16 8.591 -13.203 2.013 1.00 70.15 N ATOM 254 CA PRO A 16 7.521 -12.336 2.537 1.00 14.52 C ATOM 255 C PRO A 16 6.141 -13.012 2.519 1.00 15.11 C ATOM 256 O PRO A 16 5.728 -13.592 1.513 1.00 25.24 O ATOM 257 CB PRO A 16 7.551 -11.114 1.602 1.00 42.13 C ATOM 258 CG PRO A 16 8.266 -11.578 0.378 1.00 41.23 C ATOM 259 CD PRO A 16 9.258 -12.603 0.847 1.00 43.23 C ATOM 0 HA PRO A 16 7.685 -12.084 3.585 1.00 14.52 H new ATOM 0 HB2 PRO A 16 6.543 -10.775 1.365 1.00 42.13 H new ATOM 0 HB3 PRO A 16 8.069 -10.275 2.067 1.00 42.13 H new ATOM 0 HG2 PRO A 16 7.570 -12.008 -0.342 1.00 41.23 H new ATOM 0 HG3 PRO A 16 8.767 -10.748 -0.120 1.00 41.23 H new ATOM 0 HD2 PRO A 16 9.467 -13.345 0.076 1.00 43.23 H new ATOM 0 HD3 PRO A 16 10.211 -12.148 1.117 1.00 43.23 H new ATOM 267 N MET A 17 5.442 -12.938 3.648 1.00 24.24 N ATOM 268 CA MET A 17 4.116 -13.549 3.792 1.00 21.33 C ATOM 269 C MET A 17 3.052 -12.517 4.199 1.00 30.13 C ATOM 270 O MET A 17 3.175 -11.864 5.236 1.00 32.10 O ATOM 271 CB MET A 17 4.191 -14.673 4.838 1.00 0.23 C ATOM 272 CG MET A 17 2.838 -15.229 5.261 1.00 21.24 C ATOM 273 SD MET A 17 1.852 -15.808 3.868 1.00 24.21 S ATOM 274 CE MET A 17 0.371 -16.350 4.718 1.00 54.35 C ATOM 0 H MET A 17 5.772 -12.458 4.485 1.00 24.24 H new ATOM 0 HA MET A 17 3.819 -13.956 2.825 1.00 21.33 H new ATOM 0 HB2 MET A 17 4.795 -15.487 4.437 1.00 0.23 H new ATOM 0 HB3 MET A 17 4.708 -14.297 5.721 1.00 0.23 H new ATOM 0 HG2 MET A 17 2.991 -16.052 5.959 1.00 21.24 H new ATOM 0 HG3 MET A 17 2.285 -14.457 5.796 1.00 21.24 H new ATOM 0 HE1 MET A 17 -0.344 -16.738 3.992 1.00 54.35 H new ATOM 0 HE2 MET A 17 0.627 -17.134 5.430 1.00 54.35 H new ATOM 0 HE3 MET A 17 -0.072 -15.508 5.249 1.00 54.35 H new ATOM 284 N PHE A 18 2.007 -12.374 3.380 1.00 73.45 N ATOM 285 CA PHE A 18 0.880 -11.495 3.718 1.00 21.25 C ATOM 286 C PHE A 18 -0.022 -12.132 4.786 1.00 43.14 C ATOM 287 O PHE A 18 -0.811 -13.038 4.497 1.00 55.41 O ATOM 288 CB PHE A 18 0.039 -11.167 2.470 1.00 3.42 C ATOM 289 CG PHE A 18 0.620 -10.086 1.589 1.00 1.53 C ATOM 290 CD1 PHE A 18 0.508 -8.748 1.949 1.00 73.21 C ATOM 291 CD2 PHE A 18 1.261 -10.399 0.399 1.00 1.51 C ATOM 292 CE1 PHE A 18 1.027 -7.752 1.141 1.00 12.32 C ATOM 293 CE2 PHE A 18 1.781 -9.404 -0.410 1.00 54.02 C ATOM 294 CZ PHE A 18 1.663 -8.081 -0.039 1.00 24.45 C ATOM 0 H PHE A 18 1.916 -12.851 2.483 1.00 73.45 H new ATOM 0 HA PHE A 18 1.302 -10.572 4.116 1.00 21.25 H new ATOM 0 HB2 PHE A 18 -0.080 -12.075 1.879 1.00 3.42 H new ATOM 0 HB3 PHE A 18 -0.957 -10.862 2.789 1.00 3.42 H new ATOM 0 HD1 PHE A 18 0.010 -8.483 2.870 1.00 73.21 H new ATOM 0 HD2 PHE A 18 1.355 -11.433 0.100 1.00 1.51 H new ATOM 0 HE1 PHE A 18 0.934 -6.717 1.434 1.00 12.32 H new ATOM 0 HE2 PHE A 18 2.279 -9.664 -1.332 1.00 54.02 H new ATOM 0 HZ PHE A 18 2.067 -7.304 -0.671 1.00 24.45 H new ATOM 304 N ILE A 19 0.091 -11.645 6.017 1.00 13.14 N ATOM 305 CA ILE A 19 -0.761 -12.108 7.118 1.00 22.45 C ATOM 306 C ILE A 19 -2.159 -11.476 7.018 1.00 32.33 C ATOM 307 O ILE A 19 -3.172 -12.112 7.311 1.00 63.03 O ATOM 308 CB ILE A 19 -0.134 -11.760 8.491 1.00 1.23 C ATOM 309 CG1 ILE A 19 1.319 -12.262 8.566 1.00 15.23 C ATOM 310 CG2 ILE A 19 -0.967 -12.353 9.629 1.00 23.55 C ATOM 311 CD1 ILE A 19 2.032 -11.875 9.846 1.00 32.03 C ATOM 0 H ILE A 19 0.765 -10.927 6.283 1.00 13.14 H new ATOM 0 HA ILE A 19 -0.848 -13.192 7.037 1.00 22.45 H new ATOM 0 HB ILE A 19 -0.128 -10.675 8.599 1.00 1.23 H new ATOM 0 HG12 ILE A 19 1.324 -13.348 8.472 1.00 15.23 H new ATOM 0 HG13 ILE A 19 1.875 -11.866 7.717 1.00 15.23 H new ATOM 0 HG21 ILE A 19 -0.510 -12.098 10.585 1.00 23.55 H new ATOM 0 HG22 ILE A 19 -1.978 -11.947 9.590 1.00 23.55 H new ATOM 0 HG23 ILE A 19 -1.007 -13.437 9.524 1.00 23.55 H new ATOM 0 HD11 ILE A 19 3.050 -12.263 9.827 1.00 32.03 H new ATOM 0 HD12 ILE A 19 2.059 -10.789 9.933 1.00 32.03 H new ATOM 0 HD13 ILE A 19 1.500 -12.294 10.700 1.00 32.03 H new ATOM 323 N TYR A 20 -2.202 -10.215 6.600 1.00 13.12 N ATOM 324 CA TYR A 20 -3.468 -9.509 6.375 1.00 2.24 C ATOM 325 C TYR A 20 -3.429 -8.732 5.057 1.00 44.24 C ATOM 326 O TYR A 20 -2.413 -8.129 4.717 1.00 73.41 O ATOM 327 CB TYR A 20 -3.767 -8.536 7.524 1.00 12.15 C ATOM 328 CG TYR A 20 -3.960 -9.209 8.869 1.00 43.42 C ATOM 329 CD1 TYR A 20 -5.151 -9.853 9.188 1.00 21.53 C ATOM 330 CD2 TYR A 20 -2.949 -9.194 9.822 1.00 34.30 C ATOM 331 CE1 TYR A 20 -5.326 -10.459 10.415 1.00 51.32 C ATOM 332 CE2 TYR A 20 -3.116 -9.799 11.051 1.00 43.05 C ATOM 333 CZ TYR A 20 -4.307 -10.430 11.344 1.00 62.25 C ATOM 334 OH TYR A 20 -4.482 -11.037 12.569 1.00 3.32 O ATOM 0 H TYR A 20 -1.372 -9.654 6.408 1.00 13.12 H new ATOM 0 HA TYR A 20 -4.257 -10.260 6.329 1.00 2.24 H new ATOM 0 HB2 TYR A 20 -2.949 -7.820 7.602 1.00 12.15 H new ATOM 0 HB3 TYR A 20 -4.665 -7.969 7.281 1.00 12.15 H new ATOM 0 HD1 TYR A 20 -5.952 -9.879 8.464 1.00 21.53 H new ATOM 0 HD2 TYR A 20 -2.015 -8.700 9.597 1.00 34.30 H new ATOM 0 HE1 TYR A 20 -6.257 -10.954 10.647 1.00 51.32 H new ATOM 0 HE2 TYR A 20 -2.319 -9.779 11.779 1.00 43.05 H new ATOM 0 HH TYR A 20 -3.670 -10.928 13.107 1.00 3.32 H new ATOM 344 N LYS A 21 -4.531 -8.758 4.317 1.00 41.13 N ATOM 345 CA LYS A 21 -4.658 -7.976 3.082 1.00 54.54 C ATOM 346 C LYS A 21 -5.436 -6.669 3.343 1.00 72.22 C ATOM 347 O LYS A 21 -6.254 -6.601 4.264 1.00 43.24 O ATOM 348 CB LYS A 21 -5.343 -8.815 1.989 1.00 11.34 C ATOM 349 CG LYS A 21 -6.711 -9.360 2.388 1.00 3.42 C ATOM 350 CD LYS A 21 -7.322 -10.223 1.284 1.00 12.55 C ATOM 351 CE LYS A 21 -8.700 -10.749 1.674 1.00 54.33 C ATOM 352 NZ LYS A 21 -9.654 -9.646 1.958 1.00 33.34 N ATOM 0 H LYS A 21 -5.355 -9.313 4.548 1.00 41.13 H new ATOM 0 HA LYS A 21 -3.660 -7.708 2.734 1.00 54.54 H new ATOM 0 HB2 LYS A 21 -5.454 -8.204 1.093 1.00 11.34 H new ATOM 0 HB3 LYS A 21 -4.694 -9.650 1.726 1.00 11.34 H new ATOM 0 HG2 LYS A 21 -6.616 -9.950 3.300 1.00 3.42 H new ATOM 0 HG3 LYS A 21 -7.381 -8.530 2.614 1.00 3.42 H new ATOM 0 HD2 LYS A 21 -7.402 -9.638 0.368 1.00 12.55 H new ATOM 0 HD3 LYS A 21 -6.660 -11.062 1.070 1.00 12.55 H new ATOM 0 HE2 LYS A 21 -9.093 -11.370 0.869 1.00 54.33 H new ATOM 0 HE3 LYS A 21 -8.610 -11.386 2.554 1.00 54.33 H new ATOM 0 HZ1 LYS A 21 -10.591 -10.044 2.170 1.00 33.34 H new ATOM 0 HZ2 LYS A 21 -9.318 -9.098 2.776 1.00 33.34 H new ATOM 0 HZ3 LYS A 21 -9.722 -9.023 1.128 1.00 33.34 H new ATOM 366 N PRO A 22 -5.167 -5.600 2.570 1.00 21.03 N ATOM 367 CA PRO A 22 -5.852 -4.312 2.732 1.00 52.33 C ATOM 368 C PRO A 22 -7.235 -4.279 2.054 1.00 65.11 C ATOM 369 O PRO A 22 -7.361 -4.542 0.856 1.00 70.00 O ATOM 370 CB PRO A 22 -4.895 -3.298 2.073 1.00 1.41 C ATOM 371 CG PRO A 22 -3.766 -4.096 1.480 1.00 1.24 C ATOM 372 CD PRO A 22 -4.184 -5.545 1.483 1.00 22.34 C ATOM 0 HA PRO A 22 -6.055 -4.099 3.781 1.00 52.33 H new ATOM 0 HB2 PRO A 22 -5.410 -2.723 1.303 1.00 1.41 H new ATOM 0 HB3 PRO A 22 -4.521 -2.584 2.807 1.00 1.41 H new ATOM 0 HG2 PRO A 22 -3.552 -3.761 0.465 1.00 1.24 H new ATOM 0 HG3 PRO A 22 -2.854 -3.959 2.060 1.00 1.24 H new ATOM 0 HD2 PRO A 22 -4.620 -5.842 0.529 1.00 22.34 H new ATOM 0 HD3 PRO A 22 -3.339 -6.209 1.668 1.00 22.34 H new ATOM 380 N GLN A 23 -8.269 -3.942 2.825 1.00 41.22 N ATOM 381 CA GLN A 23 -9.640 -3.871 2.303 1.00 12.03 C ATOM 382 C GLN A 23 -9.986 -2.458 1.809 1.00 2.24 C ATOM 383 O GLN A 23 -9.547 -1.460 2.381 1.00 3.44 O ATOM 384 CB GLN A 23 -10.656 -4.321 3.368 1.00 72.32 C ATOM 385 CG GLN A 23 -10.760 -5.838 3.539 1.00 22.22 C ATOM 386 CD GLN A 23 -9.489 -6.490 4.061 1.00 4.24 C ATOM 387 OE1 GLN A 23 -9.174 -7.622 3.710 1.00 45.03 O ATOM 388 NE2 GLN A 23 -8.767 -5.803 4.929 1.00 12.24 N ATOM 0 H GLN A 23 -8.186 -3.713 3.815 1.00 41.22 H new ATOM 0 HA GLN A 23 -9.696 -4.550 1.452 1.00 12.03 H new ATOM 0 HB2 GLN A 23 -10.382 -3.877 4.325 1.00 72.32 H new ATOM 0 HB3 GLN A 23 -11.638 -3.929 3.105 1.00 72.32 H new ATOM 0 HG2 GLN A 23 -11.578 -6.061 4.224 1.00 22.22 H new ATOM 0 HG3 GLN A 23 -11.017 -6.285 2.579 1.00 22.22 H new ATOM 0 HE21 GLN A 23 -9.055 -4.863 5.201 1.00 12.24 H new ATOM 0 HE22 GLN A 23 -7.922 -6.213 5.327 1.00 12.24 H new ATOM 397 N SER A 24 -10.796 -2.396 0.749 1.00 63.54 N ATOM 398 CA SER A 24 -11.118 -1.133 0.062 1.00 54.45 C ATOM 399 C SER A 24 -11.922 -0.149 0.928 1.00 1.55 C ATOM 400 O SER A 24 -12.881 -0.529 1.603 1.00 14.01 O ATOM 401 CB SER A 24 -11.902 -1.424 -1.226 1.00 73.44 C ATOM 402 OG SER A 24 -13.069 -2.192 -0.965 1.00 22.33 O ATOM 0 H SER A 24 -11.248 -3.214 0.341 1.00 63.54 H new ATOM 0 HA SER A 24 -10.163 -0.656 -0.161 1.00 54.45 H new ATOM 0 HB2 SER A 24 -12.183 -0.484 -1.702 1.00 73.44 H new ATOM 0 HB3 SER A 24 -11.263 -1.959 -1.929 1.00 73.44 H new ATOM 0 HG SER A 24 -13.546 -2.358 -1.805 1.00 22.33 H new ATOM 408 N LYS A 25 -11.516 1.123 0.888 1.00 64.44 N ATOM 409 CA LYS A 25 -12.243 2.220 1.546 1.00 64.24 C ATOM 410 C LYS A 25 -12.749 3.226 0.502 1.00 4.33 C ATOM 411 O LYS A 25 -12.165 3.360 -0.574 1.00 42.04 O ATOM 412 CB LYS A 25 -11.344 2.958 2.563 1.00 22.52 C ATOM 413 CG LYS A 25 -11.295 2.332 3.957 1.00 74.41 C ATOM 414 CD LYS A 25 -10.729 0.917 3.948 1.00 2.43 C ATOM 415 CE LYS A 25 -10.647 0.341 5.354 1.00 60.14 C ATOM 416 NZ LYS A 25 -10.352 -1.115 5.342 1.00 2.23 N ATOM 0 H LYS A 25 -10.673 1.425 0.399 1.00 64.44 H new ATOM 0 HA LYS A 25 -13.088 1.782 2.077 1.00 64.24 H new ATOM 0 HB2 LYS A 25 -10.330 3.001 2.165 1.00 22.52 H new ATOM 0 HB3 LYS A 25 -11.694 3.986 2.655 1.00 22.52 H new ATOM 0 HG2 LYS A 25 -10.687 2.958 4.610 1.00 74.41 H new ATOM 0 HG3 LYS A 25 -12.300 2.314 4.378 1.00 74.41 H new ATOM 0 HD2 LYS A 25 -11.356 0.277 3.327 1.00 2.43 H new ATOM 0 HD3 LYS A 25 -9.736 0.924 3.498 1.00 2.43 H new ATOM 0 HE2 LYS A 25 -9.872 0.863 5.915 1.00 60.14 H new ATOM 0 HE3 LYS A 25 -11.589 0.516 5.873 1.00 60.14 H new ATOM 0 HZ1 LYS A 25 -11.203 -1.644 5.619 1.00 2.23 H new ATOM 0 HZ2 LYS A 25 -10.062 -1.403 4.386 1.00 2.23 H new ATOM 0 HZ3 LYS A 25 -9.584 -1.319 6.013 1.00 2.23 H new ATOM 430 N LYS A 26 -13.827 3.934 0.829 1.00 0.12 N ATOM 431 CA LYS A 26 -14.371 4.973 -0.055 1.00 0.20 C ATOM 432 C LYS A 26 -14.444 6.339 0.660 1.00 22.12 C ATOM 433 O LYS A 26 -15.230 6.533 1.590 1.00 31.23 O ATOM 434 CB LYS A 26 -15.759 4.553 -0.570 1.00 41.14 C ATOM 435 CG LYS A 26 -16.784 4.308 0.534 1.00 24.22 C ATOM 436 CD LYS A 26 -18.109 3.787 -0.014 1.00 44.43 C ATOM 437 CE LYS A 26 -19.145 3.623 1.093 1.00 13.10 C ATOM 438 NZ LYS A 26 -18.659 2.738 2.185 1.00 52.23 N ATOM 0 H LYS A 26 -14.345 3.810 1.699 1.00 0.12 H new ATOM 0 HA LYS A 26 -13.698 5.084 -0.905 1.00 0.20 H new ATOM 0 HB2 LYS A 26 -16.137 5.328 -1.237 1.00 41.14 H new ATOM 0 HB3 LYS A 26 -15.655 3.644 -1.163 1.00 41.14 H new ATOM 0 HG2 LYS A 26 -16.381 3.590 1.249 1.00 24.22 H new ATOM 0 HG3 LYS A 26 -16.958 5.236 1.078 1.00 24.22 H new ATOM 0 HD2 LYS A 26 -18.488 4.476 -0.769 1.00 44.43 H new ATOM 0 HD3 LYS A 26 -17.948 2.829 -0.508 1.00 44.43 H new ATOM 0 HE2 LYS A 26 -19.395 4.601 1.503 1.00 13.10 H new ATOM 0 HE3 LYS A 26 -20.062 3.210 0.673 1.00 13.10 H new ATOM 0 HZ1 LYS A 26 -19.449 2.503 2.819 1.00 52.23 H new ATOM 0 HZ2 LYS A 26 -18.271 1.864 1.777 1.00 52.23 H new ATOM 0 HZ3 LYS A 26 -17.917 3.228 2.724 1.00 52.23 H new ATOM 452 N VAL A 27 -13.630 7.292 0.208 1.00 21.03 N ATOM 453 CA VAL A 27 -13.573 8.632 0.816 1.00 55.01 C ATOM 454 C VAL A 27 -14.100 9.714 -0.140 1.00 22.02 C ATOM 455 O VAL A 27 -14.438 9.429 -1.284 1.00 64.43 O ATOM 456 CB VAL A 27 -12.125 8.990 1.244 1.00 32.01 C ATOM 457 CG1 VAL A 27 -11.630 8.029 2.326 1.00 13.24 C ATOM 458 CG2 VAL A 27 -11.185 8.983 0.037 1.00 54.23 C ATOM 0 H VAL A 27 -12.996 7.165 -0.581 1.00 21.03 H new ATOM 0 HA VAL A 27 -14.214 8.603 1.697 1.00 55.01 H new ATOM 0 HB VAL A 27 -12.131 9.997 1.661 1.00 32.01 H new ATOM 0 HG11 VAL A 27 -10.613 8.297 2.613 1.00 13.24 H new ATOM 0 HG12 VAL A 27 -12.282 8.095 3.197 1.00 13.24 H new ATOM 0 HG13 VAL A 27 -11.642 7.010 1.940 1.00 13.24 H new ATOM 0 HG21 VAL A 27 -10.176 9.237 0.361 1.00 54.23 H new ATOM 0 HG22 VAL A 27 -11.182 7.992 -0.416 1.00 54.23 H new ATOM 0 HG23 VAL A 27 -11.526 9.716 -0.694 1.00 54.23 H new ATOM 468 N LEU A 28 -14.179 10.954 0.341 1.00 64.31 N ATOM 469 CA LEU A 28 -14.638 12.084 -0.483 1.00 54.30 C ATOM 470 C LEU A 28 -13.455 12.856 -1.091 1.00 13.43 C ATOM 471 O LEU A 28 -12.329 12.786 -0.591 1.00 41.21 O ATOM 472 CB LEU A 28 -15.503 13.036 0.353 1.00 22.33 C ATOM 473 CG LEU A 28 -16.826 12.451 0.869 1.00 3.25 C ATOM 474 CD1 LEU A 28 -17.541 13.448 1.777 1.00 34.43 C ATOM 475 CD2 LEU A 28 -17.727 12.047 -0.294 1.00 22.41 C ATOM 0 H LEU A 28 -13.932 11.207 1.298 1.00 64.31 H new ATOM 0 HA LEU A 28 -15.233 11.676 -1.300 1.00 54.30 H new ATOM 0 HB2 LEU A 28 -14.918 13.373 1.208 1.00 22.33 H new ATOM 0 HB3 LEU A 28 -15.726 13.918 -0.248 1.00 22.33 H new ATOM 0 HG LEU A 28 -16.597 11.559 1.452 1.00 3.25 H new ATOM 0 HD11 LEU A 28 -18.476 13.013 2.131 1.00 34.43 H new ATOM 0 HD12 LEU A 28 -16.905 13.684 2.630 1.00 34.43 H new ATOM 0 HD13 LEU A 28 -17.754 14.360 1.219 1.00 34.43 H new ATOM 0 HD21 LEU A 28 -18.659 11.635 0.094 1.00 22.41 H new ATOM 0 HD22 LEU A 28 -17.944 12.922 -0.907 1.00 22.41 H new ATOM 0 HD23 LEU A 28 -17.223 11.295 -0.901 1.00 22.41 H new ATOM 487 N GLU A 29 -13.719 13.595 -2.170 1.00 72.03 N ATOM 488 CA GLU A 29 -12.678 14.389 -2.838 1.00 5.22 C ATOM 489 C GLU A 29 -12.114 15.476 -1.908 1.00 35.15 C ATOM 490 O GLU A 29 -12.766 16.488 -1.646 1.00 1.51 O ATOM 491 CB GLU A 29 -13.224 15.033 -4.124 1.00 4.31 C ATOM 492 CG GLU A 29 -13.689 14.029 -5.176 1.00 62.33 C ATOM 493 CD GLU A 29 -14.051 14.688 -6.499 1.00 72.54 C ATOM 494 OE1 GLU A 29 -15.167 15.226 -6.616 1.00 30.53 O ATOM 495 OE2 GLU A 29 -13.217 14.667 -7.429 1.00 42.35 O ATOM 0 H GLU A 29 -14.641 13.662 -2.601 1.00 72.03 H new ATOM 0 HA GLU A 29 -11.868 13.708 -3.098 1.00 5.22 H new ATOM 0 HB2 GLU A 29 -14.059 15.684 -3.865 1.00 4.31 H new ATOM 0 HB3 GLU A 29 -12.449 15.665 -4.558 1.00 4.31 H new ATOM 0 HG2 GLU A 29 -12.901 13.295 -5.344 1.00 62.33 H new ATOM 0 HG3 GLU A 29 -14.555 13.486 -4.796 1.00 62.33 H new ATOM 502 N GLY A 30 -10.897 15.258 -1.418 1.00 22.14 N ATOM 503 CA GLY A 30 -10.264 16.212 -0.512 1.00 12.22 C ATOM 504 C GLY A 30 -10.013 15.650 0.887 1.00 74.01 C ATOM 505 O GLY A 30 -9.544 16.369 1.772 1.00 1.25 O ATOM 0 H GLY A 30 -10.333 14.435 -1.631 1.00 22.14 H new ATOM 0 HA2 GLY A 30 -9.315 16.534 -0.941 1.00 12.22 H new ATOM 0 HA3 GLY A 30 -10.894 17.098 -0.431 1.00 12.22 H new ATOM 509 N ASP A 31 -10.340 14.376 1.100 1.00 1.52 N ATOM 510 CA ASP A 31 -10.093 13.716 2.389 1.00 34.43 C ATOM 511 C ASP A 31 -8.849 12.811 2.345 1.00 44.45 C ATOM 512 O ASP A 31 -8.114 12.785 1.353 1.00 53.45 O ATOM 513 CB ASP A 31 -11.326 12.910 2.816 1.00 3.43 C ATOM 514 CG ASP A 31 -12.448 13.814 3.285 1.00 62.00 C ATOM 515 OD1 ASP A 31 -12.422 14.237 4.457 1.00 71.12 O ATOM 516 OD2 ASP A 31 -13.349 14.129 2.481 1.00 52.12 O ATOM 0 H ASP A 31 -10.777 13.777 0.399 1.00 1.52 H new ATOM 0 HA ASP A 31 -9.901 14.496 3.126 1.00 34.43 H new ATOM 0 HB2 ASP A 31 -11.672 12.303 1.979 1.00 3.43 H new ATOM 0 HB3 ASP A 31 -11.053 12.223 3.617 1.00 3.43 H new ATOM 521 N SER A 32 -8.612 12.081 3.437 1.00 4.33 N ATOM 522 CA SER A 32 -7.439 11.200 3.556 1.00 10.41 C ATOM 523 C SER A 32 -7.834 9.773 3.969 1.00 25.11 C ATOM 524 O SER A 32 -8.754 9.578 4.765 1.00 12.11 O ATOM 525 CB SER A 32 -6.443 11.772 4.576 1.00 12.34 C ATOM 526 OG SER A 32 -7.023 11.889 5.869 1.00 53.30 O ATOM 0 H SER A 32 -9.218 12.080 4.258 1.00 4.33 H new ATOM 0 HA SER A 32 -6.971 11.151 2.573 1.00 10.41 H new ATOM 0 HB2 SER A 32 -5.565 11.128 4.628 1.00 12.34 H new ATOM 0 HB3 SER A 32 -6.101 12.751 4.241 1.00 12.34 H new ATOM 0 HG SER A 32 -6.361 12.254 6.493 1.00 53.30 H new ATOM 532 N VAL A 33 -7.114 8.782 3.443 1.00 53.41 N ATOM 533 CA VAL A 33 -7.395 7.368 3.732 1.00 44.35 C ATOM 534 C VAL A 33 -6.127 6.625 4.197 1.00 43.43 C ATOM 535 O VAL A 33 -5.005 7.012 3.855 1.00 21.34 O ATOM 536 CB VAL A 33 -7.975 6.657 2.482 1.00 30.54 C ATOM 537 CG1 VAL A 33 -6.957 6.646 1.345 1.00 52.13 C ATOM 538 CG2 VAL A 33 -8.438 5.240 2.819 1.00 23.35 C ATOM 0 H VAL A 33 -6.327 8.930 2.811 1.00 53.41 H new ATOM 0 HA VAL A 33 -8.130 7.344 4.537 1.00 44.35 H new ATOM 0 HB VAL A 33 -8.847 7.219 2.149 1.00 30.54 H new ATOM 0 HG11 VAL A 33 -7.385 6.142 0.478 1.00 52.13 H new ATOM 0 HG12 VAL A 33 -6.698 7.671 1.078 1.00 52.13 H new ATOM 0 HG13 VAL A 33 -6.059 6.117 1.665 1.00 52.13 H new ATOM 0 HG21 VAL A 33 -8.840 4.766 1.924 1.00 23.35 H new ATOM 0 HG22 VAL A 33 -7.593 4.659 3.189 1.00 23.35 H new ATOM 0 HG23 VAL A 33 -9.212 5.283 3.585 1.00 23.35 H new ATOM 548 N LYS A 34 -6.315 5.562 4.986 1.00 73.44 N ATOM 549 CA LYS A 34 -5.198 4.738 5.470 1.00 15.24 C ATOM 550 C LYS A 34 -5.364 3.261 5.060 1.00 23.24 C ATOM 551 O LYS A 34 -6.435 2.673 5.219 1.00 31.53 O ATOM 552 CB LYS A 34 -5.088 4.843 6.999 1.00 5.44 C ATOM 553 CG LYS A 34 -6.324 4.341 7.743 1.00 0.23 C ATOM 554 CD LYS A 34 -6.166 4.445 9.259 1.00 45.13 C ATOM 555 CE LYS A 34 -7.382 3.887 9.991 1.00 43.42 C ATOM 556 NZ LYS A 34 -7.235 3.989 11.466 1.00 52.32 N ATOM 0 H LYS A 34 -7.232 5.250 5.305 1.00 73.44 H new ATOM 0 HA LYS A 34 -4.284 5.116 5.011 1.00 15.24 H new ATOM 0 HB2 LYS A 34 -4.220 4.274 7.331 1.00 5.44 H new ATOM 0 HB3 LYS A 34 -4.910 5.884 7.270 1.00 5.44 H new ATOM 0 HG2 LYS A 34 -7.194 4.918 7.430 1.00 0.23 H new ATOM 0 HG3 LYS A 34 -6.514 3.303 7.469 1.00 0.23 H new ATOM 0 HD2 LYS A 34 -5.273 3.903 9.570 1.00 45.13 H new ATOM 0 HD3 LYS A 34 -6.019 5.488 9.539 1.00 45.13 H new ATOM 0 HE2 LYS A 34 -8.275 4.428 9.677 1.00 43.42 H new ATOM 0 HE3 LYS A 34 -7.527 2.843 9.712 1.00 43.42 H new ATOM 0 HZ1 LYS A 34 -8.082 3.599 11.927 1.00 52.32 H new ATOM 0 HZ2 LYS A 34 -6.398 3.452 11.769 1.00 52.32 H new ATOM 0 HZ3 LYS A 34 -7.123 4.987 11.735 1.00 52.32 H new ATOM 570 N LEU A 35 -4.296 2.673 4.525 1.00 74.40 N ATOM 571 CA LEU A 35 -4.288 1.249 4.153 1.00 74.31 C ATOM 572 C LEU A 35 -3.120 0.516 4.836 1.00 30.11 C ATOM 573 O LEU A 35 -1.956 0.798 4.555 1.00 22.13 O ATOM 574 CB LEU A 35 -4.178 1.101 2.625 1.00 3.41 C ATOM 575 CG LEU A 35 -5.332 1.719 1.807 1.00 40.41 C ATOM 576 CD1 LEU A 35 -5.061 1.593 0.308 1.00 12.00 C ATOM 577 CD2 LEU A 35 -6.667 1.072 2.177 1.00 15.44 C ATOM 0 H LEU A 35 -3.419 3.158 4.337 1.00 74.40 H new ATOM 0 HA LEU A 35 -5.223 0.801 4.489 1.00 74.31 H new ATOM 0 HB2 LEU A 35 -3.243 1.557 2.301 1.00 3.41 H new ATOM 0 HB3 LEU A 35 -4.115 0.040 2.385 1.00 3.41 H new ATOM 0 HG LEU A 35 -5.393 2.780 2.051 1.00 40.41 H new ATOM 0 HD11 LEU A 35 -5.887 2.035 -0.249 1.00 12.00 H new ATOM 0 HD12 LEU A 35 -4.136 2.114 0.060 1.00 12.00 H new ATOM 0 HD13 LEU A 35 -4.966 0.540 0.043 1.00 12.00 H new ATOM 0 HD21 LEU A 35 -7.466 1.523 1.588 1.00 15.44 H new ATOM 0 HD22 LEU A 35 -6.623 0.003 1.970 1.00 15.44 H new ATOM 0 HD23 LEU A 35 -6.865 1.228 3.237 1.00 15.44 H new ATOM 589 N GLU A 36 -3.428 -0.426 5.733 1.00 70.44 N ATOM 590 CA GLU A 36 -2.387 -1.143 6.489 1.00 32.33 C ATOM 591 C GLU A 36 -2.505 -2.671 6.352 1.00 1.12 C ATOM 592 O GLU A 36 -3.601 -3.216 6.180 1.00 24.35 O ATOM 593 CB GLU A 36 -2.434 -0.752 7.976 1.00 53.41 C ATOM 594 CG GLU A 36 -3.775 -1.032 8.654 1.00 44.41 C ATOM 595 CD GLU A 36 -3.744 -0.813 10.160 1.00 23.23 C ATOM 596 OE1 GLU A 36 -2.853 -0.087 10.651 1.00 13.35 O ATOM 597 OE2 GLU A 36 -4.621 -1.362 10.863 1.00 64.24 O ATOM 0 H GLU A 36 -4.382 -0.711 5.955 1.00 70.44 H new ATOM 0 HA GLU A 36 -1.430 -0.847 6.060 1.00 32.33 H new ATOM 0 HB2 GLU A 36 -1.651 -1.293 8.507 1.00 53.41 H new ATOM 0 HB3 GLU A 36 -2.207 0.310 8.068 1.00 53.41 H new ATOM 0 HG2 GLU A 36 -4.538 -0.388 8.216 1.00 44.41 H new ATOM 0 HG3 GLU A 36 -4.070 -2.061 8.449 1.00 44.41 H new ATOM 604 N CYS A 37 -1.361 -3.352 6.439 1.00 64.20 N ATOM 605 CA CYS A 37 -1.302 -4.819 6.371 1.00 13.33 C ATOM 606 C CYS A 37 -0.056 -5.359 7.097 1.00 20.22 C ATOM 607 O CYS A 37 0.889 -4.616 7.364 1.00 42.53 O ATOM 608 CB CYS A 37 -1.296 -5.285 4.908 1.00 62.44 C ATOM 609 SG CYS A 37 0.065 -4.619 3.919 1.00 14.31 S ATOM 0 H CYS A 37 -0.451 -2.907 6.558 1.00 64.20 H new ATOM 0 HA CYS A 37 -2.188 -5.213 6.870 1.00 13.33 H new ATOM 0 HB2 CYS A 37 -1.247 -6.374 4.886 1.00 62.44 H new ATOM 0 HB3 CYS A 37 -2.240 -4.999 4.444 1.00 62.44 H new ATOM 0 HG CYS A 37 -0.019 -5.073 2.704 1.00 14.31 H new ATOM 615 N GLN A 38 -0.061 -6.655 7.413 1.00 74.30 N ATOM 616 CA GLN A 38 1.075 -7.302 8.092 1.00 15.23 C ATOM 617 C GLN A 38 1.840 -8.233 7.134 1.00 71.04 C ATOM 618 O GLN A 38 1.254 -9.146 6.545 1.00 2.10 O ATOM 619 CB GLN A 38 0.585 -8.117 9.302 1.00 62.30 C ATOM 620 CG GLN A 38 -0.048 -7.288 10.420 1.00 34.11 C ATOM 621 CD GLN A 38 0.941 -6.401 11.166 1.00 35.13 C ATOM 622 OE1 GLN A 38 0.581 -5.346 11.672 1.00 4.11 O ATOM 623 NE2 GLN A 38 2.190 -6.820 11.253 1.00 1.02 N ATOM 0 H GLN A 38 -0.839 -7.283 7.211 1.00 74.30 H new ATOM 0 HA GLN A 38 1.747 -6.513 8.429 1.00 15.23 H new ATOM 0 HB2 GLN A 38 -0.143 -8.851 8.957 1.00 62.30 H new ATOM 0 HB3 GLN A 38 1.428 -8.672 9.713 1.00 62.30 H new ATOM 0 HG2 GLN A 38 -0.833 -6.663 9.995 1.00 34.11 H new ATOM 0 HG3 GLN A 38 -0.526 -7.961 11.132 1.00 34.11 H new ATOM 0 HE21 GLN A 38 2.463 -7.703 10.822 1.00 1.02 H new ATOM 0 HE22 GLN A 38 2.882 -6.260 11.751 1.00 1.02 H new ATOM 632 N ILE A 39 3.146 -8.002 6.984 1.00 23.32 N ATOM 633 CA ILE A 39 3.996 -8.830 6.111 1.00 42.20 C ATOM 634 C ILE A 39 5.178 -9.438 6.887 1.00 21.02 C ATOM 635 O ILE A 39 6.028 -8.716 7.407 1.00 4.13 O ATOM 636 CB ILE A 39 4.548 -8.005 4.919 1.00 22.02 C ATOM 637 CG1 ILE A 39 3.394 -7.386 4.110 1.00 61.44 C ATOM 638 CG2 ILE A 39 5.434 -8.876 4.023 1.00 2.12 C ATOM 639 CD1 ILE A 39 3.847 -6.518 2.951 1.00 54.12 C ATOM 0 H ILE A 39 3.644 -7.247 7.456 1.00 23.32 H new ATOM 0 HA ILE A 39 3.366 -9.635 5.733 1.00 42.20 H new ATOM 0 HB ILE A 39 5.160 -7.195 5.316 1.00 22.02 H new ATOM 0 HG12 ILE A 39 2.763 -8.187 3.725 1.00 61.44 H new ATOM 0 HG13 ILE A 39 2.776 -6.787 4.779 1.00 61.44 H new ATOM 0 HG21 ILE A 39 5.811 -8.278 3.193 1.00 2.12 H new ATOM 0 HG22 ILE A 39 6.272 -9.260 4.604 1.00 2.12 H new ATOM 0 HG23 ILE A 39 4.850 -9.710 3.634 1.00 2.12 H new ATOM 0 HD11 ILE A 39 2.975 -6.120 2.432 1.00 54.12 H new ATOM 0 HD12 ILE A 39 4.452 -5.694 3.329 1.00 54.12 H new ATOM 0 HD13 ILE A 39 4.440 -7.116 2.259 1.00 54.12 H new ATOM 651 N SER A 40 5.231 -10.766 6.955 1.00 42.34 N ATOM 652 CA SER A 40 6.326 -11.469 7.650 1.00 3.34 C ATOM 653 C SER A 40 7.421 -11.915 6.670 1.00 62.50 C ATOM 654 O SER A 40 7.238 -12.868 5.911 1.00 50.44 O ATOM 655 CB SER A 40 5.782 -12.691 8.406 1.00 62.55 C ATOM 656 OG SER A 40 6.829 -13.432 9.022 1.00 51.21 O ATOM 0 H SER A 40 4.533 -11.384 6.540 1.00 42.34 H new ATOM 0 HA SER A 40 6.767 -10.769 8.360 1.00 3.34 H new ATOM 0 HB2 SER A 40 5.071 -12.364 9.165 1.00 62.55 H new ATOM 0 HB3 SER A 40 5.237 -13.334 7.715 1.00 62.55 H new ATOM 0 HG SER A 40 6.450 -14.202 9.496 1.00 51.21 H new ATOM 662 N ALA A 41 8.542 -11.192 6.658 1.00 64.23 N ATOM 663 CA ALA A 41 9.696 -11.541 5.814 1.00 1.11 C ATOM 664 C ALA A 41 11.020 -11.495 6.597 1.00 24.23 C ATOM 665 O ALA A 41 11.167 -10.711 7.536 1.00 14.21 O ATOM 666 CB ALA A 41 9.769 -10.607 4.616 1.00 52.04 C ATOM 0 H ALA A 41 8.680 -10.356 7.225 1.00 64.23 H new ATOM 0 HA ALA A 41 9.552 -12.566 5.471 1.00 1.11 H new ATOM 0 HB1 ALA A 41 10.626 -10.874 3.998 1.00 52.04 H new ATOM 0 HB2 ALA A 41 8.856 -10.698 4.028 1.00 52.04 H new ATOM 0 HB3 ALA A 41 9.877 -9.579 4.962 1.00 52.04 H new ATOM 672 N ILE A 42 11.984 -12.330 6.197 1.00 34.10 N ATOM 673 CA ILE A 42 13.329 -12.319 6.797 1.00 24.13 C ATOM 674 C ILE A 42 14.419 -12.451 5.710 1.00 21.14 C ATOM 675 O ILE A 42 14.588 -13.526 5.127 1.00 64.24 O ATOM 676 CB ILE A 42 13.513 -13.469 7.828 1.00 33.44 C ATOM 677 CG1 ILE A 42 12.466 -13.375 8.952 1.00 34.11 C ATOM 678 CG2 ILE A 42 14.929 -13.450 8.413 1.00 22.35 C ATOM 679 CD1 ILE A 42 12.584 -14.471 9.993 1.00 25.23 C ATOM 0 H ILE A 42 11.861 -13.024 5.460 1.00 34.10 H new ATOM 0 HA ILE A 42 13.432 -11.364 7.311 1.00 24.13 H new ATOM 0 HB ILE A 42 13.367 -14.414 7.305 1.00 33.44 H new ATOM 0 HG12 ILE A 42 12.562 -12.407 9.445 1.00 34.11 H new ATOM 0 HG13 ILE A 42 11.470 -13.411 8.511 1.00 34.11 H new ATOM 0 HG21 ILE A 42 15.037 -14.262 9.132 1.00 22.35 H new ATOM 0 HG22 ILE A 42 15.656 -13.577 7.611 1.00 22.35 H new ATOM 0 HG23 ILE A 42 15.103 -12.497 8.913 1.00 22.35 H new ATOM 0 HD11 ILE A 42 11.813 -14.337 10.751 1.00 25.23 H new ATOM 0 HD12 ILE A 42 12.458 -15.442 9.515 1.00 25.23 H new ATOM 0 HD13 ILE A 42 13.567 -14.423 10.462 1.00 25.23 H new ATOM 691 N PRO A 43 15.162 -11.370 5.397 1.00 50.55 N ATOM 692 CA PRO A 43 14.946 -10.023 5.973 1.00 22.23 C ATOM 693 C PRO A 43 13.724 -9.294 5.369 1.00 51.42 C ATOM 694 O PRO A 43 13.083 -9.801 4.445 1.00 71.33 O ATOM 695 CB PRO A 43 16.249 -9.294 5.608 1.00 51.02 C ATOM 696 CG PRO A 43 16.688 -9.934 4.337 1.00 4.55 C ATOM 697 CD PRO A 43 16.303 -11.388 4.455 1.00 20.32 C ATOM 0 HA PRO A 43 14.733 -10.061 7.041 1.00 22.23 H new ATOM 0 HB2 PRO A 43 16.083 -8.225 5.478 1.00 51.02 H new ATOM 0 HB3 PRO A 43 17.000 -9.407 6.390 1.00 51.02 H new ATOM 0 HG2 PRO A 43 16.204 -9.470 3.478 1.00 4.55 H new ATOM 0 HG3 PRO A 43 17.763 -9.824 4.195 1.00 4.55 H new ATOM 0 HD2 PRO A 43 16.019 -11.807 3.490 1.00 20.32 H new ATOM 0 HD3 PRO A 43 17.127 -11.992 4.835 1.00 20.32 H new ATOM 705 N PRO A 44 13.356 -8.110 5.913 1.00 34.44 N ATOM 706 CA PRO A 44 12.268 -7.284 5.355 1.00 63.23 C ATOM 707 C PRO A 44 12.389 -7.068 3.831 1.00 61.04 C ATOM 708 O PRO A 44 13.485 -6.854 3.307 1.00 75.52 O ATOM 709 CB PRO A 44 12.425 -5.955 6.103 1.00 21.01 C ATOM 710 CG PRO A 44 13.013 -6.342 7.417 1.00 2.04 C ATOM 711 CD PRO A 44 13.937 -7.499 7.128 1.00 73.32 C ATOM 0 HA PRO A 44 11.295 -7.758 5.483 1.00 63.23 H new ATOM 0 HB2 PRO A 44 13.076 -5.268 5.562 1.00 21.01 H new ATOM 0 HB3 PRO A 44 11.466 -5.453 6.228 1.00 21.01 H new ATOM 0 HG2 PRO A 44 13.557 -5.509 7.863 1.00 2.04 H new ATOM 0 HG3 PRO A 44 12.235 -6.630 8.124 1.00 2.04 H new ATOM 0 HD2 PRO A 44 14.960 -7.163 6.958 1.00 73.32 H new ATOM 0 HD3 PRO A 44 13.967 -8.206 7.957 1.00 73.32 H new ATOM 719 N PRO A 45 11.257 -7.099 3.099 1.00 41.45 N ATOM 720 CA PRO A 45 11.254 -7.040 1.636 1.00 52.30 C ATOM 721 C PRO A 45 11.102 -5.615 1.076 1.00 14.44 C ATOM 722 O PRO A 45 10.722 -4.683 1.792 1.00 34.11 O ATOM 723 CB PRO A 45 10.018 -7.875 1.306 1.00 73.34 C ATOM 724 CG PRO A 45 9.054 -7.569 2.416 1.00 3.14 C ATOM 725 CD PRO A 45 9.883 -7.184 3.627 1.00 61.12 C ATOM 0 HA PRO A 45 12.191 -7.391 1.203 1.00 52.30 H new ATOM 0 HB2 PRO A 45 9.604 -7.605 0.334 1.00 73.34 H new ATOM 0 HB3 PRO A 45 10.255 -8.938 1.267 1.00 73.34 H new ATOM 0 HG2 PRO A 45 8.384 -6.757 2.133 1.00 3.14 H new ATOM 0 HG3 PRO A 45 8.430 -8.435 2.635 1.00 3.14 H new ATOM 0 HD2 PRO A 45 9.557 -6.233 4.049 1.00 61.12 H new ATOM 0 HD3 PRO A 45 9.804 -7.929 4.419 1.00 61.12 H new ATOM 733 N LYS A 46 11.390 -5.460 -0.214 1.00 71.01 N ATOM 734 CA LYS A 46 11.204 -4.181 -0.905 1.00 32.14 C ATOM 735 C LYS A 46 9.728 -4.008 -1.312 1.00 55.21 C ATOM 736 O LYS A 46 9.132 -4.913 -1.900 1.00 24.52 O ATOM 737 CB LYS A 46 12.107 -4.124 -2.146 1.00 51.11 C ATOM 738 CG LYS A 46 12.207 -2.742 -2.783 1.00 44.03 C ATOM 739 CD LYS A 46 12.889 -1.738 -1.856 1.00 5.40 C ATOM 740 CE LYS A 46 13.124 -0.402 -2.546 1.00 74.41 C ATOM 741 NZ LYS A 46 13.835 0.556 -1.659 1.00 42.31 N ATOM 0 H LYS A 46 11.755 -6.206 -0.806 1.00 71.01 H new ATOM 0 HA LYS A 46 11.477 -3.369 -0.231 1.00 32.14 H new ATOM 0 HB2 LYS A 46 13.107 -4.458 -1.869 1.00 51.11 H new ATOM 0 HB3 LYS A 46 11.730 -4.828 -2.888 1.00 51.11 H new ATOM 0 HG2 LYS A 46 12.765 -2.812 -3.717 1.00 44.03 H new ATOM 0 HG3 LYS A 46 11.208 -2.385 -3.034 1.00 44.03 H new ATOM 0 HD2 LYS A 46 12.274 -1.586 -0.969 1.00 5.40 H new ATOM 0 HD3 LYS A 46 13.842 -2.145 -1.517 1.00 5.40 H new ATOM 0 HE2 LYS A 46 13.706 -0.559 -3.454 1.00 74.41 H new ATOM 0 HE3 LYS A 46 12.168 0.024 -2.850 1.00 74.41 H new ATOM 0 HZ1 LYS A 46 13.978 1.455 -2.162 1.00 42.31 H new ATOM 0 HZ2 LYS A 46 13.267 0.724 -0.804 1.00 42.31 H new ATOM 0 HZ3 LYS A 46 14.758 0.160 -1.389 1.00 42.31 H new ATOM 755 N LEU A 47 9.142 -2.854 -0.991 1.00 55.31 N ATOM 756 CA LEU A 47 7.710 -2.622 -1.224 1.00 54.12 C ATOM 757 C LEU A 47 7.461 -1.757 -2.472 1.00 23.01 C ATOM 758 O LEU A 47 8.072 -0.702 -2.643 1.00 42.21 O ATOM 759 CB LEU A 47 7.086 -1.943 0.004 1.00 45.31 C ATOM 760 CG LEU A 47 7.349 -2.641 1.350 1.00 51.53 C ATOM 761 CD1 LEU A 47 6.710 -1.859 2.490 1.00 35.22 C ATOM 762 CD2 LEU A 47 6.839 -4.079 1.334 1.00 21.12 C ATOM 0 H LEU A 47 9.633 -2.065 -0.570 1.00 55.31 H new ATOM 0 HA LEU A 47 7.244 -3.593 -1.393 1.00 54.12 H new ATOM 0 HB2 LEU A 47 7.463 -0.922 0.064 1.00 45.31 H new ATOM 0 HB3 LEU A 47 6.009 -1.877 -0.147 1.00 45.31 H new ATOM 0 HG LEU A 47 8.427 -2.670 1.509 1.00 51.53 H new ATOM 0 HD11 LEU A 47 6.906 -2.367 3.434 1.00 35.22 H new ATOM 0 HD12 LEU A 47 7.132 -0.855 2.524 1.00 35.22 H new ATOM 0 HD13 LEU A 47 5.634 -1.795 2.329 1.00 35.22 H new ATOM 0 HD21 LEU A 47 7.039 -4.547 2.298 1.00 21.12 H new ATOM 0 HD22 LEU A 47 5.766 -4.082 1.145 1.00 21.12 H new ATOM 0 HD23 LEU A 47 7.348 -4.637 0.548 1.00 21.12 H new ATOM 774 N PHE A 48 6.560 -2.216 -3.339 1.00 53.20 N ATOM 775 CA PHE A 48 6.162 -1.462 -4.538 1.00 1.40 C ATOM 776 C PHE A 48 4.633 -1.296 -4.615 1.00 30.05 C ATOM 777 O PHE A 48 3.898 -2.281 -4.655 1.00 70.23 O ATOM 778 CB PHE A 48 6.665 -2.168 -5.806 1.00 21.25 C ATOM 779 CG PHE A 48 8.169 -2.280 -5.893 1.00 20.42 C ATOM 780 CD1 PHE A 48 8.938 -1.191 -6.280 1.00 43.34 C ATOM 781 CD2 PHE A 48 8.813 -3.476 -5.595 1.00 5.24 C ATOM 782 CE1 PHE A 48 10.314 -1.291 -6.367 1.00 1.20 C ATOM 783 CE2 PHE A 48 10.189 -3.578 -5.681 1.00 72.53 C ATOM 784 CZ PHE A 48 10.940 -2.486 -6.068 1.00 43.23 C ATOM 0 H PHE A 48 6.086 -3.113 -3.236 1.00 53.20 H new ATOM 0 HA PHE A 48 6.614 -0.473 -4.469 1.00 1.40 H new ATOM 0 HB2 PHE A 48 6.234 -3.168 -5.848 1.00 21.25 H new ATOM 0 HB3 PHE A 48 6.300 -1.627 -6.679 1.00 21.25 H new ATOM 0 HD1 PHE A 48 8.455 -0.254 -6.516 1.00 43.34 H new ATOM 0 HD2 PHE A 48 8.232 -4.335 -5.293 1.00 5.24 H new ATOM 0 HE1 PHE A 48 10.900 -0.435 -6.669 1.00 1.20 H new ATOM 0 HE2 PHE A 48 10.677 -4.512 -5.445 1.00 72.53 H new ATOM 0 HZ PHE A 48 12.015 -2.566 -6.137 1.00 43.23 H new ATOM 794 N TRP A 49 4.157 -0.050 -4.633 1.00 53.20 N ATOM 795 CA TRP A 49 2.721 0.237 -4.782 1.00 21.44 C ATOM 796 C TRP A 49 2.427 0.889 -6.143 1.00 1.33 C ATOM 797 O TRP A 49 3.084 1.857 -6.536 1.00 62.20 O ATOM 798 CB TRP A 49 2.230 1.158 -3.653 1.00 64.21 C ATOM 799 CG TRP A 49 2.219 0.515 -2.296 1.00 0.33 C ATOM 800 CD1 TRP A 49 3.296 0.256 -1.499 1.00 25.22 C ATOM 801 CD2 TRP A 49 1.068 0.059 -1.574 1.00 62.12 C ATOM 802 NE1 TRP A 49 2.887 -0.328 -0.327 1.00 63.53 N ATOM 803 CE2 TRP A 49 1.523 -0.460 -0.347 1.00 21.02 C ATOM 804 CE3 TRP A 49 -0.301 0.040 -1.846 1.00 51.32 C ATOM 805 CZ2 TRP A 49 0.656 -0.988 0.607 1.00 22.43 C ATOM 806 CZ3 TRP A 49 -1.162 -0.485 -0.898 1.00 71.53 C ATOM 807 CH2 TRP A 49 -0.681 -0.994 0.315 1.00 64.42 C ATOM 0 H TRP A 49 4.742 0.781 -4.546 1.00 53.20 H new ATOM 0 HA TRP A 49 2.188 -0.712 -4.725 1.00 21.44 H new ATOM 0 HB2 TRP A 49 2.866 2.043 -3.618 1.00 64.21 H new ATOM 0 HB3 TRP A 49 1.222 1.499 -3.890 1.00 64.21 H new ATOM 0 HD1 TRP A 49 4.322 0.479 -1.754 1.00 25.22 H new ATOM 0 HE1 TRP A 49 3.499 -0.617 0.436 1.00 63.53 H new ATOM 0 HE3 TRP A 49 -0.681 0.428 -2.779 1.00 51.32 H new ATOM 0 HZ2 TRP A 49 1.026 -1.379 1.544 1.00 22.43 H new ATOM 0 HZ3 TRP A 49 -2.223 -0.502 -1.097 1.00 71.53 H new ATOM 0 HH2 TRP A 49 -1.378 -1.399 1.033 1.00 64.42 H new ATOM 818 N LYS A 50 1.437 0.362 -6.862 1.00 45.44 N ATOM 819 CA LYS A 50 1.063 0.909 -8.172 1.00 42.51 C ATOM 820 C LYS A 50 -0.455 1.162 -8.263 1.00 30.21 C ATOM 821 O LYS A 50 -1.256 0.277 -7.975 1.00 3.11 O ATOM 822 CB LYS A 50 1.524 -0.047 -9.281 1.00 31.10 C ATOM 823 CG LYS A 50 1.328 0.514 -10.682 1.00 22.44 C ATOM 824 CD LYS A 50 1.919 -0.393 -11.755 1.00 73.44 C ATOM 825 CE LYS A 50 1.250 -1.763 -11.780 1.00 11.02 C ATOM 826 NZ LYS A 50 1.712 -2.577 -12.933 1.00 72.21 N ATOM 0 H LYS A 50 0.880 -0.439 -6.564 1.00 45.44 H new ATOM 0 HA LYS A 50 1.560 1.871 -8.300 1.00 42.51 H new ATOM 0 HB2 LYS A 50 2.579 -0.279 -9.135 1.00 31.10 H new ATOM 0 HB3 LYS A 50 0.976 -0.985 -9.193 1.00 31.10 H new ATOM 0 HG2 LYS A 50 0.263 0.651 -10.871 1.00 22.44 H new ATOM 0 HG3 LYS A 50 1.792 1.498 -10.745 1.00 22.44 H new ATOM 0 HD2 LYS A 50 1.810 0.081 -12.730 1.00 73.44 H new ATOM 0 HD3 LYS A 50 2.988 -0.515 -11.578 1.00 73.44 H new ATOM 0 HE2 LYS A 50 1.466 -2.291 -10.851 1.00 11.02 H new ATOM 0 HE3 LYS A 50 0.168 -1.639 -11.832 1.00 11.02 H new ATOM 0 HZ1 LYS A 50 1.535 -3.584 -12.740 1.00 72.21 H new ATOM 0 HZ2 LYS A 50 1.194 -2.292 -13.789 1.00 72.21 H new ATOM 0 HZ3 LYS A 50 2.731 -2.426 -13.079 1.00 72.21 H new ATOM 840 N ARG A 51 -0.842 2.370 -8.686 1.00 10.51 N ATOM 841 CA ARG A 51 -2.260 2.774 -8.739 1.00 12.23 C ATOM 842 C ARG A 51 -2.778 2.847 -10.183 1.00 72.13 C ATOM 843 O ARG A 51 -2.287 3.641 -10.978 1.00 73.14 O ATOM 844 CB ARG A 51 -2.433 4.151 -8.080 1.00 63.53 C ATOM 845 CG ARG A 51 -3.834 4.738 -8.234 1.00 73.13 C ATOM 846 CD ARG A 51 -3.913 6.169 -7.709 1.00 61.32 C ATOM 847 NE ARG A 51 -2.961 7.060 -8.374 1.00 74.13 N ATOM 848 CZ ARG A 51 -3.268 7.878 -9.347 1.00 32.30 C ATOM 849 NH1 ARG A 51 -4.483 7.940 -9.802 1.00 25.14 N ATOM 850 NH2 ARG A 51 -2.357 8.638 -9.863 1.00 0.11 N ATOM 0 H ARG A 51 -0.193 3.092 -8.999 1.00 10.51 H new ATOM 0 HA ARG A 51 -2.836 2.019 -8.204 1.00 12.23 H new ATOM 0 HB2 ARG A 51 -2.199 4.067 -7.019 1.00 63.53 H new ATOM 0 HB3 ARG A 51 -1.710 4.843 -8.512 1.00 63.53 H new ATOM 0 HG2 ARG A 51 -4.121 4.721 -9.285 1.00 73.13 H new ATOM 0 HG3 ARG A 51 -4.550 4.115 -7.698 1.00 73.13 H new ATOM 0 HD2 ARG A 51 -4.924 6.550 -7.852 1.00 61.32 H new ATOM 0 HD3 ARG A 51 -3.720 6.171 -6.636 1.00 61.32 H new ATOM 0 HE ARG A 51 -1.992 7.042 -8.057 1.00 74.13 H new ATOM 0 HH11 ARG A 51 -5.209 7.347 -9.400 1.00 25.14 H new ATOM 0 HH12 ARG A 51 -4.711 8.582 -10.561 1.00 25.14 H new ATOM 0 HH21 ARG A 51 -1.401 8.599 -9.511 1.00 0.11 H new ATOM 0 HH22 ARG A 51 -2.595 9.276 -10.622 1.00 0.11 H new ATOM 864 N ASN A 52 -3.781 2.023 -10.511 1.00 3.53 N ATOM 865 CA ASN A 52 -4.384 2.019 -11.858 1.00 62.14 C ATOM 866 C ASN A 52 -3.313 1.738 -12.937 1.00 24.24 C ATOM 867 O ASN A 52 -3.424 2.177 -14.081 1.00 10.34 O ATOM 868 CB ASN A 52 -5.094 3.363 -12.114 1.00 42.34 C ATOM 869 CG ASN A 52 -6.035 3.319 -13.309 1.00 45.23 C ATOM 870 OD1 ASN A 52 -5.653 3.602 -14.437 1.00 30.15 O ATOM 871 ND2 ASN A 52 -7.285 2.976 -13.069 1.00 4.22 N ATOM 0 H ASN A 52 -4.195 1.350 -9.866 1.00 3.53 H new ATOM 0 HA ASN A 52 -5.123 1.220 -11.914 1.00 62.14 H new ATOM 0 HB2 ASN A 52 -5.658 3.645 -11.225 1.00 42.34 H new ATOM 0 HB3 ASN A 52 -4.345 4.138 -12.276 1.00 42.34 H new ATOM 0 HD21 ASN A 52 -7.960 2.942 -13.833 1.00 4.22 H new ATOM 0 HD22 ASN A 52 -7.577 2.745 -12.119 1.00 4.22 H new ATOM 878 N ASN A 53 -2.288 0.979 -12.539 1.00 23.24 N ATOM 879 CA ASN A 53 -1.143 0.630 -13.397 1.00 44.22 C ATOM 880 C ASN A 53 -0.150 1.808 -13.552 1.00 34.11 C ATOM 881 O ASN A 53 0.802 1.733 -14.329 1.00 15.44 O ATOM 882 CB ASN A 53 -1.602 0.117 -14.772 1.00 43.12 C ATOM 883 CG ASN A 53 -0.485 -0.586 -15.520 1.00 65.32 C ATOM 884 OD1 ASN A 53 0.384 -1.214 -14.920 1.00 33.42 O ATOM 885 ND2 ASN A 53 -0.489 -0.481 -16.827 1.00 5.44 N ATOM 0 H ASN A 53 -2.226 0.583 -11.601 1.00 23.24 H new ATOM 0 HA ASN A 53 -0.613 -0.180 -12.895 1.00 44.22 H new ATOM 0 HB2 ASN A 53 -2.439 -0.569 -14.642 1.00 43.12 H new ATOM 0 HB3 ASN A 53 -1.966 0.954 -15.368 1.00 43.12 H new ATOM 0 HD21 ASN A 53 0.244 -0.928 -17.377 1.00 5.44 H new ATOM 0 HD22 ASN A 53 -1.226 0.048 -17.294 1.00 5.44 H new ATOM 892 N GLU A 54 -0.365 2.881 -12.796 1.00 72.42 N ATOM 893 CA GLU A 54 0.580 4.006 -12.745 1.00 40.52 C ATOM 894 C GLU A 54 1.410 3.962 -11.449 1.00 11.21 C ATOM 895 O GLU A 54 0.864 3.802 -10.355 1.00 42.22 O ATOM 896 CB GLU A 54 -0.170 5.345 -12.843 1.00 74.31 C ATOM 897 CG GLU A 54 -1.003 5.493 -14.115 1.00 71.44 C ATOM 898 CD GLU A 54 -1.626 6.873 -14.250 1.00 14.12 C ATOM 899 OE1 GLU A 54 -0.975 7.769 -14.833 1.00 4.13 O ATOM 900 OE2 GLU A 54 -2.759 7.074 -13.766 1.00 73.42 O ATOM 0 H GLU A 54 -1.188 3.001 -12.205 1.00 72.42 H new ATOM 0 HA GLU A 54 1.256 3.918 -13.595 1.00 40.52 H new ATOM 0 HB2 GLU A 54 -0.824 5.449 -11.977 1.00 74.31 H new ATOM 0 HB3 GLU A 54 0.552 6.160 -12.796 1.00 74.31 H new ATOM 0 HG2 GLU A 54 -0.373 5.297 -14.982 1.00 71.44 H new ATOM 0 HG3 GLU A 54 -1.792 4.741 -14.118 1.00 71.44 H new ATOM 907 N MET A 55 2.732 4.083 -11.579 1.00 30.22 N ATOM 908 CA MET A 55 3.647 4.034 -10.427 1.00 25.23 C ATOM 909 C MET A 55 3.320 5.125 -9.390 1.00 41.45 C ATOM 910 O MET A 55 3.247 6.311 -9.724 1.00 31.11 O ATOM 911 CB MET A 55 5.104 4.189 -10.904 1.00 61.22 C ATOM 912 CG MET A 55 6.161 3.995 -9.814 1.00 44.51 C ATOM 913 SD MET A 55 6.665 2.268 -9.593 1.00 61.21 S ATOM 914 CE MET A 55 5.228 1.539 -8.806 1.00 11.54 C ATOM 0 H MET A 55 3.200 4.217 -12.475 1.00 30.22 H new ATOM 0 HA MET A 55 3.519 3.065 -9.945 1.00 25.23 H new ATOM 0 HB2 MET A 55 5.289 3.469 -11.702 1.00 61.22 H new ATOM 0 HB3 MET A 55 5.226 5.182 -11.336 1.00 61.22 H new ATOM 0 HG2 MET A 55 7.039 4.592 -10.060 1.00 44.51 H new ATOM 0 HG3 MET A 55 5.771 4.375 -8.870 1.00 44.51 H new ATOM 0 HE1 MET A 55 5.548 0.754 -8.120 1.00 11.54 H new ATOM 0 HE2 MET A 55 4.688 2.307 -8.252 1.00 11.54 H new ATOM 0 HE3 MET A 55 4.574 1.112 -9.566 1.00 11.54 H new ATOM 924 N VAL A 56 3.126 4.721 -8.133 1.00 32.23 N ATOM 925 CA VAL A 56 2.823 5.665 -7.051 1.00 60.33 C ATOM 926 C VAL A 56 4.106 6.290 -6.476 1.00 13.22 C ATOM 927 O VAL A 56 4.982 5.583 -5.978 1.00 2.24 O ATOM 928 CB VAL A 56 2.042 4.971 -5.906 1.00 44.32 C ATOM 929 CG1 VAL A 56 1.718 5.958 -4.787 1.00 64.33 C ATOM 930 CG2 VAL A 56 0.766 4.316 -6.436 1.00 73.11 C ATOM 0 H VAL A 56 3.173 3.746 -7.837 1.00 32.23 H new ATOM 0 HA VAL A 56 2.206 6.453 -7.483 1.00 60.33 H new ATOM 0 HB VAL A 56 2.679 4.189 -5.492 1.00 44.32 H new ATOM 0 HG11 VAL A 56 1.170 5.445 -3.997 1.00 64.33 H new ATOM 0 HG12 VAL A 56 2.644 6.365 -4.381 1.00 64.33 H new ATOM 0 HG13 VAL A 56 1.108 6.770 -5.183 1.00 64.33 H new ATOM 0 HG21 VAL A 56 0.235 3.836 -5.614 1.00 73.11 H new ATOM 0 HG22 VAL A 56 0.127 5.076 -6.886 1.00 73.11 H new ATOM 0 HG23 VAL A 56 1.025 3.569 -7.186 1.00 73.11 H new ATOM 940 N GLN A 57 4.207 7.616 -6.543 1.00 42.25 N ATOM 941 CA GLN A 57 5.373 8.335 -6.014 1.00 14.00 C ATOM 942 C GLN A 57 5.126 8.813 -4.571 1.00 52.33 C ATOM 943 O GLN A 57 4.150 9.507 -4.291 1.00 24.23 O ATOM 944 CB GLN A 57 5.748 9.526 -6.921 1.00 41.03 C ATOM 945 CG GLN A 57 4.649 10.577 -7.115 1.00 4.40 C ATOM 946 CD GLN A 57 3.581 10.157 -8.116 1.00 42.41 C ATOM 947 OE1 GLN A 57 2.567 9.566 -7.759 1.00 13.11 O ATOM 948 NE2 GLN A 57 3.810 10.445 -9.382 1.00 63.42 N ATOM 0 H GLN A 57 3.496 8.218 -6.958 1.00 42.25 H new ATOM 0 HA GLN A 57 6.211 7.638 -6.001 1.00 14.00 H new ATOM 0 HB2 GLN A 57 6.627 10.017 -6.502 1.00 41.03 H new ATOM 0 HB3 GLN A 57 6.034 9.140 -7.899 1.00 41.03 H new ATOM 0 HG2 GLN A 57 4.176 10.779 -6.154 1.00 4.40 H new ATOM 0 HG3 GLN A 57 5.103 11.510 -7.449 1.00 4.40 H new ATOM 0 HE21 GLN A 57 4.663 10.938 -9.647 1.00 63.42 H new ATOM 0 HE22 GLN A 57 3.134 10.175 -10.097 1.00 63.42 H new ATOM 957 N PHE A 58 6.024 8.439 -3.659 1.00 22.20 N ATOM 958 CA PHE A 58 5.870 8.761 -2.232 1.00 73.11 C ATOM 959 C PHE A 58 6.631 10.042 -1.840 1.00 71.24 C ATOM 960 O PHE A 58 6.665 10.418 -0.668 1.00 24.23 O ATOM 961 CB PHE A 58 6.360 7.581 -1.380 1.00 14.43 C ATOM 962 CG PHE A 58 5.760 6.255 -1.783 1.00 72.11 C ATOM 963 CD1 PHE A 58 4.442 5.951 -1.478 1.00 73.35 C ATOM 964 CD2 PHE A 58 6.515 5.314 -2.475 1.00 21.13 C ATOM 965 CE1 PHE A 58 3.889 4.740 -1.852 1.00 30.00 C ATOM 966 CE2 PHE A 58 5.965 4.102 -2.849 1.00 51.31 C ATOM 967 CZ PHE A 58 4.653 3.816 -2.535 1.00 31.44 C ATOM 0 H PHE A 58 6.869 7.912 -3.880 1.00 22.20 H new ATOM 0 HA PHE A 58 4.811 8.941 -2.046 1.00 73.11 H new ATOM 0 HB2 PHE A 58 7.446 7.517 -1.453 1.00 14.43 H new ATOM 0 HB3 PHE A 58 6.122 7.775 -0.334 1.00 14.43 H new ATOM 0 HD1 PHE A 58 3.840 6.669 -0.942 1.00 73.35 H new ATOM 0 HD2 PHE A 58 7.543 5.533 -2.723 1.00 21.13 H new ATOM 0 HE1 PHE A 58 2.860 4.518 -1.610 1.00 30.00 H new ATOM 0 HE2 PHE A 58 6.562 3.380 -3.386 1.00 51.31 H new ATOM 0 HZ PHE A 58 4.223 2.868 -2.824 1.00 31.44 H new ATOM 977 N ASN A 59 7.223 10.717 -2.823 1.00 31.12 N ATOM 978 CA ASN A 59 8.026 11.927 -2.573 1.00 71.13 C ATOM 979 C ASN A 59 7.146 13.193 -2.479 1.00 54.11 C ATOM 980 O ASN A 59 7.543 14.279 -2.908 1.00 25.14 O ATOM 981 CB ASN A 59 9.072 12.083 -3.686 1.00 71.42 C ATOM 982 CG ASN A 59 8.438 12.191 -5.063 1.00 32.42 C ATOM 983 OD1 ASN A 59 8.183 11.190 -5.717 1.00 33.41 O ATOM 984 ND2 ASN A 59 8.177 13.402 -5.509 1.00 21.31 N ATOM 0 H ASN A 59 7.165 10.451 -3.806 1.00 31.12 H new ATOM 0 HA ASN A 59 8.526 11.812 -1.611 1.00 71.13 H new ATOM 0 HB2 ASN A 59 9.673 12.972 -3.495 1.00 71.42 H new ATOM 0 HB3 ASN A 59 9.750 11.230 -3.667 1.00 71.42 H new ATOM 0 HD21 ASN A 59 7.749 13.526 -6.426 1.00 21.31 H new ATOM 0 HD22 ASN A 59 8.403 14.216 -4.937 1.00 21.31 H new ATOM 991 N THR A 60 5.963 13.054 -1.884 1.00 64.14 N ATOM 992 CA THR A 60 5.008 14.167 -1.763 1.00 63.32 C ATOM 993 C THR A 60 4.293 14.152 -0.410 1.00 24.01 C ATOM 994 O THR A 60 4.248 13.129 0.271 1.00 70.23 O ATOM 995 CB THR A 60 3.944 14.138 -2.894 1.00 41.30 C ATOM 996 OG1 THR A 60 2.848 15.017 -2.581 1.00 33.14 O ATOM 997 CG2 THR A 60 3.420 12.724 -3.127 1.00 42.14 C ATOM 0 H THR A 60 5.636 12.179 -1.474 1.00 64.14 H new ATOM 0 HA THR A 60 5.595 15.082 -1.849 1.00 63.32 H new ATOM 0 HB THR A 60 4.428 14.481 -3.808 1.00 41.30 H new ATOM 0 HG1 THR A 60 2.188 14.988 -3.305 1.00 33.14 H new ATOM 0 HG21 THR A 60 2.677 12.738 -3.925 1.00 42.14 H new ATOM 0 HG22 THR A 60 4.246 12.072 -3.412 1.00 42.14 H new ATOM 0 HG23 THR A 60 2.962 12.350 -2.211 1.00 42.14 H new ATOM 1005 N ASP A 61 3.733 15.295 -0.020 1.00 52.44 N ATOM 1006 CA ASP A 61 2.971 15.390 1.226 1.00 42.42 C ATOM 1007 C ASP A 61 1.635 14.634 1.118 1.00 42.04 C ATOM 1008 O ASP A 61 1.111 14.138 2.114 1.00 74.35 O ATOM 1009 CB ASP A 61 2.727 16.861 1.585 1.00 41.41 C ATOM 1010 CG ASP A 61 1.936 17.027 2.875 1.00 44.43 C ATOM 1011 OD1 ASP A 61 2.258 16.344 3.868 1.00 24.11 O ATOM 1012 OD2 ASP A 61 0.998 17.851 2.903 1.00 72.23 O ATOM 0 H ASP A 61 3.791 16.167 -0.546 1.00 52.44 H new ATOM 0 HA ASP A 61 3.556 14.925 2.020 1.00 42.42 H new ATOM 0 HB2 ASP A 61 3.685 17.371 1.683 1.00 41.41 H new ATOM 0 HB3 ASP A 61 2.190 17.346 0.769 1.00 41.41 H new ATOM 1017 N ARG A 62 1.097 14.536 -0.100 1.00 35.21 N ATOM 1018 CA ARG A 62 -0.167 13.827 -0.331 1.00 51.40 C ATOM 1019 C ARG A 62 -0.014 12.303 -0.186 1.00 33.43 C ATOM 1020 O ARG A 62 -0.941 11.621 0.241 1.00 60.01 O ATOM 1021 CB ARG A 62 -0.732 14.158 -1.722 1.00 50.41 C ATOM 1022 CG ARG A 62 -1.270 15.581 -1.855 1.00 41.13 C ATOM 1023 CD ARG A 62 -1.824 15.845 -3.257 1.00 51.44 C ATOM 1024 NE ARG A 62 -2.644 17.054 -3.311 1.00 54.52 N ATOM 1025 CZ ARG A 62 -2.424 18.070 -4.100 1.00 43.22 C ATOM 1026 NH1 ARG A 62 -1.391 18.100 -4.882 1.00 52.44 N ATOM 1027 NH2 ARG A 62 -3.251 19.060 -4.109 1.00 22.12 N ATOM 0 H ARG A 62 1.514 14.937 -0.940 1.00 35.21 H new ATOM 0 HA ARG A 62 -0.863 14.170 0.435 1.00 51.40 H new ATOM 0 HB2 ARG A 62 0.050 14.006 -2.466 1.00 50.41 H new ATOM 0 HB3 ARG A 62 -1.533 13.455 -1.954 1.00 50.41 H new ATOM 0 HG2 ARG A 62 -2.055 15.744 -1.116 1.00 41.13 H new ATOM 0 HG3 ARG A 62 -0.474 16.293 -1.638 1.00 41.13 H new ATOM 0 HD2 ARG A 62 -0.997 15.938 -3.961 1.00 51.44 H new ATOM 0 HD3 ARG A 62 -2.420 14.990 -3.577 1.00 51.44 H new ATOM 0 HE ARG A 62 -3.448 17.107 -2.685 1.00 54.52 H new ATOM 0 HH11 ARG A 62 -0.733 17.321 -4.888 1.00 52.44 H new ATOM 0 HH12 ARG A 62 -1.236 18.903 -5.492 1.00 52.44 H new ATOM 0 HH21 ARG A 62 -4.071 19.045 -3.502 1.00 22.12 H new ATOM 0 HH22 ARG A 62 -3.085 19.857 -4.723 1.00 22.12 H new ATOM 1041 N ILE A 63 1.151 11.771 -0.542 1.00 52.21 N ATOM 1042 CA ILE A 63 1.377 10.320 -0.496 1.00 64.32 C ATOM 1043 C ILE A 63 2.596 9.974 0.370 1.00 63.12 C ATOM 1044 O ILE A 63 3.701 10.459 0.130 1.00 51.41 O ATOM 1045 CB ILE A 63 1.591 9.735 -1.919 1.00 31.42 C ATOM 1046 CG1 ILE A 63 0.433 10.117 -2.861 1.00 73.32 C ATOM 1047 CG2 ILE A 63 1.748 8.217 -1.857 1.00 25.23 C ATOM 1048 CD1 ILE A 63 -0.914 9.562 -2.447 1.00 62.24 C ATOM 0 H ILE A 63 1.952 12.314 -0.864 1.00 52.21 H new ATOM 0 HA ILE A 63 0.483 9.877 -0.056 1.00 64.32 H new ATOM 0 HB ILE A 63 2.508 10.166 -2.322 1.00 31.42 H new ATOM 0 HG12 ILE A 63 0.365 11.204 -2.913 1.00 73.32 H new ATOM 0 HG13 ILE A 63 0.665 9.764 -3.866 1.00 73.32 H new ATOM 0 HG21 ILE A 63 1.897 7.825 -2.863 1.00 25.23 H new ATOM 0 HG22 ILE A 63 2.609 7.965 -1.238 1.00 25.23 H new ATOM 0 HG23 ILE A 63 0.850 7.776 -1.425 1.00 25.23 H new ATOM 0 HD11 ILE A 63 -1.673 9.877 -3.163 1.00 62.24 H new ATOM 0 HD12 ILE A 63 -0.867 8.473 -2.424 1.00 62.24 H new ATOM 0 HD13 ILE A 63 -1.172 9.935 -1.456 1.00 62.24 H new ATOM 1060 N SER A 64 2.395 9.118 1.367 1.00 11.11 N ATOM 1061 CA SER A 64 3.493 8.684 2.242 1.00 54.42 C ATOM 1062 C SER A 64 3.326 7.221 2.665 1.00 63.34 C ATOM 1063 O SER A 64 2.270 6.820 3.159 1.00 21.10 O ATOM 1064 CB SER A 64 3.583 9.579 3.487 1.00 30.30 C ATOM 1065 OG SER A 64 2.416 9.487 4.296 1.00 3.24 O ATOM 0 H SER A 64 1.488 8.709 1.593 1.00 11.11 H new ATOM 0 HA SER A 64 4.418 8.773 1.672 1.00 54.42 H new ATOM 0 HB2 SER A 64 4.455 9.295 4.076 1.00 30.30 H new ATOM 0 HB3 SER A 64 3.730 10.614 3.179 1.00 30.30 H new ATOM 0 HG SER A 64 2.513 10.069 5.078 1.00 3.24 H new ATOM 1071 N LEU A 65 4.377 6.431 2.466 1.00 11.33 N ATOM 1072 CA LEU A 65 4.377 5.009 2.835 1.00 55.42 C ATOM 1073 C LEU A 65 5.403 4.727 3.938 1.00 54.14 C ATOM 1074 O LEU A 65 6.544 5.188 3.867 1.00 44.51 O ATOM 1075 CB LEU A 65 4.711 4.153 1.605 1.00 31.53 C ATOM 1076 CG LEU A 65 4.802 2.636 1.853 1.00 71.04 C ATOM 1077 CD1 LEU A 65 3.423 2.051 2.151 1.00 5.22 C ATOM 1078 CD2 LEU A 65 5.458 1.931 0.668 1.00 63.10 C ATOM 0 H LEU A 65 5.250 6.751 2.047 1.00 11.33 H new ATOM 0 HA LEU A 65 3.384 4.756 3.207 1.00 55.42 H new ATOM 0 HB2 LEU A 65 3.953 4.333 0.843 1.00 31.53 H new ATOM 0 HB3 LEU A 65 5.662 4.493 1.195 1.00 31.53 H new ATOM 0 HG LEU A 65 5.430 2.470 2.728 1.00 71.04 H new ATOM 0 HD11 LEU A 65 3.512 0.978 2.323 1.00 5.22 H new ATOM 0 HD12 LEU A 65 3.010 2.528 3.040 1.00 5.22 H new ATOM 0 HD13 LEU A 65 2.761 2.229 1.303 1.00 5.22 H new ATOM 0 HD21 LEU A 65 5.512 0.860 0.866 1.00 63.10 H new ATOM 0 HD22 LEU A 65 4.867 2.105 -0.231 1.00 63.10 H new ATOM 0 HD23 LEU A 65 6.464 2.324 0.523 1.00 63.10 H new ATOM 1090 N TYR A 66 5.009 3.968 4.956 1.00 3.20 N ATOM 1091 CA TYR A 66 5.945 3.568 6.011 1.00 45.10 C ATOM 1092 C TYR A 66 5.691 2.133 6.483 1.00 60.40 C ATOM 1093 O TYR A 66 4.544 1.695 6.608 1.00 14.42 O ATOM 1094 CB TYR A 66 5.895 4.550 7.197 1.00 34.12 C ATOM 1095 CG TYR A 66 4.573 4.598 7.949 1.00 33.32 C ATOM 1096 CD1 TYR A 66 3.526 5.404 7.509 1.00 74.45 C ATOM 1097 CD2 TYR A 66 4.384 3.860 9.117 1.00 72.31 C ATOM 1098 CE1 TYR A 66 2.334 5.469 8.204 1.00 22.43 C ATOM 1099 CE2 TYR A 66 3.195 3.926 9.818 1.00 11.40 C ATOM 1100 CZ TYR A 66 2.174 4.731 9.358 1.00 43.44 C ATOM 1101 OH TYR A 66 0.994 4.803 10.064 1.00 22.31 O ATOM 0 H TYR A 66 4.058 3.618 5.076 1.00 3.20 H new ATOM 0 HA TYR A 66 6.947 3.600 5.582 1.00 45.10 H new ATOM 0 HB2 TYR A 66 6.684 4.284 7.900 1.00 34.12 H new ATOM 0 HB3 TYR A 66 6.120 5.551 6.828 1.00 34.12 H new ATOM 0 HD1 TYR A 66 3.648 5.988 6.609 1.00 74.45 H new ATOM 0 HD2 TYR A 66 5.180 3.226 9.480 1.00 72.31 H new ATOM 0 HE1 TYR A 66 1.531 6.095 7.845 1.00 22.43 H new ATOM 0 HE2 TYR A 66 3.066 3.350 10.722 1.00 11.40 H new ATOM 0 HH TYR A 66 1.047 4.220 10.850 1.00 22.31 H new ATOM 1111 N GLN A 67 6.773 1.401 6.730 1.00 54.02 N ATOM 1112 CA GLN A 67 6.693 0.030 7.236 1.00 42.12 C ATOM 1113 C GLN A 67 7.361 -0.054 8.618 1.00 52.32 C ATOM 1114 O GLN A 67 8.521 0.323 8.786 1.00 11.20 O ATOM 1115 CB GLN A 67 7.343 -0.948 6.239 1.00 4.43 C ATOM 1116 CG GLN A 67 8.842 -0.738 6.030 1.00 32.42 C ATOM 1117 CD GLN A 67 9.398 -1.541 4.864 1.00 74.21 C ATOM 1118 OE1 GLN A 67 9.488 -1.053 3.742 1.00 54.43 O ATOM 1119 NE2 GLN A 67 9.743 -2.792 5.109 1.00 23.33 N ATOM 0 H GLN A 67 7.726 1.736 6.587 1.00 54.02 H new ATOM 0 HA GLN A 67 5.646 -0.254 7.344 1.00 42.12 H new ATOM 0 HB2 GLN A 67 7.177 -1.967 6.589 1.00 4.43 H new ATOM 0 HB3 GLN A 67 6.839 -0.855 5.277 1.00 4.43 H new ATOM 0 HG2 GLN A 67 9.034 0.321 5.859 1.00 32.42 H new ATOM 0 HG3 GLN A 67 9.373 -1.015 6.941 1.00 32.42 H new ATOM 0 HE21 GLN A 67 9.657 -3.169 6.053 1.00 23.33 H new ATOM 0 HE22 GLN A 67 10.096 -3.381 4.355 1.00 23.33 H new ATOM 1128 N ASP A 68 6.616 -0.526 9.611 1.00 55.32 N ATOM 1129 CA ASP A 68 7.093 -0.533 10.996 1.00 23.31 C ATOM 1130 C ASP A 68 7.883 -1.812 11.325 1.00 54.32 C ATOM 1131 O ASP A 68 7.735 -2.841 10.662 1.00 74.52 O ATOM 1132 CB ASP A 68 5.905 -0.375 11.955 1.00 42.23 C ATOM 1133 CG ASP A 68 6.346 -0.141 13.390 1.00 25.03 C ATOM 1134 OD1 ASP A 68 6.541 -1.126 14.127 1.00 43.21 O ATOM 1135 OD2 ASP A 68 6.518 1.033 13.781 1.00 64.44 O ATOM 0 H ASP A 68 5.679 -0.909 9.487 1.00 55.32 H new ATOM 0 HA ASP A 68 7.775 0.308 11.120 1.00 23.31 H new ATOM 0 HB2 ASP A 68 5.286 0.460 11.627 1.00 42.23 H new ATOM 0 HB3 ASP A 68 5.284 -1.270 11.910 1.00 42.23 H new ATOM 1140 N ASN A 69 8.705 -1.734 12.371 1.00 70.52 N ATOM 1141 CA ASN A 69 9.546 -2.854 12.810 1.00 21.53 C ATOM 1142 C ASN A 69 8.708 -4.102 13.150 1.00 25.42 C ATOM 1143 O ASN A 69 9.182 -5.231 13.035 1.00 60.01 O ATOM 1144 CB ASN A 69 10.358 -2.428 14.038 1.00 51.05 C ATOM 1145 CG ASN A 69 11.045 -1.092 13.830 1.00 34.12 C ATOM 1146 OD1 ASN A 69 10.464 -0.039 14.079 1.00 43.34 O ATOM 1147 ND2 ASN A 69 12.276 -1.115 13.367 1.00 34.34 N ATOM 0 H ASN A 69 8.809 -0.894 12.940 1.00 70.52 H new ATOM 0 HA ASN A 69 10.213 -3.117 11.989 1.00 21.53 H new ATOM 0 HB2 ASN A 69 9.699 -2.366 14.904 1.00 51.05 H new ATOM 0 HB3 ASN A 69 11.106 -3.189 14.260 1.00 51.05 H new ATOM 0 HD21 ASN A 69 12.776 -0.241 13.205 1.00 34.34 H new ATOM 0 HD22 ASN A 69 12.730 -2.007 13.170 1.00 34.34 H new ATOM 1154 N THR A 70 7.455 -3.882 13.559 1.00 63.42 N ATOM 1155 CA THR A 70 6.547 -4.982 13.931 1.00 35.51 C ATOM 1156 C THR A 70 5.985 -5.716 12.697 1.00 52.32 C ATOM 1157 O THR A 70 5.154 -6.619 12.821 1.00 54.24 O ATOM 1158 CB THR A 70 5.364 -4.473 14.795 1.00 24.52 C ATOM 1159 OG1 THR A 70 4.646 -5.583 15.364 1.00 14.20 O ATOM 1160 CG2 THR A 70 4.403 -3.612 13.976 1.00 31.03 C ATOM 0 H THR A 70 7.042 -2.953 13.642 1.00 63.42 H new ATOM 0 HA THR A 70 7.146 -5.683 14.512 1.00 35.51 H new ATOM 0 HB THR A 70 5.782 -3.860 15.593 1.00 24.52 H new ATOM 0 HG1 THR A 70 4.575 -6.301 14.701 1.00 14.20 H new ATOM 0 HG21 THR A 70 3.586 -3.272 14.613 1.00 31.03 H new ATOM 0 HG22 THR A 70 4.937 -2.749 13.579 1.00 31.03 H new ATOM 0 HG23 THR A 70 4.000 -4.200 13.152 1.00 31.03 H new ATOM 1168 N GLY A 71 6.430 -5.310 11.508 1.00 22.43 N ATOM 1169 CA GLY A 71 6.011 -5.972 10.275 1.00 4.34 C ATOM 1170 C GLY A 71 4.714 -5.418 9.687 1.00 23.43 C ATOM 1171 O GLY A 71 4.064 -6.077 8.872 1.00 25.15 O ATOM 0 H GLY A 71 7.076 -4.532 11.374 1.00 22.43 H new ATOM 0 HA2 GLY A 71 6.805 -5.876 9.534 1.00 4.34 H new ATOM 0 HA3 GLY A 71 5.885 -7.037 10.470 1.00 4.34 H new ATOM 1175 N ARG A 72 4.334 -4.207 10.087 1.00 74.11 N ATOM 1176 CA ARG A 72 3.110 -3.577 9.574 1.00 12.25 C ATOM 1177 C ARG A 72 3.422 -2.488 8.538 1.00 12.31 C ATOM 1178 O ARG A 72 4.115 -1.517 8.833 1.00 43.34 O ATOM 1179 CB ARG A 72 2.289 -2.970 10.718 1.00 61.32 C ATOM 1180 CG ARG A 72 0.983 -2.334 10.244 1.00 63.21 C ATOM 1181 CD ARG A 72 0.174 -1.741 11.392 1.00 53.21 C ATOM 1182 NE ARG A 72 -0.239 -2.755 12.360 1.00 23.11 N ATOM 1183 CZ ARG A 72 -1.369 -2.728 13.013 1.00 60.52 C ATOM 1184 NH1 ARG A 72 -2.246 -1.802 12.786 1.00 72.31 N ATOM 1185 NH2 ARG A 72 -1.625 -3.640 13.892 1.00 1.01 N ATOM 0 H ARG A 72 4.850 -3.641 10.761 1.00 74.11 H new ATOM 0 HA ARG A 72 2.530 -4.361 9.087 1.00 12.25 H new ATOM 0 HB2 ARG A 72 2.064 -3.747 11.448 1.00 61.32 H new ATOM 0 HB3 ARG A 72 2.889 -2.217 11.229 1.00 61.32 H new ATOM 0 HG2 ARG A 72 1.206 -1.552 9.518 1.00 63.21 H new ATOM 0 HG3 ARG A 72 0.382 -3.084 9.730 1.00 63.21 H new ATOM 0 HD2 ARG A 72 0.768 -0.980 11.897 1.00 53.21 H new ATOM 0 HD3 ARG A 72 -0.709 -1.242 10.992 1.00 53.21 H new ATOM 0 HE ARG A 72 0.396 -3.533 12.537 1.00 23.11 H new ATOM 0 HH11 ARG A 72 -2.058 -1.081 12.089 1.00 72.31 H new ATOM 0 HH12 ARG A 72 -3.125 -1.794 13.304 1.00 72.31 H new ATOM 0 HH21 ARG A 72 -0.945 -4.378 14.074 1.00 1.01 H new ATOM 0 HH22 ARG A 72 -2.507 -3.622 14.404 1.00 1.01 H new ATOM 1199 N VAL A 73 2.898 -2.657 7.329 1.00 22.42 N ATOM 1200 CA VAL A 73 3.031 -1.652 6.270 1.00 34.22 C ATOM 1201 C VAL A 73 1.789 -0.744 6.236 1.00 22.54 C ATOM 1202 O VAL A 73 0.663 -1.226 6.359 1.00 44.43 O ATOM 1203 CB VAL A 73 3.212 -2.325 4.885 1.00 24.43 C ATOM 1204 CG1 VAL A 73 3.441 -1.280 3.793 1.00 4.35 C ATOM 1205 CG2 VAL A 73 4.360 -3.335 4.923 1.00 1.15 C ATOM 0 H VAL A 73 2.372 -3.486 7.052 1.00 22.42 H new ATOM 0 HA VAL A 73 3.915 -1.053 6.488 1.00 34.22 H new ATOM 0 HB VAL A 73 2.293 -2.861 4.646 1.00 24.43 H new ATOM 0 HG11 VAL A 73 3.565 -1.779 2.832 1.00 4.35 H new ATOM 0 HG12 VAL A 73 2.583 -0.609 3.746 1.00 4.35 H new ATOM 0 HG13 VAL A 73 4.339 -0.705 4.022 1.00 4.35 H new ATOM 0 HG21 VAL A 73 4.471 -3.797 3.942 1.00 1.15 H new ATOM 0 HG22 VAL A 73 5.285 -2.824 5.191 1.00 1.15 H new ATOM 0 HG23 VAL A 73 4.143 -4.105 5.664 1.00 1.15 H new ATOM 1215 N THR A 74 1.992 0.564 6.090 1.00 1.00 N ATOM 1216 CA THR A 74 0.871 1.520 6.048 1.00 24.03 C ATOM 1217 C THR A 74 1.058 2.587 4.960 1.00 23.42 C ATOM 1218 O THR A 74 2.087 3.264 4.907 1.00 53.13 O ATOM 1219 CB THR A 74 0.675 2.236 7.410 1.00 1.22 C ATOM 1220 OG1 THR A 74 0.437 1.270 8.448 1.00 54.42 O ATOM 1221 CG2 THR A 74 -0.499 3.211 7.356 1.00 42.44 C ATOM 0 H THR A 74 2.914 0.991 5.999 1.00 1.00 H new ATOM 0 HA THR A 74 -0.013 0.926 5.817 1.00 24.03 H new ATOM 0 HB THR A 74 1.586 2.794 7.626 1.00 1.22 H new ATOM 0 HG1 THR A 74 0.316 1.732 9.304 1.00 54.42 H new ATOM 0 HG21 THR A 74 -0.612 3.698 8.325 1.00 42.44 H new ATOM 0 HG22 THR A 74 -0.311 3.964 6.591 1.00 42.44 H new ATOM 0 HG23 THR A 74 -1.412 2.668 7.114 1.00 42.44 H new ATOM 1229 N LEU A 75 0.058 2.723 4.093 1.00 12.44 N ATOM 1230 CA LEU A 75 0.043 3.774 3.070 1.00 11.22 C ATOM 1231 C LEU A 75 -0.978 4.867 3.427 1.00 14.11 C ATOM 1232 O LEU A 75 -2.153 4.577 3.662 1.00 14.30 O ATOM 1233 CB LEU A 75 -0.296 3.171 1.697 1.00 52.40 C ATOM 1234 CG LEU A 75 -0.347 4.173 0.530 1.00 23.20 C ATOM 1235 CD1 LEU A 75 1.017 4.821 0.310 1.00 71.32 C ATOM 1236 CD2 LEU A 75 -0.840 3.491 -0.748 1.00 33.41 C ATOM 0 H LEU A 75 -0.761 2.115 4.076 1.00 12.44 H new ATOM 0 HA LEU A 75 1.034 4.225 3.029 1.00 11.22 H new ATOM 0 HB2 LEU A 75 0.443 2.405 1.463 1.00 52.40 H new ATOM 0 HB3 LEU A 75 -1.262 2.671 1.767 1.00 52.40 H new ATOM 0 HG LEU A 75 -1.055 4.960 0.789 1.00 23.20 H new ATOM 0 HD11 LEU A 75 0.956 5.525 -0.520 1.00 71.32 H new ATOM 0 HD12 LEU A 75 1.318 5.351 1.214 1.00 71.32 H new ATOM 0 HD13 LEU A 75 1.753 4.051 0.079 1.00 71.32 H new ATOM 0 HD21 LEU A 75 -0.868 4.217 -1.560 1.00 33.41 H new ATOM 0 HD22 LEU A 75 -0.163 2.678 -1.011 1.00 33.41 H new ATOM 0 HD23 LEU A 75 -1.840 3.091 -0.584 1.00 33.41 H new ATOM 1248 N LEU A 76 -0.520 6.117 3.472 1.00 42.44 N ATOM 1249 CA LEU A 76 -1.392 7.261 3.777 1.00 65.22 C ATOM 1250 C LEU A 76 -1.601 8.141 2.533 1.00 40.30 C ATOM 1251 O LEU A 76 -0.635 8.604 1.921 1.00 61.35 O ATOM 1252 CB LEU A 76 -0.789 8.101 4.912 1.00 60.31 C ATOM 1253 CG LEU A 76 -0.570 7.359 6.243 1.00 20.14 C ATOM 1254 CD1 LEU A 76 0.073 8.287 7.273 1.00 3.45 C ATOM 1255 CD2 LEU A 76 -1.889 6.793 6.772 1.00 34.21 C ATOM 0 H LEU A 76 0.454 6.369 3.301 1.00 42.44 H new ATOM 0 HA LEU A 76 -2.360 6.872 4.093 1.00 65.22 H new ATOM 0 HB2 LEU A 76 0.169 8.499 4.576 1.00 60.31 H new ATOM 0 HB3 LEU A 76 -1.442 8.954 5.095 1.00 60.31 H new ATOM 0 HG LEU A 76 0.107 6.524 6.063 1.00 20.14 H new ATOM 0 HD11 LEU A 76 0.221 7.746 8.208 1.00 3.45 H new ATOM 0 HD12 LEU A 76 1.036 8.634 6.899 1.00 3.45 H new ATOM 0 HD13 LEU A 76 -0.578 9.143 7.448 1.00 3.45 H new ATOM 0 HD21 LEU A 76 -1.710 6.273 7.713 1.00 34.21 H new ATOM 0 HD22 LEU A 76 -2.595 7.607 6.936 1.00 34.21 H new ATOM 0 HD23 LEU A 76 -2.303 6.095 6.045 1.00 34.21 H new ATOM 1267 N ILE A 77 -2.864 8.363 2.169 1.00 13.41 N ATOM 1268 CA ILE A 77 -3.208 9.172 0.990 1.00 41.34 C ATOM 1269 C ILE A 77 -4.052 10.400 1.378 1.00 15.45 C ATOM 1270 O ILE A 77 -5.124 10.265 1.963 1.00 64.44 O ATOM 1271 CB ILE A 77 -3.983 8.318 -0.045 1.00 64.02 C ATOM 1272 CG1 ILE A 77 -3.133 7.107 -0.472 1.00 24.20 C ATOM 1273 CG2 ILE A 77 -4.384 9.161 -1.259 1.00 44.40 C ATOM 1274 CD1 ILE A 77 -3.862 6.130 -1.366 1.00 22.41 C ATOM 0 H ILE A 77 -3.671 7.995 2.673 1.00 13.41 H new ATOM 0 HA ILE A 77 -2.275 9.520 0.548 1.00 41.34 H new ATOM 0 HB ILE A 77 -4.898 7.953 0.421 1.00 64.02 H new ATOM 0 HG12 ILE A 77 -2.244 7.465 -0.991 1.00 24.20 H new ATOM 0 HG13 ILE A 77 -2.792 6.582 0.421 1.00 24.20 H new ATOM 0 HG21 ILE A 77 -4.927 8.539 -1.971 1.00 44.40 H new ATOM 0 HG22 ILE A 77 -5.022 9.984 -0.936 1.00 44.40 H new ATOM 0 HG23 ILE A 77 -3.489 9.561 -1.735 1.00 44.40 H new ATOM 0 HD11 ILE A 77 -3.197 5.306 -1.623 1.00 22.41 H new ATOM 0 HD12 ILE A 77 -4.736 5.741 -0.844 1.00 22.41 H new ATOM 0 HD13 ILE A 77 -4.179 6.637 -2.277 1.00 22.41 H new ATOM 1286 N LYS A 78 -3.559 11.595 1.043 1.00 21.43 N ATOM 1287 CA LYS A 78 -4.227 12.857 1.401 1.00 72.25 C ATOM 1288 C LYS A 78 -4.760 13.587 0.156 1.00 55.11 C ATOM 1289 O LYS A 78 -4.254 13.385 -0.948 1.00 34.54 O ATOM 1290 CB LYS A 78 -3.238 13.797 2.104 1.00 13.15 C ATOM 1291 CG LYS A 78 -2.445 13.166 3.243 1.00 52.03 C ATOM 1292 CD LYS A 78 -1.417 14.153 3.788 1.00 40.31 C ATOM 1293 CE LYS A 78 -0.413 13.495 4.724 1.00 33.54 C ATOM 1294 NZ LYS A 78 0.632 14.460 5.160 1.00 23.15 N ATOM 0 H LYS A 78 -2.692 11.719 0.520 1.00 21.43 H new ATOM 0 HA LYS A 78 -5.058 12.603 2.058 1.00 72.25 H new ATOM 0 HB2 LYS A 78 -2.537 14.182 1.363 1.00 13.15 H new ATOM 0 HB3 LYS A 78 -3.789 14.652 2.496 1.00 13.15 H new ATOM 0 HG2 LYS A 78 -3.123 12.860 4.040 1.00 52.03 H new ATOM 0 HG3 LYS A 78 -1.942 12.266 2.889 1.00 52.03 H new ATOM 0 HD2 LYS A 78 -0.885 14.614 2.956 1.00 40.31 H new ATOM 0 HD3 LYS A 78 -1.933 14.953 4.319 1.00 40.31 H new ATOM 0 HE2 LYS A 78 -0.932 13.099 5.597 1.00 33.54 H new ATOM 0 HE3 LYS A 78 0.057 12.650 4.221 1.00 33.54 H new ATOM 0 HZ1 LYS A 78 1.374 13.954 5.684 1.00 23.15 H new ATOM 0 HZ2 LYS A 78 1.049 14.920 4.326 1.00 23.15 H new ATOM 0 HZ3 LYS A 78 0.204 15.181 5.775 1.00 23.15 H new ATOM 1308 N ASP A 79 -5.772 14.442 0.356 1.00 13.30 N ATOM 1309 CA ASP A 79 -6.217 15.403 -0.673 1.00 2.04 C ATOM 1310 C ASP A 79 -6.567 14.697 -2.005 1.00 70.45 C ATOM 1311 O ASP A 79 -6.422 15.262 -3.094 1.00 15.20 O ATOM 1312 CB ASP A 79 -5.107 16.452 -0.872 1.00 3.32 C ATOM 1313 CG ASP A 79 -5.602 17.751 -1.489 1.00 74.43 C ATOM 1314 OD1 ASP A 79 -6.284 18.524 -0.786 1.00 25.32 O ATOM 1315 OD2 ASP A 79 -5.282 18.024 -2.660 1.00 51.22 O ATOM 0 H ASP A 79 -6.303 14.491 1.225 1.00 13.30 H new ATOM 0 HA ASP A 79 -7.131 15.892 -0.336 1.00 2.04 H new ATOM 0 HB2 ASP A 79 -4.647 16.669 0.092 1.00 3.32 H new ATOM 0 HB3 ASP A 79 -4.329 16.030 -1.509 1.00 3.32 H new ATOM 1320 N VAL A 80 -7.061 13.466 -1.899 1.00 54.45 N ATOM 1321 CA VAL A 80 -7.347 12.632 -3.072 1.00 32.02 C ATOM 1322 C VAL A 80 -8.725 12.960 -3.690 1.00 32.42 C ATOM 1323 O VAL A 80 -9.701 13.189 -2.973 1.00 42.53 O ATOM 1324 CB VAL A 80 -7.285 11.129 -2.680 1.00 45.32 C ATOM 1325 CG1 VAL A 80 -8.473 10.729 -1.815 1.00 74.53 C ATOM 1326 CG2 VAL A 80 -7.196 10.230 -3.908 1.00 14.13 C ATOM 0 H VAL A 80 -7.274 13.018 -1.008 1.00 54.45 H new ATOM 0 HA VAL A 80 -6.588 12.847 -3.825 1.00 32.02 H new ATOM 0 HB VAL A 80 -6.375 10.992 -2.095 1.00 45.32 H new ATOM 0 HG11 VAL A 80 -8.398 9.672 -1.559 1.00 74.53 H new ATOM 0 HG12 VAL A 80 -8.475 11.324 -0.902 1.00 74.53 H new ATOM 0 HG13 VAL A 80 -9.398 10.904 -2.364 1.00 74.53 H new ATOM 0 HG21 VAL A 80 -7.154 9.187 -3.593 1.00 14.13 H new ATOM 0 HG22 VAL A 80 -8.073 10.385 -4.537 1.00 14.13 H new ATOM 0 HG23 VAL A 80 -6.297 10.474 -4.473 1.00 14.13 H new ATOM 1336 N ASN A 81 -8.794 13.006 -5.024 1.00 3.14 N ATOM 1337 CA ASN A 81 -10.068 13.223 -5.732 1.00 45.32 C ATOM 1338 C ASN A 81 -10.364 12.080 -6.726 1.00 41.42 C ATOM 1339 O ASN A 81 -9.590 11.128 -6.824 1.00 33.21 O ATOM 1340 CB ASN A 81 -10.071 14.589 -6.438 1.00 73.33 C ATOM 1341 CG ASN A 81 -8.855 14.814 -7.318 1.00 1.22 C ATOM 1342 OD1 ASN A 81 -8.971 14.496 -8.591 1.00 32.00 O flip ATOM 1343 ND2 ASN A 81 -7.827 15.302 -6.864 1.00 55.40 N flip ATOM 0 H ASN A 81 -7.987 12.897 -5.638 1.00 3.14 H new ATOM 0 HA ASN A 81 -10.867 13.222 -4.990 1.00 45.32 H new ATOM 0 HB2 ASN A 81 -10.971 14.674 -7.046 1.00 73.33 H new ATOM 0 HB3 ASN A 81 -10.118 15.378 -5.687 1.00 73.33 H new ATOM 0 HD21 ASN A 81 -7.768 15.537 -5.873 1.00 55.40 H new ATOM 0 HD22 ASN A 81 -7.030 15.473 -7.477 1.00 55.40 H new ATOM 1350 N LYS A 82 -11.494 12.169 -7.446 1.00 3.54 N ATOM 1351 CA LYS A 82 -11.925 11.100 -8.375 1.00 73.04 C ATOM 1352 C LYS A 82 -10.784 10.620 -9.292 1.00 72.03 C ATOM 1353 O LYS A 82 -10.551 9.420 -9.436 1.00 20.02 O ATOM 1354 CB LYS A 82 -13.100 11.577 -9.248 1.00 73.40 C ATOM 1355 CG LYS A 82 -14.426 11.750 -8.510 1.00 71.30 C ATOM 1356 CD LYS A 82 -14.976 10.420 -7.998 1.00 32.20 C ATOM 1357 CE LYS A 82 -16.475 10.491 -7.723 1.00 71.33 C ATOM 1358 NZ LYS A 82 -17.263 10.715 -8.967 1.00 62.22 N ATOM 0 H LYS A 82 -12.128 12.967 -7.406 1.00 3.54 H new ATOM 0 HA LYS A 82 -12.238 10.262 -7.753 1.00 73.04 H new ATOM 0 HB2 LYS A 82 -12.830 12.529 -9.706 1.00 73.40 H new ATOM 0 HB3 LYS A 82 -13.244 10.863 -10.059 1.00 73.40 H new ATOM 0 HG2 LYS A 82 -14.287 12.432 -7.671 1.00 71.30 H new ATOM 0 HG3 LYS A 82 -15.155 12.210 -9.177 1.00 71.30 H new ATOM 0 HD2 LYS A 82 -14.778 9.639 -8.732 1.00 32.20 H new ATOM 0 HD3 LYS A 82 -14.452 10.138 -7.084 1.00 32.20 H new ATOM 0 HE2 LYS A 82 -16.801 9.564 -7.250 1.00 71.33 H new ATOM 0 HE3 LYS A 82 -16.676 11.297 -7.017 1.00 71.33 H new ATOM 0 HZ1 LYS A 82 -18.237 10.379 -8.826 1.00 62.22 H new ATOM 0 HZ2 LYS A 82 -17.276 11.730 -9.191 1.00 62.22 H new ATOM 0 HZ3 LYS A 82 -16.827 10.192 -9.753 1.00 62.22 H new ATOM 1372 N LYS A 83 -10.077 11.570 -9.901 1.00 1.20 N ATOM 1373 CA LYS A 83 -8.987 11.262 -10.839 1.00 33.50 C ATOM 1374 C LYS A 83 -7.874 10.407 -10.206 1.00 12.01 C ATOM 1375 O LYS A 83 -7.109 9.749 -10.916 1.00 34.24 O ATOM 1376 CB LYS A 83 -8.391 12.567 -11.389 1.00 10.33 C ATOM 1377 CG LYS A 83 -9.393 13.427 -12.153 1.00 42.41 C ATOM 1378 CD LYS A 83 -10.016 12.655 -13.309 1.00 52.32 C ATOM 1379 CE LYS A 83 -11.002 13.500 -14.104 1.00 43.01 C ATOM 1380 NZ LYS A 83 -11.605 12.729 -15.225 1.00 12.44 N ATOM 0 H LYS A 83 -10.237 12.568 -9.763 1.00 1.20 H new ATOM 0 HA LYS A 83 -9.420 10.673 -11.648 1.00 33.50 H new ATOM 0 HB2 LYS A 83 -7.985 13.148 -10.561 1.00 10.33 H new ATOM 0 HB3 LYS A 83 -7.557 12.325 -12.048 1.00 10.33 H new ATOM 0 HG2 LYS A 83 -10.176 13.766 -11.475 1.00 42.41 H new ATOM 0 HG3 LYS A 83 -8.894 14.318 -12.535 1.00 42.41 H new ATOM 0 HD2 LYS A 83 -9.228 12.300 -13.973 1.00 52.32 H new ATOM 0 HD3 LYS A 83 -10.527 11.774 -12.921 1.00 52.32 H new ATOM 0 HE2 LYS A 83 -11.791 13.859 -13.443 1.00 43.01 H new ATOM 0 HE3 LYS A 83 -10.493 14.379 -14.499 1.00 43.01 H new ATOM 0 HZ1 LYS A 83 -12.271 13.335 -15.745 1.00 12.44 H new ATOM 0 HZ2 LYS A 83 -10.854 12.408 -15.869 1.00 12.44 H new ATOM 0 HZ3 LYS A 83 -12.112 11.904 -14.846 1.00 12.44 H new ATOM 1394 N ASP A 84 -7.785 10.418 -8.878 1.00 64.21 N ATOM 1395 CA ASP A 84 -6.732 9.692 -8.164 1.00 13.03 C ATOM 1396 C ASP A 84 -7.210 8.332 -7.615 1.00 43.53 C ATOM 1397 O ASP A 84 -6.437 7.610 -6.986 1.00 62.31 O ATOM 1398 CB ASP A 84 -6.186 10.553 -7.028 1.00 5.41 C ATOM 1399 CG ASP A 84 -5.676 11.896 -7.520 1.00 5.25 C ATOM 1400 OD1 ASP A 84 -4.684 11.923 -8.281 1.00 12.11 O ATOM 1401 OD2 ASP A 84 -6.274 12.931 -7.160 1.00 72.23 O ATOM 0 H ASP A 84 -8.431 10.923 -8.271 1.00 64.21 H new ATOM 0 HA ASP A 84 -5.942 9.482 -8.885 1.00 13.03 H new ATOM 0 HB2 ASP A 84 -6.969 10.713 -6.287 1.00 5.41 H new ATOM 0 HB3 ASP A 84 -5.377 10.021 -6.527 1.00 5.41 H new ATOM 1406 N ALA A 85 -8.473 7.977 -7.847 1.00 74.53 N ATOM 1407 CA ALA A 85 -8.998 6.692 -7.358 1.00 42.44 C ATOM 1408 C ALA A 85 -8.611 5.542 -8.298 1.00 21.00 C ATOM 1409 O ALA A 85 -8.564 5.710 -9.517 1.00 70.14 O ATOM 1410 CB ALA A 85 -10.515 6.762 -7.218 1.00 44.31 C ATOM 0 H ALA A 85 -9.146 8.546 -8.361 1.00 74.53 H new ATOM 0 HA ALA A 85 -8.556 6.497 -6.381 1.00 42.44 H new ATOM 0 HB1 ALA A 85 -10.891 5.805 -6.856 1.00 44.31 H new ATOM 0 HB2 ALA A 85 -10.779 7.548 -6.510 1.00 44.31 H new ATOM 0 HB3 ALA A 85 -10.960 6.983 -8.188 1.00 44.31 H new ATOM 1416 N GLY A 86 -8.332 4.368 -7.730 1.00 62.41 N ATOM 1417 CA GLY A 86 -7.943 3.221 -8.543 1.00 0.31 C ATOM 1418 C GLY A 86 -7.622 1.970 -7.729 1.00 13.24 C ATOM 1419 O GLY A 86 -7.822 1.934 -6.513 1.00 11.44 O ATOM 0 H GLY A 86 -8.368 4.190 -6.726 1.00 62.41 H new ATOM 0 HA2 GLY A 86 -8.748 2.992 -9.241 1.00 0.31 H new ATOM 0 HA3 GLY A 86 -7.071 3.489 -9.139 1.00 0.31 H new ATOM 1423 N TRP A 87 -7.118 0.939 -8.406 1.00 23.03 N ATOM 1424 CA TRP A 87 -6.605 -0.258 -7.732 1.00 72.00 C ATOM 1425 C TRP A 87 -5.100 -0.123 -7.436 1.00 41.23 C ATOM 1426 O TRP A 87 -4.302 0.152 -8.336 1.00 5.31 O ATOM 1427 CB TRP A 87 -6.861 -1.515 -8.582 1.00 41.30 C ATOM 1428 CG TRP A 87 -8.266 -2.037 -8.478 1.00 0.15 C ATOM 1429 CD1 TRP A 87 -9.389 -1.505 -9.043 1.00 70.20 C ATOM 1430 CD2 TRP A 87 -8.691 -3.200 -7.761 1.00 54.45 C ATOM 1431 NE1 TRP A 87 -10.485 -2.265 -8.714 1.00 23.22 N ATOM 1432 CE2 TRP A 87 -10.083 -3.312 -7.929 1.00 4.13 C ATOM 1433 CE3 TRP A 87 -8.027 -4.159 -6.990 1.00 1.31 C ATOM 1434 CZ2 TRP A 87 -10.821 -4.343 -7.353 1.00 5.55 C ATOM 1435 CZ3 TRP A 87 -8.758 -5.181 -6.422 1.00 71.35 C ATOM 1436 CH2 TRP A 87 -10.144 -5.268 -6.605 1.00 65.12 C ATOM 0 H TRP A 87 -7.053 0.907 -9.423 1.00 23.03 H new ATOM 0 HA TRP A 87 -7.137 -0.359 -6.786 1.00 72.00 H new ATOM 0 HB2 TRP A 87 -6.643 -1.288 -9.626 1.00 41.30 H new ATOM 0 HB3 TRP A 87 -6.168 -2.298 -8.275 1.00 41.30 H new ATOM 0 HD1 TRP A 87 -9.412 -0.617 -9.658 1.00 70.20 H new ATOM 0 HE1 TRP A 87 -11.444 -2.079 -9.007 1.00 23.22 H new ATOM 0 HE3 TRP A 87 -6.959 -4.100 -6.842 1.00 1.31 H new ATOM 0 HZ2 TRP A 87 -11.890 -4.410 -7.492 1.00 5.55 H new ATOM 0 HZ3 TRP A 87 -8.253 -5.927 -5.826 1.00 71.35 H new ATOM 0 HH2 TRP A 87 -10.689 -6.080 -6.147 1.00 65.12 H new ATOM 1447 N TYR A 88 -4.731 -0.296 -6.168 1.00 1.23 N ATOM 1448 CA TYR A 88 -3.330 -0.268 -5.737 1.00 63.44 C ATOM 1449 C TYR A 88 -2.765 -1.689 -5.612 1.00 3.44 C ATOM 1450 O TYR A 88 -3.213 -2.475 -4.779 1.00 42.21 O ATOM 1451 CB TYR A 88 -3.205 0.450 -4.385 1.00 70.51 C ATOM 1452 CG TYR A 88 -3.509 1.934 -4.440 1.00 71.41 C ATOM 1453 CD1 TYR A 88 -4.811 2.392 -4.601 1.00 64.15 C ATOM 1454 CD2 TYR A 88 -2.492 2.873 -4.322 1.00 43.33 C ATOM 1455 CE1 TYR A 88 -5.088 3.743 -4.647 1.00 25.13 C ATOM 1456 CE2 TYR A 88 -2.762 4.226 -4.366 1.00 62.11 C ATOM 1457 CZ TYR A 88 -4.062 4.657 -4.528 1.00 65.34 C ATOM 1458 OH TYR A 88 -4.335 6.004 -4.572 1.00 54.33 O ATOM 0 H TYR A 88 -5.393 -0.460 -5.409 1.00 1.23 H new ATOM 0 HA TYR A 88 -2.758 0.272 -6.492 1.00 63.44 H new ATOM 0 HB2 TYR A 88 -3.881 -0.022 -3.672 1.00 70.51 H new ATOM 0 HB3 TYR A 88 -2.193 0.312 -4.005 1.00 70.51 H new ATOM 0 HD1 TYR A 88 -5.618 1.680 -4.691 1.00 64.15 H new ATOM 0 HD2 TYR A 88 -1.473 2.539 -4.194 1.00 43.33 H new ATOM 0 HE1 TYR A 88 -6.105 4.084 -4.776 1.00 25.13 H new ATOM 0 HE2 TYR A 88 -1.960 4.943 -4.274 1.00 62.11 H new ATOM 0 HH TYR A 88 -3.502 6.510 -4.472 1.00 54.33 H new ATOM 1468 N THR A 89 -1.777 -2.013 -6.433 1.00 22.14 N ATOM 1469 CA THR A 89 -1.132 -3.329 -6.384 1.00 31.20 C ATOM 1470 C THR A 89 0.168 -3.263 -5.578 1.00 32.33 C ATOM 1471 O THR A 89 1.110 -2.567 -5.961 1.00 4.10 O ATOM 1472 CB THR A 89 -0.819 -3.866 -7.804 1.00 33.35 C ATOM 1473 OG1 THR A 89 -2.027 -3.947 -8.580 1.00 62.44 O ATOM 1474 CG2 THR A 89 -0.161 -5.245 -7.746 1.00 10.21 C ATOM 0 H THR A 89 -1.400 -1.386 -7.144 1.00 22.14 H new ATOM 0 HA THR A 89 -1.832 -4.010 -5.899 1.00 31.20 H new ATOM 0 HB THR A 89 -0.124 -3.171 -8.275 1.00 33.35 H new ATOM 0 HG1 THR A 89 -2.443 -4.824 -8.447 1.00 62.44 H new ATOM 0 HG21 THR A 89 0.045 -5.593 -8.758 1.00 10.21 H new ATOM 0 HG22 THR A 89 0.773 -5.179 -7.188 1.00 10.21 H new ATOM 0 HG23 THR A 89 -0.831 -5.947 -7.251 1.00 10.21 H new ATOM 1482 N VAL A 90 0.210 -3.982 -4.456 1.00 40.10 N ATOM 1483 CA VAL A 90 1.385 -3.990 -3.580 1.00 43.41 C ATOM 1484 C VAL A 90 2.254 -5.240 -3.812 1.00 5.20 C ATOM 1485 O VAL A 90 1.787 -6.378 -3.713 1.00 3.54 O ATOM 1486 CB VAL A 90 0.985 -3.892 -2.080 1.00 61.32 C ATOM 1487 CG1 VAL A 90 0.011 -5.002 -1.690 1.00 41.03 C ATOM 1488 CG2 VAL A 90 2.228 -3.913 -1.185 1.00 52.50 C ATOM 0 H VAL A 90 -0.558 -4.569 -4.130 1.00 40.10 H new ATOM 0 HA VAL A 90 1.972 -3.108 -3.836 1.00 43.41 H new ATOM 0 HB VAL A 90 0.475 -2.940 -1.932 1.00 61.32 H new ATOM 0 HG11 VAL A 90 -0.248 -4.905 -0.636 1.00 41.03 H new ATOM 0 HG12 VAL A 90 -0.892 -4.922 -2.295 1.00 41.03 H new ATOM 0 HG13 VAL A 90 0.478 -5.972 -1.861 1.00 41.03 H new ATOM 0 HG21 VAL A 90 1.925 -3.843 -0.140 1.00 52.50 H new ATOM 0 HG22 VAL A 90 2.775 -4.843 -1.343 1.00 52.50 H new ATOM 0 HG23 VAL A 90 2.870 -3.068 -1.434 1.00 52.50 H new ATOM 1498 N SER A 91 3.522 -5.010 -4.133 1.00 44.25 N ATOM 1499 CA SER A 91 4.484 -6.093 -4.370 1.00 60.14 C ATOM 1500 C SER A 91 5.606 -6.064 -3.327 1.00 62.04 C ATOM 1501 O SER A 91 6.281 -5.048 -3.162 1.00 41.24 O ATOM 1502 CB SER A 91 5.089 -5.973 -5.777 1.00 65.13 C ATOM 1503 OG SER A 91 4.086 -6.025 -6.781 1.00 65.34 O ATOM 0 H SER A 91 3.916 -4.075 -4.237 1.00 44.25 H new ATOM 0 HA SER A 91 3.950 -7.040 -4.286 1.00 60.14 H new ATOM 0 HB2 SER A 91 5.639 -5.036 -5.859 1.00 65.13 H new ATOM 0 HB3 SER A 91 5.806 -6.778 -5.936 1.00 65.13 H new ATOM 0 HG SER A 91 4.503 -5.944 -7.664 1.00 65.34 H new ATOM 1509 N ALA A 92 5.796 -7.174 -2.617 1.00 1.52 N ATOM 1510 CA ALA A 92 6.877 -7.294 -1.634 1.00 4.35 C ATOM 1511 C ALA A 92 7.908 -8.342 -2.079 1.00 2.32 C ATOM 1512 O ALA A 92 7.599 -9.533 -2.168 1.00 32.41 O ATOM 1513 CB ALA A 92 6.305 -7.654 -0.265 1.00 72.15 C ATOM 0 H ALA A 92 5.214 -8.008 -2.703 1.00 1.52 H new ATOM 0 HA ALA A 92 7.384 -6.332 -1.561 1.00 4.35 H new ATOM 0 HB1 ALA A 92 7.117 -7.741 0.457 1.00 72.15 H new ATOM 0 HB2 ALA A 92 5.614 -6.875 0.057 1.00 72.15 H new ATOM 0 HB3 ALA A 92 5.775 -8.604 -0.331 1.00 72.15 H new ATOM 1519 N VAL A 93 9.136 -7.900 -2.357 1.00 42.55 N ATOM 1520 CA VAL A 93 10.186 -8.805 -2.854 1.00 13.11 C ATOM 1521 C VAL A 93 11.402 -8.874 -1.908 1.00 22.32 C ATOM 1522 O VAL A 93 12.064 -7.871 -1.635 1.00 54.03 O ATOM 1523 CB VAL A 93 10.647 -8.397 -4.282 1.00 54.54 C ATOM 1524 CG1 VAL A 93 11.115 -6.942 -4.322 1.00 15.42 C ATOM 1525 CG2 VAL A 93 11.742 -9.340 -4.795 1.00 40.21 C ATOM 0 H VAL A 93 9.431 -6.930 -2.249 1.00 42.55 H new ATOM 0 HA VAL A 93 9.742 -9.800 -2.893 1.00 13.11 H new ATOM 0 HB VAL A 93 9.786 -8.485 -4.945 1.00 54.54 H new ATOM 0 HG11 VAL A 93 11.430 -6.689 -5.334 1.00 15.42 H new ATOM 0 HG12 VAL A 93 10.296 -6.288 -4.023 1.00 15.42 H new ATOM 0 HG13 VAL A 93 11.953 -6.810 -3.637 1.00 15.42 H new ATOM 0 HG21 VAL A 93 12.047 -9.033 -5.795 1.00 40.21 H new ATOM 0 HG22 VAL A 93 12.601 -9.299 -4.125 1.00 40.21 H new ATOM 0 HG23 VAL A 93 11.357 -10.359 -4.830 1.00 40.21 H new ATOM 1535 N ASN A 94 11.659 -10.069 -1.382 1.00 15.24 N ATOM 1536 CA ASN A 94 12.850 -10.340 -0.568 1.00 54.22 C ATOM 1537 C ASN A 94 13.797 -11.293 -1.322 1.00 12.32 C ATOM 1538 O ASN A 94 13.393 -11.936 -2.289 1.00 22.33 O ATOM 1539 CB ASN A 94 12.429 -10.950 0.781 1.00 13.15 C ATOM 1540 CG ASN A 94 13.602 -11.214 1.708 1.00 62.42 C ATOM 1541 OD1 ASN A 94 14.621 -10.539 1.649 1.00 44.14 O ATOM 1542 ND2 ASN A 94 13.473 -12.204 2.570 1.00 63.12 N ATOM 0 H ASN A 94 11.051 -10.878 -1.505 1.00 15.24 H new ATOM 0 HA ASN A 94 13.379 -9.406 -0.379 1.00 54.22 H new ATOM 0 HB2 ASN A 94 11.728 -10.277 1.274 1.00 13.15 H new ATOM 0 HB3 ASN A 94 11.899 -11.885 0.600 1.00 13.15 H new ATOM 0 HD21 ASN A 94 14.235 -12.425 3.211 1.00 63.12 H new ATOM 0 HD22 ASN A 94 12.611 -12.749 2.595 1.00 63.12 H new ATOM 1549 N GLU A 95 15.048 -11.393 -0.882 1.00 13.34 N ATOM 1550 CA GLU A 95 16.008 -12.321 -1.498 1.00 41.14 C ATOM 1551 C GLU A 95 15.540 -13.782 -1.380 1.00 1.22 C ATOM 1552 O GLU A 95 15.738 -14.587 -2.290 1.00 52.41 O ATOM 1553 CB GLU A 95 17.392 -12.161 -0.848 1.00 44.40 C ATOM 1554 CG GLU A 95 17.383 -12.321 0.672 1.00 63.33 C ATOM 1555 CD GLU A 95 18.777 -12.295 1.281 1.00 43.44 C ATOM 1556 OE1 GLU A 95 19.506 -11.303 1.071 1.00 3.41 O ATOM 1557 OE2 GLU A 95 19.156 -13.275 1.957 1.00 53.31 O ATOM 0 H GLU A 95 15.425 -10.849 -0.106 1.00 13.34 H new ATOM 0 HA GLU A 95 16.074 -12.074 -2.558 1.00 41.14 H new ATOM 0 HB2 GLU A 95 18.072 -12.897 -1.277 1.00 44.40 H new ATOM 0 HB3 GLU A 95 17.789 -11.177 -1.098 1.00 44.40 H new ATOM 0 HG2 GLU A 95 16.785 -11.523 1.112 1.00 63.33 H new ATOM 0 HG3 GLU A 95 16.897 -13.262 0.930 1.00 63.33 H new ATOM 1564 N ALA A 96 14.936 -14.121 -0.243 1.00 73.21 N ATOM 1565 CA ALA A 96 14.426 -15.477 0.002 1.00 74.21 C ATOM 1566 C ALA A 96 13.139 -15.800 -0.794 1.00 1.51 C ATOM 1567 O ALA A 96 12.725 -16.961 -0.860 1.00 13.42 O ATOM 1568 CB ALA A 96 14.200 -15.681 1.495 1.00 2.41 C ATOM 0 H ALA A 96 14.785 -13.474 0.531 1.00 73.21 H new ATOM 0 HA ALA A 96 15.185 -16.173 -0.356 1.00 74.21 H new ATOM 0 HB1 ALA A 96 13.822 -16.688 1.671 1.00 2.41 H new ATOM 0 HB2 ALA A 96 15.142 -15.549 2.027 1.00 2.41 H new ATOM 0 HB3 ALA A 96 13.474 -14.952 1.856 1.00 2.41 H new ATOM 1574 N GLY A 97 12.498 -14.779 -1.377 1.00 70.01 N ATOM 1575 CA GLY A 97 11.259 -15.003 -2.134 1.00 44.35 C ATOM 1576 C GLY A 97 10.434 -13.731 -2.360 1.00 21.50 C ATOM 1577 O GLY A 97 10.803 -12.654 -1.892 1.00 22.13 O ATOM 0 H GLY A 97 12.808 -13.808 -1.341 1.00 70.01 H new ATOM 0 HA2 GLY A 97 11.509 -15.439 -3.101 1.00 44.35 H new ATOM 0 HA3 GLY A 97 10.647 -15.732 -1.604 1.00 44.35 H new ATOM 1581 N VAL A 98 9.298 -13.855 -3.059 1.00 14.44 N ATOM 1582 CA VAL A 98 8.464 -12.688 -3.409 1.00 23.10 C ATOM 1583 C VAL A 98 6.951 -12.986 -3.271 1.00 61.32 C ATOM 1584 O VAL A 98 6.509 -14.120 -3.461 1.00 23.15 O ATOM 1585 CB VAL A 98 8.770 -12.212 -4.858 1.00 73.23 C ATOM 1586 CG1 VAL A 98 8.508 -13.329 -5.869 1.00 53.22 C ATOM 1587 CG2 VAL A 98 7.967 -10.958 -5.211 1.00 33.11 C ATOM 0 H VAL A 98 8.933 -14.746 -3.394 1.00 14.44 H new ATOM 0 HA VAL A 98 8.716 -11.897 -2.702 1.00 23.10 H new ATOM 0 HB VAL A 98 9.828 -11.955 -4.905 1.00 73.23 H new ATOM 0 HG11 VAL A 98 8.730 -12.970 -6.874 1.00 53.22 H new ATOM 0 HG12 VAL A 98 9.145 -14.183 -5.640 1.00 53.22 H new ATOM 0 HG13 VAL A 98 7.462 -13.631 -5.814 1.00 53.22 H new ATOM 0 HG21 VAL A 98 8.203 -10.650 -6.230 1.00 33.11 H new ATOM 0 HG22 VAL A 98 6.902 -11.175 -5.135 1.00 33.11 H new ATOM 0 HG23 VAL A 98 8.224 -10.155 -4.520 1.00 33.11 H new ATOM 1597 N THR A 99 6.169 -11.960 -2.919 1.00 10.43 N ATOM 1598 CA THR A 99 4.699 -12.077 -2.815 1.00 21.30 C ATOM 1599 C THR A 99 3.998 -10.795 -3.301 1.00 25.34 C ATOM 1600 O THR A 99 4.519 -9.690 -3.131 1.00 72.34 O ATOM 1601 CB THR A 99 4.240 -12.388 -1.372 1.00 41.22 C ATOM 1602 OG1 THR A 99 2.812 -12.536 -1.330 1.00 72.12 O ATOM 1603 CG2 THR A 99 4.664 -11.286 -0.411 1.00 55.12 C ATOM 0 H THR A 99 6.527 -11.031 -2.699 1.00 10.43 H new ATOM 0 HA THR A 99 4.415 -12.911 -3.457 1.00 21.30 H new ATOM 0 HB THR A 99 4.714 -13.319 -1.063 1.00 41.22 H new ATOM 0 HG1 THR A 99 2.400 -11.673 -1.118 1.00 72.12 H new ATOM 0 HG21 THR A 99 4.327 -11.532 0.596 1.00 55.12 H new ATOM 0 HG22 THR A 99 5.750 -11.195 -0.418 1.00 55.12 H new ATOM 0 HG23 THR A 99 4.218 -10.341 -0.722 1.00 55.12 H new ATOM 1611 N THR A 100 2.832 -10.939 -3.933 1.00 62.12 N ATOM 1612 CA THR A 100 2.088 -9.780 -4.468 1.00 21.25 C ATOM 1613 C THR A 100 0.593 -9.836 -4.100 1.00 22.44 C ATOM 1614 O THR A 100 -0.005 -10.907 -4.054 1.00 5.23 O ATOM 1615 CB THR A 100 2.226 -9.687 -6.012 1.00 33.42 C ATOM 1616 OG1 THR A 100 3.614 -9.622 -6.383 1.00 74.22 O ATOM 1617 CG2 THR A 100 1.503 -8.461 -6.564 1.00 40.41 C ATOM 0 H THR A 100 2.378 -11.839 -4.090 1.00 62.12 H new ATOM 0 HA THR A 100 2.528 -8.894 -4.010 1.00 21.25 H new ATOM 0 HB THR A 100 1.769 -10.581 -6.437 1.00 33.42 H new ATOM 0 HG1 THR A 100 3.690 -9.565 -7.358 1.00 74.22 H new ATOM 0 HG21 THR A 100 1.620 -8.427 -7.647 1.00 40.41 H new ATOM 0 HG22 THR A 100 0.443 -8.521 -6.315 1.00 40.41 H new ATOM 0 HG23 THR A 100 1.929 -7.559 -6.124 1.00 40.41 H new ATOM 1625 N CYS A 101 -0.001 -8.670 -3.838 1.00 4.22 N ATOM 1626 CA CYS A 101 -1.437 -8.572 -3.526 1.00 42.44 C ATOM 1627 C CYS A 101 -2.043 -7.288 -4.119 1.00 61.04 C ATOM 1628 O CYS A 101 -1.355 -6.278 -4.270 1.00 51.30 O ATOM 1629 CB CYS A 101 -1.665 -8.604 -2.007 1.00 2.15 C ATOM 1630 SG CYS A 101 -3.398 -8.420 -1.513 1.00 71.10 S ATOM 0 H CYS A 101 0.488 -7.775 -3.835 1.00 4.22 H new ATOM 0 HA CYS A 101 -1.935 -9.431 -3.976 1.00 42.44 H new ATOM 0 HB2 CYS A 101 -1.285 -9.547 -1.613 1.00 2.15 H new ATOM 0 HB3 CYS A 101 -1.081 -7.807 -1.546 1.00 2.15 H new ATOM 0 HG CYS A 101 -3.486 -8.462 -0.217 1.00 71.10 H new ATOM 1636 N ASN A 102 -3.331 -7.330 -4.461 1.00 73.15 N ATOM 1637 CA ASN A 102 -4.015 -6.172 -5.055 1.00 25.44 C ATOM 1638 C ASN A 102 -4.981 -5.507 -4.054 1.00 72.43 C ATOM 1639 O ASN A 102 -5.568 -6.173 -3.198 1.00 73.00 O ATOM 1640 CB ASN A 102 -4.772 -6.601 -6.320 1.00 12.42 C ATOM 1641 CG ASN A 102 -3.862 -7.274 -7.336 1.00 31.31 C ATOM 1642 OD1 ASN A 102 -3.226 -6.491 -8.183 1.00 40.31 O flip ATOM 1643 ND2 ASN A 102 -3.725 -8.495 -7.355 1.00 74.33 N flip ATOM 0 H ASN A 102 -3.924 -8.151 -4.339 1.00 73.15 H new ATOM 0 HA ASN A 102 -3.257 -5.435 -5.321 1.00 25.44 H new ATOM 0 HB2 ASN A 102 -5.575 -7.285 -6.046 1.00 12.42 H new ATOM 0 HB3 ASN A 102 -5.238 -5.728 -6.776 1.00 12.42 H new ATOM 0 HD21 ASN A 102 -4.231 -9.075 -6.686 1.00 74.33 H new ATOM 0 HD22 ASN A 102 -3.105 -8.928 -8.040 1.00 74.33 H new ATOM 1650 N THR A 103 -5.142 -4.192 -4.177 1.00 35.03 N ATOM 1651 CA THR A 103 -5.985 -3.403 -3.265 1.00 72.24 C ATOM 1652 C THR A 103 -6.850 -2.408 -4.051 1.00 15.31 C ATOM 1653 O THR A 103 -6.444 -1.927 -5.101 1.00 72.14 O ATOM 1654 CB THR A 103 -5.120 -2.615 -2.246 1.00 72.12 C ATOM 1655 OG1 THR A 103 -4.221 -3.506 -1.569 1.00 44.20 O ATOM 1656 CG2 THR A 103 -5.986 -1.895 -1.215 1.00 3.41 C ATOM 0 H THR A 103 -4.695 -3.639 -4.908 1.00 35.03 H new ATOM 0 HA THR A 103 -6.625 -4.103 -2.728 1.00 72.24 H new ATOM 0 HB THR A 103 -4.554 -1.868 -2.803 1.00 72.12 H new ATOM 0 HG1 THR A 103 -3.339 -3.085 -1.492 1.00 44.20 H new ATOM 0 HG21 THR A 103 -5.347 -1.354 -0.517 1.00 3.41 H new ATOM 0 HG22 THR A 103 -6.647 -1.192 -1.722 1.00 3.41 H new ATOM 0 HG23 THR A 103 -6.583 -2.625 -0.668 1.00 3.41 H new ATOM 1664 N ARG A 104 -8.042 -2.107 -3.547 1.00 72.44 N ATOM 1665 CA ARG A 104 -8.942 -1.146 -4.202 1.00 30.02 C ATOM 1666 C ARG A 104 -9.161 0.107 -3.333 1.00 61.23 C ATOM 1667 O ARG A 104 -9.269 0.015 -2.111 1.00 42.35 O ATOM 1668 CB ARG A 104 -10.291 -1.818 -4.508 1.00 54.40 C ATOM 1669 CG ARG A 104 -11.357 -0.857 -5.027 1.00 21.23 C ATOM 1670 CD ARG A 104 -12.681 -1.562 -5.307 1.00 11.31 C ATOM 1671 NE ARG A 104 -13.752 -0.606 -5.558 1.00 3.32 N ATOM 1672 CZ ARG A 104 -14.888 -0.890 -6.129 1.00 3.42 C ATOM 1673 NH1 ARG A 104 -15.157 -2.099 -6.516 1.00 64.20 N ATOM 1674 NH2 ARG A 104 -15.760 0.045 -6.298 1.00 11.52 N ATOM 0 H ARG A 104 -8.413 -2.511 -2.687 1.00 72.44 H new ATOM 0 HA ARG A 104 -8.474 -0.828 -5.133 1.00 30.02 H new ATOM 0 HB2 ARG A 104 -10.135 -2.605 -5.246 1.00 54.40 H new ATOM 0 HB3 ARG A 104 -10.660 -2.299 -3.602 1.00 54.40 H new ATOM 0 HG2 ARG A 104 -11.517 -0.065 -4.296 1.00 21.23 H new ATOM 0 HG3 ARG A 104 -11.001 -0.381 -5.940 1.00 21.23 H new ATOM 0 HD2 ARG A 104 -12.569 -2.219 -6.169 1.00 11.31 H new ATOM 0 HD3 ARG A 104 -12.946 -2.192 -4.458 1.00 11.31 H new ATOM 0 HE ARG A 104 -13.601 0.359 -5.264 1.00 3.32 H new ATOM 0 HH11 ARG A 104 -14.474 -2.844 -6.375 1.00 64.20 H new ATOM 0 HH12 ARG A 104 -16.051 -2.305 -6.962 1.00 64.20 H new ATOM 0 HH21 ARG A 104 -15.557 0.995 -5.986 1.00 11.52 H new ATOM 0 HH22 ARG A 104 -16.653 -0.165 -6.744 1.00 11.52 H new ATOM 1688 N LEU A 105 -9.211 1.276 -3.971 1.00 40.40 N ATOM 1689 CA LEU A 105 -9.537 2.530 -3.279 1.00 31.31 C ATOM 1690 C LEU A 105 -10.556 3.349 -4.086 1.00 13.13 C ATOM 1691 O LEU A 105 -10.341 3.634 -5.266 1.00 50.44 O ATOM 1692 CB LEU A 105 -8.272 3.367 -3.043 1.00 31.03 C ATOM 1693 CG LEU A 105 -8.501 4.699 -2.306 1.00 54.02 C ATOM 1694 CD1 LEU A 105 -9.038 4.453 -0.896 1.00 70.34 C ATOM 1695 CD2 LEU A 105 -7.213 5.521 -2.266 1.00 72.44 C ATOM 0 H LEU A 105 -9.030 1.384 -4.969 1.00 40.40 H new ATOM 0 HA LEU A 105 -9.975 2.273 -2.315 1.00 31.31 H new ATOM 0 HB2 LEU A 105 -7.561 2.770 -2.471 1.00 31.03 H new ATOM 0 HB3 LEU A 105 -7.809 3.577 -4.007 1.00 31.03 H new ATOM 0 HG LEU A 105 -9.250 5.270 -2.855 1.00 54.02 H new ATOM 0 HD11 LEU A 105 -9.192 5.408 -0.394 1.00 70.34 H new ATOM 0 HD12 LEU A 105 -9.985 3.917 -0.956 1.00 70.34 H new ATOM 0 HD13 LEU A 105 -8.320 3.858 -0.332 1.00 70.34 H new ATOM 0 HD21 LEU A 105 -7.396 6.459 -1.741 1.00 72.44 H new ATOM 0 HD22 LEU A 105 -6.438 4.958 -1.745 1.00 72.44 H new ATOM 0 HD23 LEU A 105 -6.885 5.733 -3.284 1.00 72.44 H new ATOM 1707 N ASP A 106 -11.657 3.730 -3.442 1.00 4.23 N ATOM 1708 CA ASP A 106 -12.708 4.516 -4.097 1.00 13.32 C ATOM 1709 C ASP A 106 -12.754 5.958 -3.577 1.00 52.43 C ATOM 1710 O ASP A 106 -12.561 6.212 -2.385 1.00 63.41 O ATOM 1711 CB ASP A 106 -14.076 3.864 -3.880 1.00 74.52 C ATOM 1712 CG ASP A 106 -14.167 2.486 -4.497 1.00 13.11 C ATOM 1713 OD1 ASP A 106 -14.390 2.394 -5.725 1.00 1.02 O ATOM 1714 OD2 ASP A 106 -14.041 1.488 -3.762 1.00 23.45 O ATOM 0 H ASP A 106 -11.848 3.508 -2.465 1.00 4.23 H new ATOM 0 HA ASP A 106 -12.471 4.541 -5.161 1.00 13.32 H new ATOM 0 HB2 ASP A 106 -14.275 3.793 -2.811 1.00 74.52 H new ATOM 0 HB3 ASP A 106 -14.850 4.501 -4.307 1.00 74.52 H new ATOM 1719 N VAL A 107 -13.016 6.896 -4.481 1.00 64.35 N ATOM 1720 CA VAL A 107 -13.242 8.292 -4.108 1.00 1.21 C ATOM 1721 C VAL A 107 -14.627 8.757 -4.586 1.00 75.12 C ATOM 1722 O VAL A 107 -15.101 8.349 -5.651 1.00 11.03 O ATOM 1723 CB VAL A 107 -12.147 9.231 -4.679 1.00 4.20 C ATOM 1724 CG1 VAL A 107 -12.384 10.674 -4.237 1.00 52.41 C ATOM 1725 CG2 VAL A 107 -10.753 8.760 -4.259 1.00 21.12 C ATOM 0 H VAL A 107 -13.078 6.715 -5.483 1.00 64.35 H new ATOM 0 HA VAL A 107 -13.195 8.346 -3.020 1.00 1.21 H new ATOM 0 HB VAL A 107 -12.205 9.194 -5.767 1.00 4.20 H new ATOM 0 HG11 VAL A 107 -11.604 11.314 -4.650 1.00 52.41 H new ATOM 0 HG12 VAL A 107 -13.357 11.010 -4.597 1.00 52.41 H new ATOM 0 HG13 VAL A 107 -12.361 10.730 -3.149 1.00 52.41 H new ATOM 0 HG21 VAL A 107 -10.002 9.434 -4.671 1.00 21.12 H new ATOM 0 HG22 VAL A 107 -10.682 8.759 -3.171 1.00 21.12 H new ATOM 0 HG23 VAL A 107 -10.581 7.751 -4.635 1.00 21.12 H new ATOM 1735 N THR A 108 -15.267 9.610 -3.793 1.00 43.23 N ATOM 1736 CA THR A 108 -16.626 10.087 -4.072 1.00 24.41 C ATOM 1737 C THR A 108 -16.671 11.620 -4.096 1.00 63.11 C ATOM 1738 O THR A 108 -15.949 12.283 -3.350 1.00 52.34 O ATOM 1739 CB THR A 108 -17.624 9.557 -3.011 1.00 23.44 C ATOM 1740 OG1 THR A 108 -17.603 8.122 -2.988 1.00 12.42 O ATOM 1741 CG2 THR A 108 -19.049 10.035 -3.281 1.00 53.01 C ATOM 0 H THR A 108 -14.863 9.993 -2.938 1.00 43.23 H new ATOM 0 HA THR A 108 -16.915 9.708 -5.052 1.00 24.41 H new ATOM 0 HB THR A 108 -17.310 9.951 -2.045 1.00 23.44 H new ATOM 0 HG1 THR A 108 -18.235 7.796 -2.314 1.00 12.42 H new ATOM 0 HG21 THR A 108 -19.716 9.641 -2.514 1.00 53.01 H new ATOM 0 HG22 THR A 108 -19.077 11.124 -3.262 1.00 53.01 H new ATOM 0 HG23 THR A 108 -19.372 9.681 -4.260 1.00 53.01 H new ATOM 1749 N ALA A 109 -17.526 12.180 -4.946 1.00 50.22 N ATOM 1750 CA ALA A 109 -17.620 13.633 -5.099 1.00 45.45 C ATOM 1751 C ALA A 109 -18.358 14.275 -3.917 1.00 22.45 C ATOM 1752 O ALA A 109 -19.423 13.806 -3.509 1.00 24.41 O ATOM 1753 CB ALA A 109 -18.314 13.977 -6.415 1.00 5.14 C ATOM 0 H ALA A 109 -18.165 11.652 -5.541 1.00 50.22 H new ATOM 0 HA ALA A 109 -16.608 14.038 -5.114 1.00 45.45 H new ATOM 0 HB1 ALA A 109 -18.379 15.060 -6.520 1.00 5.14 H new ATOM 0 HB2 ALA A 109 -17.742 13.566 -7.247 1.00 5.14 H new ATOM 0 HB3 ALA A 109 -19.317 13.551 -6.419 1.00 5.14 H new