USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 765 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 27 SER OG : rot -104:sc= 1.1 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.941 USER MOD Single : A 12 THR OG1 : rot 32:sc= 0.944 USER MOD Single : A 14 THR OG1 : rot 103:sc= 1.25 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0911 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -42:sc= 0.0197 USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.0856 (180deg=-0.428) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -24:sc=-0.00618 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc=-0.00488 (180deg=-0.812) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= -0.36 (180deg=-0.36) USER MOD Single : A 71 ASN : amide:sc= -1.92! C(o=-1.9!,f=-2.3!) USER MOD Single : A 79 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.04) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 89:sc= 0.906 USER MOD Single : A 86 MET CE :methyl -158:sc=-0.00665 (180deg=-0.0927) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.266) USER MOD Single : A 93 THR OG1 : rot -20:sc= 0.697 USER MOD Single : A 96 LYS NZ :NH3+ -106:sc= -0.187 (180deg=-1.45) USER MOD Single : A 102 LYS NZ :NH3+ 134:sc= -1.18! (180deg=-6.52!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 165 N THR A 12 17.133 -9.460 -22.448 1.00 65.35 N ATOM 166 CA THR A 12 18.399 -8.763 -22.641 1.00 73.23 C ATOM 167 C THR A 12 18.425 -7.448 -21.870 1.00 60.44 C ATOM 168 O THR A 12 17.650 -6.535 -22.154 1.00 33.11 O ATOM 169 CB THR A 12 18.661 -8.476 -24.132 1.00 34.51 C ATOM 170 OG1 THR A 12 17.699 -7.538 -24.627 1.00 32.13 O ATOM 171 CG2 THR A 12 18.594 -9.758 -24.949 1.00 54.33 C ATOM 0 HA THR A 12 19.182 -9.419 -22.262 1.00 73.23 H new ATOM 0 HB THR A 12 19.661 -8.054 -24.228 1.00 34.51 H new ATOM 0 HG1 THR A 12 17.447 -6.919 -23.910 1.00 32.13 H new ATOM 0 HG21 THR A 12 18.782 -9.531 -25.998 1.00 54.33 H new ATOM 0 HG22 THR A 12 19.347 -10.459 -24.589 1.00 54.33 H new ATOM 0 HG23 THR A 12 17.605 -10.204 -24.846 1.00 54.33 H new ATOM 179 N VAL A 13 19.323 -7.358 -20.894 1.00 54.01 N ATOM 180 CA VAL A 13 19.451 -6.153 -20.083 1.00 22.30 C ATOM 181 C VAL A 13 20.898 -5.929 -19.658 1.00 41.42 C ATOM 182 O VAL A 13 21.640 -6.880 -19.410 1.00 75.22 O ATOM 183 CB VAL A 13 18.564 -6.226 -18.826 1.00 40.40 C ATOM 184 CG1 VAL A 13 18.659 -4.933 -18.030 1.00 24.02 C ATOM 185 CG2 VAL A 13 17.122 -6.520 -19.209 1.00 34.52 C ATOM 0 H VAL A 13 19.972 -8.105 -20.646 1.00 54.01 H new ATOM 0 HA VAL A 13 19.123 -5.318 -20.702 1.00 22.30 H new ATOM 0 HB VAL A 13 18.922 -7.040 -18.196 1.00 40.40 H new ATOM 0 HG11 VAL A 13 18.026 -5.003 -17.146 1.00 24.02 H new ATOM 0 HG12 VAL A 13 19.692 -4.769 -17.724 1.00 24.02 H new ATOM 0 HG13 VAL A 13 18.327 -4.099 -18.649 1.00 24.02 H new ATOM 0 HG21 VAL A 13 16.509 -6.568 -18.309 1.00 34.52 H new ATOM 0 HG22 VAL A 13 16.750 -5.729 -19.860 1.00 34.52 H new ATOM 0 HG23 VAL A 13 17.072 -7.474 -19.733 1.00 34.52 H new ATOM 195 N THR A 14 21.295 -4.663 -19.575 1.00 41.54 N ATOM 196 CA THR A 14 22.654 -4.312 -19.181 1.00 54.31 C ATOM 197 C THR A 14 22.838 -4.437 -17.673 1.00 62.11 C ATOM 198 O THR A 14 22.063 -3.881 -16.894 1.00 64.43 O ATOM 199 CB THR A 14 23.011 -2.877 -19.613 1.00 62.11 C ATOM 200 OG1 THR A 14 24.355 -2.569 -19.225 1.00 71.45 O ATOM 201 CG2 THR A 14 22.055 -1.870 -18.991 1.00 24.51 C ATOM 0 H THR A 14 20.694 -3.863 -19.775 1.00 41.54 H new ATOM 0 HA THR A 14 23.320 -5.012 -19.685 1.00 54.31 H new ATOM 0 HB THR A 14 22.923 -2.815 -20.698 1.00 62.11 H new ATOM 0 HG1 THR A 14 24.942 -2.624 -20.008 1.00 71.45 H new ATOM 0 HG21 THR A 14 22.327 -0.864 -19.311 1.00 24.51 H new ATOM 0 HG22 THR A 14 21.036 -2.089 -19.311 1.00 24.51 H new ATOM 0 HG23 THR A 14 22.115 -1.934 -17.905 1.00 24.51 H new ATOM 209 N VAL A 15 23.870 -5.170 -17.267 1.00 31.32 N ATOM 210 CA VAL A 15 24.157 -5.367 -15.851 1.00 24.00 C ATOM 211 C VAL A 15 25.233 -4.400 -15.369 1.00 64.42 C ATOM 212 O VAL A 15 26.354 -4.395 -15.880 1.00 71.32 O ATOM 213 CB VAL A 15 24.615 -6.810 -15.566 1.00 75.14 C ATOM 214 CG1 VAL A 15 24.815 -7.022 -14.074 1.00 30.34 C ATOM 215 CG2 VAL A 15 23.610 -7.807 -16.125 1.00 10.32 C ATOM 0 H VAL A 15 24.521 -5.637 -17.898 1.00 31.32 H new ATOM 0 HA VAL A 15 23.230 -5.174 -15.311 1.00 24.00 H new ATOM 0 HB VAL A 15 25.571 -6.975 -16.063 1.00 75.14 H new ATOM 0 HG11 VAL A 15 25.138 -8.047 -13.892 1.00 30.34 H new ATOM 0 HG12 VAL A 15 25.574 -6.331 -13.707 1.00 30.34 H new ATOM 0 HG13 VAL A 15 23.876 -6.840 -13.552 1.00 30.34 H new ATOM 0 HG21 VAL A 15 23.949 -8.822 -15.915 1.00 10.32 H new ATOM 0 HG22 VAL A 15 22.638 -7.645 -15.658 1.00 10.32 H new ATOM 0 HG23 VAL A 15 23.522 -7.670 -17.203 1.00 10.32 H new ATOM 225 N THR A 16 24.886 -3.582 -14.381 1.00 2.31 N ATOM 226 CA THR A 16 25.822 -2.610 -13.830 1.00 14.54 C ATOM 227 C THR A 16 27.055 -3.297 -13.256 1.00 30.33 C ATOM 228 O THR A 16 27.117 -4.525 -13.185 1.00 55.12 O ATOM 229 CB THR A 16 25.163 -1.759 -12.727 1.00 52.44 C ATOM 230 OG1 THR A 16 23.741 -1.748 -12.900 1.00 64.14 O ATOM 231 CG2 THR A 16 25.693 -0.333 -12.755 1.00 53.12 C ATOM 0 H THR A 16 23.964 -3.573 -13.946 1.00 2.31 H new ATOM 0 HA THR A 16 26.122 -1.960 -14.652 1.00 14.54 H new ATOM 0 HB THR A 16 25.408 -2.202 -11.762 1.00 52.44 H new ATOM 0 HG1 THR A 16 23.330 -1.207 -12.194 1.00 64.14 H new ATOM 0 HG21 THR A 16 25.214 0.249 -11.968 1.00 53.12 H new ATOM 0 HG22 THR A 16 26.771 -0.342 -12.594 1.00 53.12 H new ATOM 0 HG23 THR A 16 25.475 0.117 -13.723 1.00 53.12 H new ATOM 239 N ASP A 17 28.035 -2.499 -12.846 1.00 72.22 N ATOM 240 CA ASP A 17 29.267 -3.032 -12.276 1.00 50.32 C ATOM 241 C ASP A 17 29.054 -3.464 -10.829 1.00 33.11 C ATOM 242 O ASP A 17 29.545 -4.510 -10.404 1.00 41.31 O ATOM 243 CB ASP A 17 30.382 -1.987 -12.351 1.00 34.15 C ATOM 244 CG ASP A 17 31.741 -2.565 -12.008 1.00 74.10 C ATOM 245 OD1 ASP A 17 31.943 -3.778 -12.228 1.00 55.11 O ATOM 246 OD2 ASP A 17 32.603 -1.805 -11.521 1.00 14.53 O ATOM 0 H ASP A 17 28.000 -1.481 -12.898 1.00 72.22 H new ATOM 0 HA ASP A 17 29.559 -3.906 -12.858 1.00 50.32 H new ATOM 0 HB2 ASP A 17 30.413 -1.564 -13.355 1.00 34.15 H new ATOM 0 HB3 ASP A 17 30.156 -1.169 -11.668 1.00 34.15 H new ATOM 251 N SER A 18 28.319 -2.652 -10.076 1.00 53.21 N ATOM 252 CA SER A 18 28.044 -2.948 -8.675 1.00 5.32 C ATOM 253 C SER A 18 27.105 -4.143 -8.546 1.00 2.03 C ATOM 254 O SER A 18 27.206 -4.929 -7.603 1.00 12.54 O ATOM 255 CB SER A 18 27.433 -1.727 -7.984 1.00 60.21 C ATOM 256 OG SER A 18 28.426 -0.763 -7.678 1.00 71.53 O ATOM 0 H SER A 18 27.903 -1.784 -10.413 1.00 53.21 H new ATOM 0 HA SER A 18 28.988 -3.196 -8.190 1.00 5.32 H new ATOM 0 HB2 SER A 18 26.676 -1.281 -8.629 1.00 60.21 H new ATOM 0 HB3 SER A 18 26.929 -2.038 -7.069 1.00 60.21 H new ATOM 0 HG SER A 18 28.009 0.008 -7.239 1.00 71.53 H new ATOM 262 N THR A 19 26.190 -4.275 -9.501 1.00 43.33 N ATOM 263 CA THR A 19 25.232 -5.372 -9.495 1.00 74.35 C ATOM 264 C THR A 19 25.816 -6.617 -10.154 1.00 42.41 C ATOM 265 O THR A 19 25.318 -7.726 -9.961 1.00 53.32 O ATOM 266 CB THR A 19 23.929 -4.985 -10.221 1.00 45.25 C ATOM 267 OG1 THR A 19 22.924 -5.977 -9.987 1.00 51.11 O ATOM 268 CG2 THR A 19 24.167 -4.839 -11.717 1.00 74.11 C ATOM 0 H THR A 19 26.093 -3.635 -10.289 1.00 43.33 H new ATOM 0 HA THR A 19 25.007 -5.588 -8.451 1.00 74.35 H new ATOM 0 HB THR A 19 23.590 -4.027 -9.827 1.00 45.25 H new ATOM 0 HG1 THR A 19 23.325 -6.869 -10.046 1.00 51.11 H new ATOM 0 HG21 THR A 19 23.234 -4.566 -12.209 1.00 74.11 H new ATOM 0 HG22 THR A 19 24.911 -4.062 -11.893 1.00 74.11 H new ATOM 0 HG23 THR A 19 24.527 -5.785 -12.122 1.00 74.11 H new ATOM 276 N PHE A 20 26.877 -6.426 -10.932 1.00 14.21 N ATOM 277 CA PHE A 20 27.529 -7.534 -11.620 1.00 5.43 C ATOM 278 C PHE A 20 27.846 -8.667 -10.648 1.00 13.42 C ATOM 279 O PHE A 20 27.482 -9.820 -10.880 1.00 44.35 O ATOM 280 CB PHE A 20 28.815 -7.054 -12.298 1.00 32.44 C ATOM 281 CG PHE A 20 29.202 -7.873 -13.496 1.00 32.42 C ATOM 282 CD1 PHE A 20 30.012 -8.988 -13.357 1.00 24.41 C ATOM 283 CD2 PHE A 20 28.755 -7.528 -14.761 1.00 43.21 C ATOM 284 CE1 PHE A 20 30.370 -9.744 -14.457 1.00 61.53 C ATOM 285 CE2 PHE A 20 29.109 -8.280 -15.865 1.00 63.21 C ATOM 286 CZ PHE A 20 29.919 -9.389 -15.713 1.00 73.12 C ATOM 0 H PHE A 20 27.303 -5.515 -11.101 1.00 14.21 H new ATOM 0 HA PHE A 20 26.844 -7.911 -12.379 1.00 5.43 H new ATOM 0 HB2 PHE A 20 28.690 -6.015 -12.603 1.00 32.44 H new ATOM 0 HB3 PHE A 20 29.629 -7.077 -11.573 1.00 32.44 H new ATOM 0 HD1 PHE A 20 30.368 -9.270 -12.377 1.00 24.41 H new ATOM 0 HD2 PHE A 20 28.123 -6.661 -14.886 1.00 43.21 H new ATOM 0 HE1 PHE A 20 31.002 -10.611 -14.335 1.00 61.53 H new ATOM 0 HE2 PHE A 20 28.753 -8.001 -16.846 1.00 63.21 H new ATOM 0 HZ PHE A 20 30.199 -9.977 -16.575 1.00 73.12 H new ATOM 296 N LYS A 21 28.526 -8.330 -9.557 1.00 50.22 N ATOM 297 CA LYS A 21 28.892 -9.317 -8.548 1.00 51.50 C ATOM 298 C LYS A 21 27.650 -9.898 -7.881 1.00 30.55 C ATOM 299 O LYS A 21 27.719 -10.925 -7.204 1.00 31.03 O ATOM 300 CB LYS A 21 29.802 -8.684 -7.493 1.00 11.32 C ATOM 301 CG LYS A 21 29.216 -7.437 -6.853 1.00 51.11 C ATOM 302 CD LYS A 21 29.814 -6.172 -7.446 1.00 72.24 C ATOM 303 CE LYS A 21 29.879 -5.052 -6.420 1.00 4.13 C ATOM 304 NZ LYS A 21 30.839 -5.360 -5.324 1.00 4.44 N ATOM 0 H LYS A 21 28.835 -7.380 -9.349 1.00 50.22 H new ATOM 0 HA LYS A 21 29.429 -10.126 -9.044 1.00 51.50 H new ATOM 0 HB2 LYS A 21 30.008 -9.419 -6.715 1.00 11.32 H new ATOM 0 HB3 LYS A 21 30.757 -8.431 -7.954 1.00 11.32 H new ATOM 0 HG2 LYS A 21 28.135 -7.429 -6.992 1.00 51.11 H new ATOM 0 HG3 LYS A 21 29.399 -7.458 -5.779 1.00 51.11 H new ATOM 0 HD2 LYS A 21 30.816 -6.383 -7.820 1.00 72.24 H new ATOM 0 HD3 LYS A 21 29.216 -5.851 -8.299 1.00 72.24 H new ATOM 0 HE2 LYS A 21 30.174 -4.125 -6.912 1.00 4.13 H new ATOM 0 HE3 LYS A 21 28.887 -4.887 -5.999 1.00 4.13 H new ATOM 0 HZ1 LYS A 21 31.191 -4.473 -4.912 1.00 4.44 H new ATOM 0 HZ2 LYS A 21 30.359 -5.917 -4.588 1.00 4.44 H new ATOM 0 HZ3 LYS A 21 31.638 -5.906 -5.705 1.00 4.44 H new ATOM 318 N THR A 22 26.513 -9.237 -8.076 1.00 64.14 N ATOM 319 CA THR A 22 25.256 -9.689 -7.494 1.00 1.11 C ATOM 320 C THR A 22 24.491 -10.583 -8.463 1.00 23.31 C ATOM 321 O THR A 22 23.797 -11.512 -8.049 1.00 52.21 O ATOM 322 CB THR A 22 24.362 -8.500 -7.096 1.00 51.50 C ATOM 323 OG1 THR A 22 25.162 -7.449 -6.541 1.00 73.40 O ATOM 324 CG2 THR A 22 23.308 -8.929 -6.086 1.00 40.25 C ATOM 0 H THR A 22 26.437 -8.386 -8.633 1.00 64.14 H new ATOM 0 HA THR A 22 25.509 -10.260 -6.600 1.00 1.11 H new ATOM 0 HB THR A 22 23.858 -8.138 -7.992 1.00 51.50 H new ATOM 0 HG1 THR A 22 24.586 -6.696 -6.292 1.00 73.40 H new ATOM 0 HG21 THR A 22 22.689 -8.072 -5.820 1.00 40.25 H new ATOM 0 HG22 THR A 22 22.682 -9.708 -6.522 1.00 40.25 H new ATOM 0 HG23 THR A 22 23.797 -9.315 -5.191 1.00 40.25 H new ATOM 332 N ASP A 23 24.624 -10.298 -9.754 1.00 34.34 N ATOM 333 CA ASP A 23 23.946 -11.079 -10.782 1.00 53.33 C ATOM 334 C ASP A 23 24.878 -12.137 -11.364 1.00 51.11 C ATOM 335 O ASP A 23 24.713 -13.331 -11.112 1.00 42.42 O ATOM 336 CB ASP A 23 23.437 -10.162 -11.896 1.00 12.14 C ATOM 337 CG ASP A 23 22.975 -10.934 -13.116 1.00 34.14 C ATOM 338 OD1 ASP A 23 23.638 -10.832 -14.169 1.00 54.13 O ATOM 339 OD2 ASP A 23 21.950 -11.641 -13.017 1.00 24.44 O ATOM 0 H ASP A 23 25.195 -9.533 -10.113 1.00 34.34 H new ATOM 0 HA ASP A 23 23.097 -11.583 -10.320 1.00 53.33 H new ATOM 0 HB2 ASP A 23 22.612 -9.559 -11.517 1.00 12.14 H new ATOM 0 HB3 ASP A 23 24.230 -9.472 -12.185 1.00 12.14 H new ATOM 344 N VAL A 24 25.857 -11.691 -12.145 1.00 21.03 N ATOM 345 CA VAL A 24 26.816 -12.599 -12.763 1.00 31.24 C ATOM 346 C VAL A 24 27.434 -13.533 -11.728 1.00 4.50 C ATOM 347 O VAL A 24 27.138 -14.728 -11.697 1.00 55.45 O ATOM 348 CB VAL A 24 27.940 -11.827 -13.478 1.00 40.31 C ATOM 349 CG1 VAL A 24 28.853 -12.785 -14.227 1.00 44.24 C ATOM 350 CG2 VAL A 24 27.354 -10.787 -14.422 1.00 24.30 C ATOM 0 H VAL A 24 26.007 -10.706 -12.365 1.00 21.03 H new ATOM 0 HA VAL A 24 26.266 -13.188 -13.497 1.00 31.24 H new ATOM 0 HB VAL A 24 28.536 -11.308 -12.727 1.00 40.31 H new ATOM 0 HG11 VAL A 24 29.641 -12.221 -14.726 1.00 44.24 H new ATOM 0 HG12 VAL A 24 29.299 -13.487 -13.523 1.00 44.24 H new ATOM 0 HG13 VAL A 24 28.274 -13.334 -14.970 1.00 44.24 H new ATOM 0 HG21 VAL A 24 28.162 -10.250 -14.919 1.00 24.30 H new ATOM 0 HG22 VAL A 24 26.734 -11.282 -15.169 1.00 24.30 H new ATOM 0 HG23 VAL A 24 26.746 -10.082 -13.855 1.00 24.30 H new ATOM 360 N LEU A 25 28.296 -12.980 -10.881 1.00 15.11 N ATOM 361 CA LEU A 25 28.957 -13.763 -9.843 1.00 12.35 C ATOM 362 C LEU A 25 27.980 -14.734 -9.188 1.00 30.30 C ATOM 363 O LEU A 25 28.189 -15.947 -9.207 1.00 22.43 O ATOM 364 CB LEU A 25 29.559 -12.837 -8.784 1.00 64.12 C ATOM 365 CG LEU A 25 31.003 -12.394 -9.023 1.00 63.54 C ATOM 366 CD1 LEU A 25 31.440 -11.401 -7.958 1.00 65.11 C ATOM 367 CD2 LEU A 25 31.933 -13.599 -9.046 1.00 44.32 C ATOM 0 H LEU A 25 28.553 -11.993 -10.893 1.00 15.11 H new ATOM 0 HA LEU A 25 29.756 -14.339 -10.310 1.00 12.35 H new ATOM 0 HB2 LEU A 25 28.934 -11.947 -8.711 1.00 64.12 H new ATOM 0 HB3 LEU A 25 29.510 -13.341 -7.819 1.00 64.12 H new ATOM 0 HG LEU A 25 31.056 -11.900 -9.993 1.00 63.54 H new ATOM 0 HD11 LEU A 25 32.470 -11.097 -8.145 1.00 65.11 H new ATOM 0 HD12 LEU A 25 30.792 -10.525 -7.989 1.00 65.11 H new ATOM 0 HD13 LEU A 25 31.372 -11.868 -6.975 1.00 65.11 H new ATOM 0 HD21 LEU A 25 32.957 -13.265 -9.217 1.00 44.32 H new ATOM 0 HD22 LEU A 25 31.876 -14.121 -8.091 1.00 44.32 H new ATOM 0 HD23 LEU A 25 31.633 -14.275 -9.847 1.00 44.32 H new ATOM 379 N ASP A 26 26.912 -14.193 -8.612 1.00 23.31 N ATOM 380 CA ASP A 26 25.901 -15.012 -7.954 1.00 73.43 C ATOM 381 C ASP A 26 25.455 -16.157 -8.860 1.00 3.44 C ATOM 382 O ASP A 26 25.674 -17.328 -8.550 1.00 44.30 O ATOM 383 CB ASP A 26 24.695 -14.156 -7.563 1.00 43.15 C ATOM 384 CG ASP A 26 23.551 -14.984 -7.011 1.00 45.35 C ATOM 385 OD1 ASP A 26 22.535 -15.137 -7.720 1.00 60.51 O ATOM 386 OD2 ASP A 26 23.672 -15.477 -5.870 1.00 64.24 O ATOM 0 H ASP A 26 26.724 -13.191 -8.588 1.00 23.31 H new ATOM 0 HA ASP A 26 26.343 -15.436 -7.053 1.00 73.43 H new ATOM 0 HB2 ASP A 26 25.001 -13.422 -6.818 1.00 43.15 H new ATOM 0 HB3 ASP A 26 24.350 -13.600 -8.435 1.00 43.15 H new ATOM 391 N SER A 27 24.828 -15.809 -9.979 1.00 20.22 N ATOM 392 CA SER A 27 24.347 -16.807 -10.927 1.00 21.21 C ATOM 393 C SER A 27 25.481 -17.727 -11.369 1.00 70.30 C ATOM 394 O SER A 27 26.630 -17.301 -11.489 1.00 32.40 O ATOM 395 CB SER A 27 23.724 -16.125 -12.146 1.00 41.32 C ATOM 396 OG SER A 27 22.827 -16.995 -12.815 1.00 2.52 O ATOM 0 H SER A 27 24.641 -14.844 -10.251 1.00 20.22 H new ATOM 0 HA SER A 27 23.587 -17.409 -10.429 1.00 21.21 H new ATOM 0 HB2 SER A 27 23.196 -15.224 -11.832 1.00 41.32 H new ATOM 0 HB3 SER A 27 24.510 -15.811 -12.832 1.00 41.32 H new ATOM 0 HG SER A 27 23.250 -17.337 -13.630 1.00 2.52 H new ATOM 402 N ASP A 28 25.149 -18.991 -11.610 1.00 1.13 N ATOM 403 CA ASP A 28 26.138 -19.973 -12.040 1.00 1.53 C ATOM 404 C ASP A 28 25.951 -20.323 -13.512 1.00 71.35 C ATOM 405 O ASP A 28 26.147 -21.469 -13.919 1.00 43.04 O ATOM 406 CB ASP A 28 26.038 -21.237 -11.185 1.00 2.22 C ATOM 407 CG ASP A 28 26.742 -21.090 -9.850 1.00 70.20 C ATOM 408 OD1 ASP A 28 26.083 -20.671 -8.876 1.00 24.15 O ATOM 409 OD2 ASP A 28 27.952 -21.394 -9.780 1.00 55.20 O ATOM 0 H ASP A 28 24.203 -19.360 -11.515 1.00 1.13 H new ATOM 0 HA ASP A 28 27.128 -19.535 -11.912 1.00 1.53 H new ATOM 0 HB2 ASP A 28 24.988 -21.475 -11.015 1.00 2.22 H new ATOM 0 HB3 ASP A 28 26.470 -22.076 -11.730 1.00 2.22 H new ATOM 414 N THR A 29 25.569 -19.329 -14.308 1.00 74.45 N ATOM 415 CA THR A 29 25.352 -19.533 -15.735 1.00 44.03 C ATOM 416 C THR A 29 26.321 -18.697 -16.563 1.00 45.40 C ATOM 417 O THR A 29 26.898 -17.719 -16.087 1.00 4.31 O ATOM 418 CB THR A 29 23.910 -19.178 -16.141 1.00 55.12 C ATOM 419 OG1 THR A 29 23.319 -18.324 -15.155 1.00 21.44 O ATOM 420 CG2 THR A 29 23.068 -20.435 -16.301 1.00 55.32 C ATOM 0 H THR A 29 25.404 -18.375 -13.988 1.00 74.45 H new ATOM 0 HA THR A 29 25.527 -20.591 -15.933 1.00 44.03 H new ATOM 0 HB THR A 29 23.943 -18.658 -17.098 1.00 55.12 H new ATOM 0 HG1 THR A 29 22.403 -18.102 -15.422 1.00 21.44 H new ATOM 0 HG21 THR A 29 22.053 -20.159 -16.588 1.00 55.32 H new ATOM 0 HG22 THR A 29 23.504 -21.069 -17.073 1.00 55.32 H new ATOM 0 HG23 THR A 29 23.043 -20.979 -15.357 1.00 55.32 H new ATOM 428 N PRO A 30 26.506 -19.087 -17.833 1.00 30.11 N ATOM 429 CA PRO A 30 27.405 -18.385 -18.754 1.00 74.43 C ATOM 430 C PRO A 30 26.872 -17.013 -19.151 1.00 12.33 C ATOM 431 O PRO A 30 25.927 -16.904 -19.932 1.00 73.42 O ATOM 432 CB PRO A 30 27.457 -19.311 -19.972 1.00 51.14 C ATOM 433 CG PRO A 30 26.177 -20.072 -19.925 1.00 63.20 C ATOM 434 CD PRO A 30 25.851 -20.243 -18.467 1.00 61.52 C ATOM 0 HA PRO A 30 28.379 -18.192 -18.305 1.00 74.43 H new ATOM 0 HB2 PRO A 30 27.546 -18.743 -20.898 1.00 51.14 H new ATOM 0 HB3 PRO A 30 28.317 -19.979 -19.925 1.00 51.14 H new ATOM 0 HG2 PRO A 30 25.383 -19.533 -20.442 1.00 63.20 H new ATOM 0 HG3 PRO A 30 26.279 -21.039 -20.418 1.00 63.20 H new ATOM 0 HD2 PRO A 30 24.775 -20.240 -18.293 1.00 61.52 H new ATOM 0 HD3 PRO A 30 26.235 -21.186 -18.077 1.00 61.52 H new ATOM 442 N VAL A 31 27.484 -15.966 -18.607 1.00 43.43 N ATOM 443 CA VAL A 31 27.072 -14.599 -18.906 1.00 24.23 C ATOM 444 C VAL A 31 27.784 -14.069 -20.145 1.00 60.14 C ATOM 445 O VAL A 31 29.011 -13.960 -20.172 1.00 33.12 O ATOM 446 CB VAL A 31 27.356 -13.656 -17.722 1.00 24.14 C ATOM 447 CG1 VAL A 31 26.933 -12.234 -18.058 1.00 31.33 C ATOM 448 CG2 VAL A 31 26.651 -14.149 -16.467 1.00 54.04 C ATOM 0 H VAL A 31 28.267 -16.038 -17.957 1.00 43.43 H new ATOM 0 HA VAL A 31 25.998 -14.625 -19.091 1.00 24.23 H new ATOM 0 HB VAL A 31 28.429 -13.654 -17.531 1.00 24.14 H new ATOM 0 HG11 VAL A 31 27.141 -11.582 -17.209 1.00 31.33 H new ATOM 0 HG12 VAL A 31 27.489 -11.885 -18.928 1.00 31.33 H new ATOM 0 HG13 VAL A 31 25.865 -12.214 -18.277 1.00 31.33 H new ATOM 0 HG21 VAL A 31 26.863 -13.471 -15.640 1.00 54.04 H new ATOM 0 HG22 VAL A 31 25.576 -14.182 -16.643 1.00 54.04 H new ATOM 0 HG23 VAL A 31 27.009 -15.148 -16.217 1.00 54.04 H new ATOM 458 N LEU A 32 27.007 -13.740 -21.171 1.00 70.03 N ATOM 459 CA LEU A 32 27.562 -13.220 -22.416 1.00 5.21 C ATOM 460 C LEU A 32 27.529 -11.695 -22.432 1.00 4.03 C ATOM 461 O LEU A 32 26.496 -11.089 -22.714 1.00 14.23 O ATOM 462 CB LEU A 32 26.786 -13.771 -23.613 1.00 42.44 C ATOM 463 CG LEU A 32 27.353 -15.037 -24.256 1.00 20.12 C ATOM 464 CD1 LEU A 32 27.157 -16.234 -23.339 1.00 30.43 C ATOM 465 CD2 LEU A 32 26.702 -15.287 -25.608 1.00 54.42 C ATOM 0 H LEU A 32 25.990 -13.824 -21.165 1.00 70.03 H new ATOM 0 HA LEU A 32 28.601 -13.543 -22.485 1.00 5.21 H new ATOM 0 HB2 LEU A 32 25.764 -13.976 -23.295 1.00 42.44 H new ATOM 0 HB3 LEU A 32 26.733 -12.993 -24.375 1.00 42.44 H new ATOM 0 HG LEU A 32 28.422 -14.895 -24.411 1.00 20.12 H new ATOM 0 HD11 LEU A 32 27.566 -17.126 -23.813 1.00 30.43 H new ATOM 0 HD12 LEU A 32 27.671 -16.057 -22.394 1.00 30.43 H new ATOM 0 HD13 LEU A 32 26.093 -16.379 -23.152 1.00 30.43 H new ATOM 0 HD21 LEU A 32 27.118 -16.192 -26.050 1.00 54.42 H new ATOM 0 HD22 LEU A 32 25.627 -15.408 -25.477 1.00 54.42 H new ATOM 0 HD23 LEU A 32 26.894 -14.440 -26.267 1.00 54.42 H new ATOM 477 N VAL A 33 28.668 -11.080 -22.129 1.00 24.23 N ATOM 478 CA VAL A 33 28.771 -9.626 -22.111 1.00 40.12 C ATOM 479 C VAL A 33 29.416 -9.105 -23.391 1.00 21.14 C ATOM 480 O VAL A 33 30.379 -9.685 -23.893 1.00 50.10 O ATOM 481 CB VAL A 33 29.588 -9.135 -20.901 1.00 72.40 C ATOM 482 CG1 VAL A 33 30.952 -9.808 -20.869 1.00 74.20 C ATOM 483 CG2 VAL A 33 29.732 -7.621 -20.934 1.00 73.42 C ATOM 0 H VAL A 33 29.533 -11.567 -21.893 1.00 24.23 H new ATOM 0 HA VAL A 33 27.755 -9.238 -22.035 1.00 40.12 H new ATOM 0 HB VAL A 33 29.054 -9.406 -19.990 1.00 72.40 H new ATOM 0 HG11 VAL A 33 31.515 -9.449 -20.007 1.00 74.20 H new ATOM 0 HG12 VAL A 33 30.823 -10.888 -20.794 1.00 74.20 H new ATOM 0 HG13 VAL A 33 31.497 -9.570 -21.783 1.00 74.20 H new ATOM 0 HG21 VAL A 33 30.312 -7.292 -20.072 1.00 73.42 H new ATOM 0 HG22 VAL A 33 30.243 -7.324 -21.850 1.00 73.42 H new ATOM 0 HG23 VAL A 33 28.744 -7.161 -20.904 1.00 73.42 H new ATOM 493 N ASP A 34 28.880 -8.008 -23.913 1.00 14.34 N ATOM 494 CA ASP A 34 29.404 -7.407 -25.134 1.00 12.45 C ATOM 495 C ASP A 34 29.750 -5.938 -24.911 1.00 12.41 C ATOM 496 O ASP A 34 28.894 -5.138 -24.530 1.00 61.33 O ATOM 497 CB ASP A 34 28.388 -7.538 -26.269 1.00 14.30 C ATOM 498 CG ASP A 34 27.598 -8.830 -26.193 1.00 41.21 C ATOM 499 OD1 ASP A 34 28.221 -9.896 -26.008 1.00 23.24 O ATOM 500 OD2 ASP A 34 26.357 -8.774 -26.318 1.00 61.54 O ATOM 0 H ASP A 34 28.083 -7.516 -23.510 1.00 14.34 H new ATOM 0 HA ASP A 34 30.315 -7.939 -25.410 1.00 12.45 H new ATOM 0 HB2 ASP A 34 27.700 -6.693 -26.237 1.00 14.30 H new ATOM 0 HB3 ASP A 34 28.908 -7.489 -27.226 1.00 14.30 H new ATOM 505 N PHE A 35 31.010 -5.589 -25.150 1.00 13.05 N ATOM 506 CA PHE A 35 31.470 -4.216 -24.973 1.00 74.51 C ATOM 507 C PHE A 35 31.563 -3.497 -26.316 1.00 33.24 C ATOM 508 O PHE A 35 32.603 -3.520 -26.973 1.00 62.11 O ATOM 509 CB PHE A 35 32.832 -4.198 -24.276 1.00 72.25 C ATOM 510 CG PHE A 35 32.747 -4.389 -22.789 1.00 61.51 C ATOM 511 CD1 PHE A 35 32.521 -5.646 -22.251 1.00 11.24 C ATOM 512 CD2 PHE A 35 32.893 -3.313 -21.929 1.00 41.45 C ATOM 513 CE1 PHE A 35 32.443 -5.825 -20.882 1.00 73.43 C ATOM 514 CE2 PHE A 35 32.816 -3.486 -20.561 1.00 24.15 C ATOM 515 CZ PHE A 35 32.590 -4.744 -20.036 1.00 54.23 C ATOM 0 H PHE A 35 31.731 -6.238 -25.467 1.00 13.05 H new ATOM 0 HA PHE A 35 30.744 -3.693 -24.350 1.00 74.51 H new ATOM 0 HB2 PHE A 35 33.458 -4.983 -24.700 1.00 72.25 H new ATOM 0 HB3 PHE A 35 33.325 -3.249 -24.485 1.00 72.25 H new ATOM 0 HD1 PHE A 35 32.405 -6.495 -22.908 1.00 11.24 H new ATOM 0 HD2 PHE A 35 33.069 -2.327 -22.333 1.00 41.45 H new ATOM 0 HE1 PHE A 35 32.267 -6.810 -20.475 1.00 73.43 H new ATOM 0 HE2 PHE A 35 32.932 -2.638 -19.902 1.00 24.15 H new ATOM 0 HZ PHE A 35 32.529 -4.881 -18.967 1.00 54.23 H new ATOM 525 N TRP A 36 30.468 -2.861 -26.716 1.00 1.44 N ATOM 526 CA TRP A 36 30.425 -2.135 -27.980 1.00 42.21 C ATOM 527 C TRP A 36 29.804 -0.755 -27.795 1.00 1.21 C ATOM 528 O TRP A 36 29.622 -0.292 -26.669 1.00 62.02 O ATOM 529 CB TRP A 36 29.634 -2.929 -29.021 1.00 14.53 C ATOM 530 CG TRP A 36 28.380 -3.541 -28.473 1.00 21.20 C ATOM 531 CD1 TRP A 36 27.542 -2.999 -27.541 1.00 5.24 C ATOM 532 CD2 TRP A 36 27.824 -4.813 -28.823 1.00 24.42 C ATOM 533 NE1 TRP A 36 26.499 -3.857 -27.290 1.00 24.43 N ATOM 534 CE2 TRP A 36 26.649 -4.977 -28.064 1.00 72.22 C ATOM 535 CE3 TRP A 36 28.204 -5.829 -29.704 1.00 61.12 C ATOM 536 CZ2 TRP A 36 25.853 -6.116 -28.161 1.00 43.23 C ATOM 537 CZ3 TRP A 36 27.414 -6.959 -29.799 1.00 53.41 C ATOM 538 CH2 TRP A 36 26.249 -7.094 -29.032 1.00 71.51 C ATOM 0 H TRP A 36 29.598 -2.833 -26.184 1.00 1.44 H new ATOM 0 HA TRP A 36 31.449 -2.007 -28.332 1.00 42.21 H new ATOM 0 HB2 TRP A 36 29.376 -2.271 -29.851 1.00 14.53 H new ATOM 0 HB3 TRP A 36 30.268 -3.718 -29.425 1.00 14.53 H new ATOM 0 HD1 TRP A 36 27.679 -2.037 -27.070 1.00 5.24 H new ATOM 0 HE1 TRP A 36 25.737 -3.688 -26.634 1.00 24.43 H new ATOM 0 HE3 TRP A 36 29.099 -5.733 -30.300 1.00 61.12 H new ATOM 0 HZ2 TRP A 36 24.955 -6.223 -27.570 1.00 43.23 H new ATOM 0 HZ3 TRP A 36 27.699 -7.751 -30.476 1.00 53.41 H new ATOM 0 HH2 TRP A 36 25.652 -7.988 -29.130 1.00 71.51 H new ATOM 549 N ALA A 37 29.480 -0.102 -28.906 1.00 65.25 N ATOM 550 CA ALA A 37 28.877 1.224 -28.866 1.00 5.25 C ATOM 551 C ALA A 37 27.601 1.221 -28.031 1.00 40.53 C ATOM 552 O ALA A 37 27.331 0.272 -27.295 1.00 43.31 O ATOM 553 CB ALA A 37 28.588 1.716 -30.276 1.00 35.11 C ATOM 0 H ALA A 37 29.625 -0.470 -29.846 1.00 65.25 H new ATOM 0 HA ALA A 37 29.586 1.905 -28.395 1.00 5.25 H new ATOM 0 HB1 ALA A 37 28.138 2.708 -30.230 1.00 35.11 H new ATOM 0 HB2 ALA A 37 29.518 1.766 -30.842 1.00 35.11 H new ATOM 0 HB3 ALA A 37 27.901 1.028 -30.768 1.00 35.11 H new ATOM 559 N ASP A 38 26.820 2.289 -28.151 1.00 15.01 N ATOM 560 CA ASP A 38 25.571 2.409 -27.408 1.00 14.43 C ATOM 561 C ASP A 38 24.465 1.590 -28.066 1.00 62.03 C ATOM 562 O ASP A 38 23.289 1.737 -27.735 1.00 12.30 O ATOM 563 CB ASP A 38 25.148 3.876 -27.313 1.00 51.33 C ATOM 564 CG ASP A 38 26.261 4.768 -26.798 1.00 72.42 C ATOM 565 OD1 ASP A 38 26.203 5.166 -25.616 1.00 24.33 O ATOM 566 OD2 ASP A 38 27.190 5.066 -27.577 1.00 53.22 O ATOM 0 H ASP A 38 27.030 3.084 -28.755 1.00 15.01 H new ATOM 0 HA ASP A 38 25.737 2.020 -26.403 1.00 14.43 H new ATOM 0 HB2 ASP A 38 24.833 4.225 -28.297 1.00 51.33 H new ATOM 0 HB3 ASP A 38 24.284 3.960 -26.653 1.00 51.33 H new ATOM 571 N TRP A 39 24.851 0.728 -29.000 1.00 43.41 N ATOM 572 CA TRP A 39 23.892 -0.114 -29.706 1.00 44.22 C ATOM 573 C TRP A 39 23.146 0.685 -30.769 1.00 62.45 C ATOM 574 O TRP A 39 22.141 1.334 -30.479 1.00 73.04 O ATOM 575 CB TRP A 39 22.897 -0.727 -28.719 1.00 45.05 C ATOM 576 CG TRP A 39 23.508 -1.063 -27.392 1.00 54.23 C ATOM 577 CD1 TRP A 39 24.806 -1.410 -27.152 1.00 3.24 C ATOM 578 CD2 TRP A 39 22.843 -1.085 -26.125 1.00 34.24 C ATOM 579 NE1 TRP A 39 24.989 -1.647 -25.810 1.00 52.34 N ATOM 580 CE2 TRP A 39 23.800 -1.453 -25.159 1.00 34.43 C ATOM 581 CE3 TRP A 39 21.533 -0.828 -25.711 1.00 31.11 C ATOM 582 CZ2 TRP A 39 23.486 -1.571 -23.807 1.00 74.34 C ATOM 583 CZ3 TRP A 39 21.223 -0.946 -24.369 1.00 53.25 C ATOM 584 CH2 TRP A 39 22.196 -1.314 -23.430 1.00 55.25 C ATOM 0 H TRP A 39 25.821 0.594 -29.286 1.00 43.41 H new ATOM 0 HA TRP A 39 24.443 -0.914 -30.200 1.00 44.22 H new ATOM 0 HB2 TRP A 39 22.072 -0.031 -28.566 1.00 45.05 H new ATOM 0 HB3 TRP A 39 22.473 -1.632 -29.156 1.00 45.05 H new ATOM 0 HD1 TRP A 39 25.576 -1.487 -27.905 1.00 3.24 H new ATOM 0 HE1 TRP A 39 25.867 -1.922 -25.371 1.00 52.34 H new ATOM 0 HE3 TRP A 39 20.776 -0.542 -26.427 1.00 31.11 H new ATOM 0 HZ2 TRP A 39 24.234 -1.855 -23.082 1.00 74.34 H new ATOM 0 HZ3 TRP A 39 20.213 -0.751 -24.038 1.00 53.25 H new ATOM 0 HH2 TRP A 39 21.922 -1.396 -22.388 1.00 55.25 H new ATOM 595 N CYS A 40 23.644 0.632 -32.000 1.00 53.10 N ATOM 596 CA CYS A 40 23.023 1.352 -33.107 1.00 24.32 C ATOM 597 C CYS A 40 23.712 1.018 -34.426 1.00 42.31 C ATOM 598 O CYS A 40 23.076 0.549 -35.369 1.00 44.21 O ATOM 599 CB CYS A 40 23.077 2.859 -32.856 1.00 41.41 C ATOM 600 SG CYS A 40 21.465 3.676 -32.920 1.00 43.22 S ATOM 0 H CYS A 40 24.475 0.099 -32.256 1.00 53.10 H new ATOM 0 HA CYS A 40 21.981 1.040 -33.173 1.00 24.32 H new ATOM 0 HB2 CYS A 40 23.525 3.038 -31.878 1.00 41.41 H new ATOM 0 HB3 CYS A 40 23.734 3.316 -33.596 1.00 41.41 H new ATOM 0 HG CYS A 40 21.614 4.947 -32.693 1.00 43.22 H new ATOM 606 N GLY A 41 25.017 1.266 -34.486 1.00 24.24 N ATOM 607 CA GLY A 41 25.771 0.988 -35.694 1.00 72.33 C ATOM 608 C GLY A 41 26.135 -0.478 -35.826 1.00 3.30 C ATOM 609 O GLY A 41 25.614 -1.195 -36.681 1.00 4.34 O ATOM 0 H GLY A 41 25.565 1.655 -33.719 1.00 24.24 H new ATOM 0 HA2 GLY A 41 25.187 1.294 -36.562 1.00 72.33 H new ATOM 0 HA3 GLY A 41 26.682 1.587 -35.696 1.00 72.33 H new ATOM 613 N PRO A 42 27.052 -0.943 -34.965 1.00 24.11 N ATOM 614 CA PRO A 42 27.508 -2.337 -34.970 1.00 14.43 C ATOM 615 C PRO A 42 26.427 -3.301 -34.492 1.00 42.12 C ATOM 616 O PRO A 42 26.219 -4.359 -35.087 1.00 63.03 O ATOM 617 CB PRO A 42 28.686 -2.328 -33.993 1.00 63.02 C ATOM 618 CG PRO A 42 28.416 -1.179 -33.084 1.00 25.43 C ATOM 619 CD PRO A 42 27.715 -0.145 -33.920 1.00 3.10 C ATOM 0 HA PRO A 42 27.770 -2.677 -35.972 1.00 14.43 H new ATOM 0 HB2 PRO A 42 28.748 -3.265 -33.439 1.00 63.02 H new ATOM 0 HB3 PRO A 42 29.634 -2.204 -34.517 1.00 63.02 H new ATOM 0 HG2 PRO A 42 27.796 -1.485 -32.242 1.00 25.43 H new ATOM 0 HG3 PRO A 42 29.343 -0.783 -32.670 1.00 25.43 H new ATOM 0 HD2 PRO A 42 26.995 0.426 -33.333 1.00 3.10 H new ATOM 0 HD3 PRO A 42 28.418 0.571 -34.346 1.00 3.10 H new ATOM 627 N CYS A 43 25.742 -2.929 -33.416 1.00 65.14 N ATOM 628 CA CYS A 43 24.683 -3.762 -32.859 1.00 31.11 C ATOM 629 C CYS A 43 23.675 -4.152 -33.935 1.00 13.11 C ATOM 630 O CYS A 43 23.122 -5.252 -33.915 1.00 25.13 O ATOM 631 CB CYS A 43 23.974 -3.027 -31.720 1.00 74.35 C ATOM 632 SG CYS A 43 22.715 -4.014 -30.876 1.00 42.51 S ATOM 0 H CYS A 43 25.901 -2.056 -32.912 1.00 65.14 H new ATOM 0 HA CYS A 43 25.138 -4.672 -32.467 1.00 31.11 H new ATOM 0 HB2 CYS A 43 24.718 -2.706 -30.991 1.00 74.35 H new ATOM 0 HB3 CYS A 43 23.508 -2.126 -32.118 1.00 74.35 H new ATOM 0 HG CYS A 43 22.292 -4.950 -31.672 1.00 42.51 H new ATOM 638 N LYS A 44 23.438 -3.242 -34.874 1.00 15.25 N ATOM 639 CA LYS A 44 22.495 -3.489 -35.959 1.00 4.34 C ATOM 640 C LYS A 44 22.980 -4.627 -36.851 1.00 53.33 C ATOM 641 O LYS A 44 22.179 -5.397 -37.380 1.00 53.45 O ATOM 642 CB LYS A 44 22.302 -2.220 -36.792 1.00 13.21 C ATOM 643 CG LYS A 44 22.519 -2.431 -38.280 1.00 54.54 C ATOM 644 CD LYS A 44 22.181 -1.181 -39.076 1.00 13.44 C ATOM 645 CE LYS A 44 23.406 -0.623 -39.784 1.00 54.31 C ATOM 646 NZ LYS A 44 23.150 0.730 -40.352 1.00 73.22 N ATOM 0 H LYS A 44 23.886 -2.326 -34.906 1.00 15.25 H new ATOM 0 HA LYS A 44 21.540 -3.777 -35.520 1.00 4.34 H new ATOM 0 HB2 LYS A 44 21.293 -1.839 -36.631 1.00 13.21 H new ATOM 0 HB3 LYS A 44 22.992 -1.454 -36.438 1.00 13.21 H new ATOM 0 HG2 LYS A 44 23.557 -2.709 -38.461 1.00 54.54 H new ATOM 0 HG3 LYS A 44 21.902 -3.261 -38.625 1.00 54.54 H new ATOM 0 HD2 LYS A 44 21.410 -1.413 -39.810 1.00 13.44 H new ATOM 0 HD3 LYS A 44 21.769 -0.424 -38.409 1.00 13.44 H new ATOM 0 HE2 LYS A 44 24.239 -0.571 -39.082 1.00 54.31 H new ATOM 0 HE3 LYS A 44 23.704 -1.302 -40.583 1.00 54.31 H new ATOM 0 HZ1 LYS A 44 24.009 1.076 -40.826 1.00 73.22 H new ATOM 0 HZ2 LYS A 44 22.372 0.676 -41.040 1.00 73.22 H new ATOM 0 HZ3 LYS A 44 22.890 1.384 -39.587 1.00 73.22 H new ATOM 660 N MET A 45 24.295 -4.727 -37.013 1.00 20.42 N ATOM 661 CA MET A 45 24.885 -5.774 -37.840 1.00 2.25 C ATOM 662 C MET A 45 25.072 -7.059 -37.039 1.00 14.30 C ATOM 663 O MET A 45 24.869 -8.158 -37.555 1.00 21.13 O ATOM 664 CB MET A 45 26.230 -5.311 -38.403 1.00 40.50 C ATOM 665 CG MET A 45 26.162 -3.967 -39.111 1.00 30.02 C ATOM 666 SD MET A 45 27.482 -3.751 -40.320 1.00 71.51 S ATOM 667 CE MET A 45 26.806 -2.434 -41.327 1.00 42.45 C ATOM 0 H MET A 45 24.972 -4.097 -36.583 1.00 20.42 H new ATOM 0 HA MET A 45 24.203 -5.977 -38.666 1.00 2.25 H new ATOM 0 HB2 MET A 45 26.953 -5.248 -37.590 1.00 40.50 H new ATOM 0 HB3 MET A 45 26.600 -6.062 -39.101 1.00 40.50 H new ATOM 0 HG2 MET A 45 25.198 -3.872 -39.611 1.00 30.02 H new ATOM 0 HG3 MET A 45 26.218 -3.168 -38.372 1.00 30.02 H new ATOM 0 HE1 MET A 45 27.509 -2.186 -42.122 1.00 42.45 H new ATOM 0 HE2 MET A 45 25.862 -2.759 -41.765 1.00 42.45 H new ATOM 0 HE3 MET A 45 26.634 -1.554 -40.707 1.00 42.45 H new ATOM 677 N VAL A 46 25.459 -6.913 -35.776 1.00 0.12 N ATOM 678 CA VAL A 46 25.672 -8.062 -34.904 1.00 31.01 C ATOM 679 C VAL A 46 24.421 -8.374 -34.090 1.00 40.51 C ATOM 680 O VAL A 46 24.493 -9.020 -33.045 1.00 50.32 O ATOM 681 CB VAL A 46 26.851 -7.826 -33.942 1.00 4.31 C ATOM 682 CG1 VAL A 46 27.346 -9.145 -33.369 1.00 62.24 C ATOM 683 CG2 VAL A 46 27.977 -7.087 -34.651 1.00 33.23 C ATOM 0 H VAL A 46 25.631 -6.010 -35.334 1.00 0.12 H new ATOM 0 HA VAL A 46 25.903 -8.910 -35.549 1.00 31.01 H new ATOM 0 HB VAL A 46 26.504 -7.206 -33.115 1.00 4.31 H new ATOM 0 HG11 VAL A 46 28.179 -8.958 -32.692 1.00 62.24 H new ATOM 0 HG12 VAL A 46 26.537 -9.631 -32.824 1.00 62.24 H new ATOM 0 HG13 VAL A 46 27.677 -9.793 -34.181 1.00 62.24 H new ATOM 0 HG21 VAL A 46 28.802 -6.929 -33.957 1.00 33.23 H new ATOM 0 HG22 VAL A 46 28.324 -7.679 -35.498 1.00 33.23 H new ATOM 0 HG23 VAL A 46 27.612 -6.123 -35.007 1.00 33.23 H new ATOM 693 N ALA A 47 23.275 -7.910 -34.577 1.00 15.24 N ATOM 694 CA ALA A 47 22.007 -8.141 -33.896 1.00 34.12 C ATOM 695 C ALA A 47 21.509 -9.563 -34.130 1.00 22.41 C ATOM 696 O ALA A 47 21.338 -10.348 -33.197 1.00 70.40 O ATOM 697 CB ALA A 47 20.966 -7.133 -34.361 1.00 3.23 C ATOM 0 H ALA A 47 23.199 -7.372 -35.440 1.00 15.24 H new ATOM 0 HA ALA A 47 22.170 -8.012 -32.826 1.00 34.12 H new ATOM 0 HB1 ALA A 47 20.024 -7.318 -33.844 1.00 3.23 H new ATOM 0 HB2 ALA A 47 21.311 -6.124 -34.137 1.00 3.23 H new ATOM 0 HB3 ALA A 47 20.816 -7.235 -35.436 1.00 3.23 H new ATOM 703 N PRO A 48 21.270 -9.905 -35.405 1.00 22.32 N ATOM 704 CA PRO A 48 20.789 -11.235 -35.791 1.00 13.11 C ATOM 705 C PRO A 48 21.848 -12.314 -35.597 1.00 65.04 C ATOM 706 O PRO A 48 21.586 -13.356 -34.997 1.00 15.03 O ATOM 707 CB PRO A 48 20.455 -11.074 -37.276 1.00 15.31 C ATOM 708 CG PRO A 48 21.320 -9.953 -37.739 1.00 72.04 C ATOM 709 CD PRO A 48 21.452 -9.020 -36.567 1.00 64.25 C ATOM 0 HA PRO A 48 19.944 -11.555 -35.182 1.00 13.11 H new ATOM 0 HB2 PRO A 48 20.663 -11.989 -37.830 1.00 15.31 H new ATOM 0 HB3 PRO A 48 19.399 -10.846 -37.422 1.00 15.31 H new ATOM 0 HG2 PRO A 48 22.296 -10.319 -38.058 1.00 72.04 H new ATOM 0 HG3 PRO A 48 20.875 -9.445 -38.594 1.00 72.04 H new ATOM 0 HD2 PRO A 48 22.426 -8.530 -36.551 1.00 64.25 H new ATOM 0 HD3 PRO A 48 20.699 -8.232 -36.594 1.00 64.25 H new ATOM 717 N VAL A 49 23.048 -12.058 -36.110 1.00 11.32 N ATOM 718 CA VAL A 49 24.148 -13.007 -35.992 1.00 4.11 C ATOM 719 C VAL A 49 24.328 -13.463 -34.548 1.00 61.34 C ATOM 720 O VAL A 49 24.763 -14.587 -34.290 1.00 51.43 O ATOM 721 CB VAL A 49 25.471 -12.398 -36.495 1.00 31.23 C ATOM 722 CG1 VAL A 49 25.273 -11.735 -37.849 1.00 53.11 C ATOM 723 CG2 VAL A 49 26.020 -11.406 -35.481 1.00 15.41 C ATOM 0 H VAL A 49 23.282 -11.201 -36.611 1.00 11.32 H new ATOM 0 HA VAL A 49 23.893 -13.866 -36.612 1.00 4.11 H new ATOM 0 HB VAL A 49 26.199 -13.201 -36.614 1.00 31.23 H new ATOM 0 HG11 VAL A 49 26.218 -11.311 -38.188 1.00 53.11 H new ATOM 0 HG12 VAL A 49 24.929 -12.476 -38.570 1.00 53.11 H new ATOM 0 HG13 VAL A 49 24.530 -10.942 -37.761 1.00 53.11 H new ATOM 0 HG21 VAL A 49 26.955 -10.986 -35.852 1.00 15.41 H new ATOM 0 HG22 VAL A 49 25.297 -10.605 -35.328 1.00 15.41 H new ATOM 0 HG23 VAL A 49 26.202 -11.916 -34.535 1.00 15.41 H new ATOM 733 N LEU A 50 23.991 -12.586 -33.610 1.00 55.20 N ATOM 734 CA LEU A 50 24.114 -12.898 -32.190 1.00 72.24 C ATOM 735 C LEU A 50 22.890 -13.660 -31.692 1.00 70.33 C ATOM 736 O LEU A 50 23.009 -14.592 -30.897 1.00 51.22 O ATOM 737 CB LEU A 50 24.294 -11.614 -31.379 1.00 50.01 C ATOM 738 CG LEU A 50 24.833 -11.787 -29.959 1.00 32.43 C ATOM 739 CD1 LEU A 50 25.613 -10.554 -29.529 1.00 72.44 C ATOM 740 CD2 LEU A 50 23.695 -12.066 -28.987 1.00 63.21 C ATOM 0 H LEU A 50 23.630 -11.652 -33.807 1.00 55.20 H new ATOM 0 HA LEU A 50 24.992 -13.530 -32.057 1.00 72.24 H new ATOM 0 HB2 LEU A 50 24.969 -10.955 -31.925 1.00 50.01 H new ATOM 0 HB3 LEU A 50 23.331 -11.107 -31.321 1.00 50.01 H new ATOM 0 HG LEU A 50 25.510 -12.641 -29.950 1.00 32.43 H new ATOM 0 HD11 LEU A 50 25.989 -10.696 -28.516 1.00 72.44 H new ATOM 0 HD12 LEU A 50 26.451 -10.399 -30.208 1.00 72.44 H new ATOM 0 HD13 LEU A 50 24.959 -9.682 -29.555 1.00 72.44 H new ATOM 0 HD21 LEU A 50 24.097 -12.186 -27.981 1.00 63.21 H new ATOM 0 HD22 LEU A 50 22.993 -11.232 -29.000 1.00 63.21 H new ATOM 0 HD23 LEU A 50 23.179 -12.979 -29.283 1.00 63.21 H new ATOM 752 N GLU A 51 21.715 -13.259 -32.168 1.00 1.24 N ATOM 753 CA GLU A 51 20.470 -13.906 -31.771 1.00 11.41 C ATOM 754 C GLU A 51 20.468 -15.377 -32.177 1.00 55.40 C ATOM 755 O GLU A 51 19.931 -16.226 -31.466 1.00 40.24 O ATOM 756 CB GLU A 51 19.274 -13.189 -32.401 1.00 72.23 C ATOM 757 CG GLU A 51 18.735 -12.047 -31.557 1.00 15.20 C ATOM 758 CD GLU A 51 17.782 -11.152 -32.326 1.00 34.50 C ATOM 759 OE1 GLU A 51 17.186 -10.247 -31.706 1.00 2.20 O ATOM 760 OE2 GLU A 51 17.632 -11.359 -33.549 1.00 13.34 O ATOM 0 H GLU A 51 21.599 -12.490 -32.828 1.00 1.24 H new ATOM 0 HA GLU A 51 20.389 -13.847 -30.686 1.00 11.41 H new ATOM 0 HB2 GLU A 51 19.566 -12.802 -33.377 1.00 72.23 H new ATOM 0 HB3 GLU A 51 18.476 -13.912 -32.571 1.00 72.23 H new ATOM 0 HG2 GLU A 51 18.222 -12.455 -30.686 1.00 15.20 H new ATOM 0 HG3 GLU A 51 19.568 -11.450 -31.186 1.00 15.20 H new ATOM 767 N GLU A 52 21.071 -15.668 -33.325 1.00 72.51 N ATOM 768 CA GLU A 52 21.137 -17.036 -33.826 1.00 72.24 C ATOM 769 C GLU A 52 21.758 -17.967 -32.789 1.00 4.41 C ATOM 770 O GLU A 52 21.125 -18.920 -32.336 1.00 74.44 O ATOM 771 CB GLU A 52 21.945 -17.089 -35.124 1.00 45.23 C ATOM 772 CG GLU A 52 21.169 -16.624 -36.345 1.00 12.03 C ATOM 773 CD GLU A 52 20.036 -17.564 -36.708 1.00 70.12 C ATOM 774 OE1 GLU A 52 20.243 -18.436 -37.578 1.00 4.31 O ATOM 775 OE2 GLU A 52 18.942 -17.428 -36.122 1.00 55.21 O ATOM 0 H GLU A 52 21.520 -14.976 -33.925 1.00 72.51 H new ATOM 0 HA GLU A 52 20.119 -17.371 -34.026 1.00 72.24 H new ATOM 0 HB2 GLU A 52 22.836 -16.470 -35.013 1.00 45.23 H new ATOM 0 HB3 GLU A 52 22.286 -18.111 -35.288 1.00 45.23 H new ATOM 0 HG2 GLU A 52 20.765 -15.629 -36.157 1.00 12.03 H new ATOM 0 HG3 GLU A 52 21.849 -16.537 -37.192 1.00 12.03 H new ATOM 782 N ILE A 53 23.002 -17.682 -32.417 1.00 60.05 N ATOM 783 CA ILE A 53 23.709 -18.492 -31.434 1.00 22.24 C ATOM 784 C ILE A 53 22.874 -18.677 -30.171 1.00 4.41 C ATOM 785 O ILE A 53 22.871 -19.749 -29.568 1.00 31.31 O ATOM 786 CB ILE A 53 25.062 -17.862 -31.053 1.00 63.44 C ATOM 787 CG1 ILE A 53 25.905 -17.616 -32.307 1.00 13.34 C ATOM 788 CG2 ILE A 53 25.808 -18.758 -30.076 1.00 35.55 C ATOM 789 CD1 ILE A 53 26.349 -16.178 -32.463 1.00 32.11 C ATOM 0 H ILE A 53 23.540 -16.896 -32.782 1.00 60.05 H new ATOM 0 HA ILE A 53 23.887 -19.463 -31.895 1.00 22.24 H new ATOM 0 HB ILE A 53 24.876 -16.904 -30.568 1.00 63.44 H new ATOM 0 HG12 ILE A 53 26.785 -18.258 -32.275 1.00 13.34 H new ATOM 0 HG13 ILE A 53 25.329 -17.907 -33.185 1.00 13.34 H new ATOM 0 HG21 ILE A 53 26.762 -18.299 -29.817 1.00 35.55 H new ATOM 0 HG22 ILE A 53 25.211 -18.889 -29.173 1.00 35.55 H new ATOM 0 HG23 ILE A 53 25.986 -19.730 -30.537 1.00 35.55 H new ATOM 0 HD11 ILE A 53 26.942 -16.077 -33.372 1.00 32.11 H new ATOM 0 HD12 ILE A 53 25.474 -15.532 -32.527 1.00 32.11 H new ATOM 0 HD13 ILE A 53 26.952 -15.888 -31.603 1.00 32.11 H new ATOM 801 N ALA A 54 22.166 -17.623 -29.777 1.00 61.15 N ATOM 802 CA ALA A 54 21.324 -17.670 -28.589 1.00 13.32 C ATOM 803 C ALA A 54 20.130 -18.595 -28.798 1.00 55.51 C ATOM 804 O ALA A 54 19.780 -19.381 -27.919 1.00 11.31 O ATOM 805 CB ALA A 54 20.852 -16.271 -28.221 1.00 2.41 C ATOM 0 H ALA A 54 22.159 -16.727 -30.264 1.00 61.15 H new ATOM 0 HA ALA A 54 21.920 -18.069 -27.768 1.00 13.32 H new ATOM 0 HB1 ALA A 54 20.224 -16.321 -27.332 1.00 2.41 H new ATOM 0 HB2 ALA A 54 21.715 -15.637 -28.020 1.00 2.41 H new ATOM 0 HB3 ALA A 54 20.278 -15.852 -29.047 1.00 2.41 H new ATOM 894 N LEU A 61 20.166 -18.597 -20.765 1.00 45.32 N ATOM 895 CA LEU A 61 21.324 -17.713 -20.679 1.00 11.12 C ATOM 896 C LEU A 61 20.894 -16.249 -20.699 1.00 23.54 C ATOM 897 O LEU A 61 19.737 -15.934 -20.975 1.00 73.54 O ATOM 898 CB LEU A 61 22.288 -17.989 -21.834 1.00 3.24 C ATOM 899 CG LEU A 61 21.856 -17.474 -23.207 1.00 12.21 C ATOM 900 CD1 LEU A 61 20.390 -17.790 -23.458 1.00 14.20 C ATOM 901 CD2 LEU A 61 22.108 -15.977 -23.319 1.00 34.22 C ATOM 0 HA LEU A 61 21.832 -17.911 -19.735 1.00 11.12 H new ATOM 0 HB2 LEU A 61 23.253 -17.545 -21.589 1.00 3.24 H new ATOM 0 HB3 LEU A 61 22.441 -19.066 -21.904 1.00 3.24 H new ATOM 0 HG LEU A 61 22.451 -17.980 -23.967 1.00 12.21 H new ATOM 0 HD11 LEU A 61 20.100 -17.416 -24.440 1.00 14.20 H new ATOM 0 HD12 LEU A 61 20.239 -18.869 -23.421 1.00 14.20 H new ATOM 0 HD13 LEU A 61 19.779 -17.312 -22.693 1.00 14.20 H new ATOM 0 HD21 LEU A 61 21.795 -15.628 -24.303 1.00 34.22 H new ATOM 0 HD22 LEU A 61 21.539 -15.454 -22.550 1.00 34.22 H new ATOM 0 HD23 LEU A 61 23.171 -15.776 -23.184 1.00 34.22 H new ATOM 913 N LYS A 62 21.835 -15.358 -20.405 1.00 71.12 N ATOM 914 CA LYS A 62 21.556 -13.927 -20.392 1.00 42.03 C ATOM 915 C LYS A 62 22.578 -13.166 -21.231 1.00 72.14 C ATOM 916 O LYS A 62 23.763 -13.498 -21.235 1.00 43.15 O ATOM 917 CB LYS A 62 21.564 -13.398 -18.956 1.00 42.24 C ATOM 918 CG LYS A 62 20.760 -12.122 -18.774 1.00 31.43 C ATOM 919 CD LYS A 62 20.798 -11.641 -17.333 1.00 40.41 C ATOM 920 CE LYS A 62 19.670 -12.248 -16.512 1.00 45.33 C ATOM 921 NZ LYS A 62 20.064 -13.550 -15.907 1.00 61.11 N ATOM 0 H LYS A 62 22.798 -15.602 -20.172 1.00 71.12 H new ATOM 0 HA LYS A 62 20.568 -13.771 -20.825 1.00 42.03 H new ATOM 0 HB2 LYS A 62 21.166 -14.166 -18.292 1.00 42.24 H new ATOM 0 HB3 LYS A 62 22.594 -13.215 -18.651 1.00 42.24 H new ATOM 0 HG2 LYS A 62 21.155 -11.345 -19.429 1.00 31.43 H new ATOM 0 HG3 LYS A 62 19.727 -12.296 -19.074 1.00 31.43 H new ATOM 0 HD2 LYS A 62 21.757 -11.904 -16.886 1.00 40.41 H new ATOM 0 HD3 LYS A 62 20.722 -10.554 -17.309 1.00 40.41 H new ATOM 0 HE2 LYS A 62 19.380 -11.554 -15.723 1.00 45.33 H new ATOM 0 HE3 LYS A 62 18.796 -12.392 -17.147 1.00 45.33 H new ATOM 0 HZ1 LYS A 62 19.526 -13.702 -15.030 1.00 61.11 H new ATOM 0 HZ2 LYS A 62 19.860 -14.320 -16.576 1.00 61.11 H new ATOM 0 HZ3 LYS A 62 21.081 -13.539 -15.692 1.00 61.11 H new ATOM 935 N VAL A 63 22.111 -12.143 -21.940 1.00 73.12 N ATOM 936 CA VAL A 63 22.984 -11.333 -22.781 1.00 24.40 C ATOM 937 C VAL A 63 23.090 -9.908 -22.252 1.00 14.44 C ATOM 938 O VAL A 63 22.116 -9.156 -22.266 1.00 55.33 O ATOM 939 CB VAL A 63 22.483 -11.293 -24.237 1.00 33.13 C ATOM 940 CG1 VAL A 63 23.502 -10.608 -25.134 1.00 62.52 C ATOM 941 CG2 VAL A 63 22.180 -12.698 -24.735 1.00 22.34 C ATOM 0 H VAL A 63 21.132 -11.856 -21.949 1.00 73.12 H new ATOM 0 HA VAL A 63 23.968 -11.800 -22.757 1.00 24.40 H new ATOM 0 HB VAL A 63 21.560 -10.714 -24.269 1.00 33.13 H new ATOM 0 HG11 VAL A 63 23.130 -10.589 -26.159 1.00 62.52 H new ATOM 0 HG12 VAL A 63 23.663 -9.587 -24.788 1.00 62.52 H new ATOM 0 HG13 VAL A 63 24.444 -11.156 -25.099 1.00 62.52 H new ATOM 0 HG21 VAL A 63 21.827 -12.651 -25.765 1.00 22.34 H new ATOM 0 HG22 VAL A 63 23.085 -13.303 -24.689 1.00 22.34 H new ATOM 0 HG23 VAL A 63 21.410 -13.148 -24.108 1.00 22.34 H new ATOM 951 N ALA A 64 24.279 -9.542 -21.784 1.00 71.04 N ATOM 952 CA ALA A 64 24.513 -8.205 -21.252 1.00 74.34 C ATOM 953 C ALA A 64 25.322 -7.359 -22.229 1.00 62.44 C ATOM 954 O ALA A 64 26.170 -7.875 -22.959 1.00 12.33 O ATOM 955 CB ALA A 64 25.223 -8.288 -19.909 1.00 73.53 C ATOM 0 H ALA A 64 25.095 -10.153 -21.763 1.00 71.04 H new ATOM 0 HA ALA A 64 23.546 -7.723 -21.110 1.00 74.34 H new ATOM 0 HB1 ALA A 64 25.391 -7.282 -19.524 1.00 73.53 H new ATOM 0 HB2 ALA A 64 24.607 -8.848 -19.206 1.00 73.53 H new ATOM 0 HB3 ALA A 64 26.181 -8.793 -20.034 1.00 73.53 H new ATOM 961 N LYS A 65 25.055 -6.058 -22.240 1.00 3.22 N ATOM 962 CA LYS A 65 25.759 -5.139 -23.127 1.00 20.13 C ATOM 963 C LYS A 65 26.087 -3.834 -22.409 1.00 2.12 C ATOM 964 O LYS A 65 25.433 -3.470 -21.431 1.00 21.04 O ATOM 965 CB LYS A 65 24.915 -4.851 -24.370 1.00 72.13 C ATOM 966 CG LYS A 65 23.427 -4.745 -24.084 1.00 51.02 C ATOM 967 CD LYS A 65 22.710 -6.055 -24.364 1.00 24.54 C ATOM 968 CE LYS A 65 22.334 -6.183 -25.832 1.00 24.01 C ATOM 969 NZ LYS A 65 21.090 -6.979 -26.019 1.00 20.54 N ATOM 0 H LYS A 65 24.355 -5.615 -21.644 1.00 3.22 H new ATOM 0 HA LYS A 65 26.693 -5.611 -23.431 1.00 20.13 H new ATOM 0 HB2 LYS A 65 25.257 -3.920 -24.823 1.00 72.13 H new ATOM 0 HB3 LYS A 65 25.080 -5.641 -25.102 1.00 72.13 H new ATOM 0 HG2 LYS A 65 23.275 -4.462 -23.042 1.00 51.02 H new ATOM 0 HG3 LYS A 65 22.994 -3.954 -24.696 1.00 51.02 H new ATOM 0 HD2 LYS A 65 23.350 -6.890 -24.077 1.00 24.54 H new ATOM 0 HD3 LYS A 65 21.811 -6.117 -23.751 1.00 24.54 H new ATOM 0 HE2 LYS A 65 22.197 -5.190 -26.260 1.00 24.01 H new ATOM 0 HE3 LYS A 65 23.152 -6.655 -26.377 1.00 24.01 H new ATOM 0 HZ1 LYS A 65 20.868 -7.043 -27.033 1.00 20.54 H new ATOM 0 HZ2 LYS A 65 21.228 -7.935 -25.634 1.00 20.54 H new ATOM 0 HZ3 LYS A 65 20.303 -6.516 -25.521 1.00 20.54 H new ATOM 983 N LEU A 66 27.102 -3.133 -22.901 1.00 4.51 N ATOM 984 CA LEU A 66 27.516 -1.866 -22.307 1.00 65.00 C ATOM 985 C LEU A 66 27.986 -0.889 -23.380 1.00 62.22 C ATOM 986 O LEU A 66 28.701 -1.268 -24.308 1.00 42.32 O ATOM 987 CB LEU A 66 28.634 -2.099 -21.289 1.00 0.22 C ATOM 988 CG LEU A 66 29.439 -0.864 -20.882 1.00 65.32 C ATOM 989 CD1 LEU A 66 29.527 -0.759 -19.368 1.00 11.14 C ATOM 990 CD2 LEU A 66 30.831 -0.909 -21.497 1.00 31.22 C ATOM 0 H LEU A 66 27.654 -3.420 -23.709 1.00 4.51 H new ATOM 0 HA LEU A 66 26.654 -1.432 -21.799 1.00 65.00 H new ATOM 0 HB2 LEU A 66 28.196 -2.534 -20.391 1.00 0.22 H new ATOM 0 HB3 LEU A 66 29.323 -2.838 -21.698 1.00 0.22 H new ATOM 0 HG LEU A 66 28.925 0.021 -21.257 1.00 65.32 H new ATOM 0 HD11 LEU A 66 30.103 0.126 -19.098 1.00 11.14 H new ATOM 0 HD12 LEU A 66 28.524 -0.680 -18.950 1.00 11.14 H new ATOM 0 HD13 LEU A 66 30.017 -1.647 -18.970 1.00 11.14 H new ATOM 0 HD21 LEU A 66 31.390 -0.023 -21.197 1.00 31.22 H new ATOM 0 HD22 LEU A 66 31.353 -1.801 -21.151 1.00 31.22 H new ATOM 0 HD23 LEU A 66 30.748 -0.935 -22.584 1.00 31.22 H new ATOM 1002 N ASP A 67 27.581 0.369 -23.246 1.00 23.14 N ATOM 1003 CA ASP A 67 27.963 1.401 -24.202 1.00 4.51 C ATOM 1004 C ASP A 67 29.361 1.932 -23.899 1.00 0.41 C ATOM 1005 O ASP A 67 29.562 2.666 -22.930 1.00 73.55 O ATOM 1006 CB ASP A 67 26.952 2.549 -24.177 1.00 61.32 C ATOM 1007 CG ASP A 67 25.539 2.069 -23.911 1.00 52.04 C ATOM 1008 OD1 ASP A 67 24.800 2.770 -23.188 1.00 23.34 O ATOM 1009 OD2 ASP A 67 25.171 0.993 -24.428 1.00 12.42 O ATOM 0 H ASP A 67 26.988 0.699 -22.484 1.00 23.14 H new ATOM 0 HA ASP A 67 27.971 0.955 -25.197 1.00 4.51 H new ATOM 0 HB2 ASP A 67 27.240 3.266 -23.408 1.00 61.32 H new ATOM 0 HB3 ASP A 67 26.980 3.075 -25.131 1.00 61.32 H new ATOM 1014 N VAL A 68 30.325 1.556 -24.733 1.00 42.21 N ATOM 1015 CA VAL A 68 31.704 1.994 -24.555 1.00 4.22 C ATOM 1016 C VAL A 68 31.796 3.515 -24.503 1.00 53.12 C ATOM 1017 O VAL A 68 32.566 4.075 -23.723 1.00 62.11 O ATOM 1018 CB VAL A 68 32.609 1.475 -25.688 1.00 22.21 C ATOM 1019 CG1 VAL A 68 33.997 2.088 -25.587 1.00 3.32 C ATOM 1020 CG2 VAL A 68 32.685 -0.044 -25.655 1.00 31.23 C ATOM 0 H VAL A 68 30.176 0.949 -25.539 1.00 42.21 H new ATOM 0 HA VAL A 68 32.047 1.579 -23.607 1.00 4.22 H new ATOM 0 HB VAL A 68 32.175 1.774 -26.642 1.00 22.21 H new ATOM 0 HG11 VAL A 68 34.622 1.709 -26.396 1.00 3.32 H new ATOM 0 HG12 VAL A 68 33.922 3.173 -25.664 1.00 3.32 H new ATOM 0 HG13 VAL A 68 34.443 1.822 -24.629 1.00 3.32 H new ATOM 0 HG21 VAL A 68 33.328 -0.394 -26.462 1.00 31.23 H new ATOM 0 HG22 VAL A 68 33.095 -0.367 -24.698 1.00 31.23 H new ATOM 0 HG23 VAL A 68 31.686 -0.461 -25.781 1.00 31.23 H new ATOM 1030 N ASP A 69 31.004 4.178 -25.339 1.00 0.43 N ATOM 1031 CA ASP A 69 30.994 5.636 -25.388 1.00 33.23 C ATOM 1032 C ASP A 69 30.744 6.224 -24.003 1.00 11.34 C ATOM 1033 O ASP A 69 31.299 7.265 -23.650 1.00 72.32 O ATOM 1034 CB ASP A 69 29.924 6.127 -26.365 1.00 3.04 C ATOM 1035 CG ASP A 69 30.517 6.639 -27.663 1.00 22.04 C ATOM 1036 OD1 ASP A 69 30.383 7.849 -27.940 1.00 53.41 O ATOM 1037 OD2 ASP A 69 31.117 5.830 -28.401 1.00 35.54 O ATOM 0 H ASP A 69 30.361 3.729 -25.992 1.00 0.43 H new ATOM 0 HA ASP A 69 31.972 5.971 -25.734 1.00 33.23 H new ATOM 0 HB2 ASP A 69 29.232 5.313 -26.581 1.00 3.04 H new ATOM 0 HB3 ASP A 69 29.344 6.922 -25.895 1.00 3.04 H new ATOM 1042 N ALA A 70 29.904 5.552 -23.222 1.00 64.21 N ATOM 1043 CA ALA A 70 29.582 6.007 -21.876 1.00 12.53 C ATOM 1044 C ALA A 70 30.535 5.405 -20.849 1.00 40.11 C ATOM 1045 O ALA A 70 30.895 6.053 -19.867 1.00 74.01 O ATOM 1046 CB ALA A 70 28.142 5.657 -21.531 1.00 12.41 C ATOM 0 H ALA A 70 29.434 4.690 -23.499 1.00 64.21 H new ATOM 0 HA ALA A 70 29.698 7.090 -21.849 1.00 12.53 H new ATOM 0 HB1 ALA A 70 27.915 6.003 -20.523 1.00 12.41 H new ATOM 0 HB2 ALA A 70 27.470 6.141 -22.240 1.00 12.41 H new ATOM 0 HB3 ALA A 70 28.008 4.577 -21.583 1.00 12.41 H new ATOM 1052 N ASN A 71 30.940 4.161 -21.083 1.00 60.00 N ATOM 1053 CA ASN A 71 31.851 3.471 -20.177 1.00 70.32 C ATOM 1054 C ASN A 71 33.157 3.118 -20.883 1.00 53.01 C ATOM 1055 O ASN A 71 33.466 1.951 -21.123 1.00 22.34 O ATOM 1056 CB ASN A 71 31.195 2.201 -19.630 1.00 51.33 C ATOM 1057 CG ASN A 71 29.732 2.408 -19.289 1.00 31.25 C ATOM 1058 OD1 ASN A 71 29.382 2.660 -18.135 1.00 71.44 O ATOM 1059 ND2 ASN A 71 28.869 2.302 -20.293 1.00 23.45 N ATOM 0 H ASN A 71 30.652 3.610 -21.892 1.00 60.00 H new ATOM 0 HA ASN A 71 32.076 4.142 -19.348 1.00 70.32 H new ATOM 0 HB2 ASN A 71 31.284 1.403 -20.367 1.00 51.33 H new ATOM 0 HB3 ASN A 71 31.730 1.873 -18.739 1.00 51.33 H new ATOM 0 HD21 ASN A 71 27.871 2.431 -20.124 1.00 23.45 H new ATOM 0 HD22 ASN A 71 29.204 2.092 -21.233 1.00 23.45 H new ATOM 1066 N PRO A 72 33.942 4.150 -21.224 1.00 43.24 N ATOM 1067 CA PRO A 72 35.228 3.975 -21.907 1.00 31.15 C ATOM 1068 C PRO A 72 36.282 3.344 -21.003 1.00 42.22 C ATOM 1069 O PRO A 72 37.139 2.592 -21.466 1.00 40.23 O ATOM 1070 CB PRO A 72 35.629 5.404 -22.280 1.00 3.12 C ATOM 1071 CG PRO A 72 34.930 6.266 -21.285 1.00 65.35 C ATOM 1072 CD PRO A 72 33.636 5.568 -20.970 1.00 3.00 C ATOM 0 HA PRO A 72 35.148 3.304 -22.762 1.00 31.15 H new ATOM 0 HB2 PRO A 72 36.710 5.538 -22.230 1.00 3.12 H new ATOM 0 HB3 PRO A 72 35.325 5.648 -23.298 1.00 3.12 H new ATOM 0 HG2 PRO A 72 35.534 6.393 -20.386 1.00 65.35 H new ATOM 0 HG3 PRO A 72 34.748 7.261 -21.690 1.00 65.35 H new ATOM 0 HD2 PRO A 72 33.331 5.734 -19.937 1.00 3.00 H new ATOM 0 HD3 PRO A 72 32.823 5.923 -21.603 1.00 3.00 H new ATOM 1080 N GLU A 73 36.212 3.656 -19.713 1.00 23.33 N ATOM 1081 CA GLU A 73 37.162 3.119 -18.745 1.00 62.45 C ATOM 1082 C GLU A 73 37.060 1.598 -18.669 1.00 72.11 C ATOM 1083 O GLU A 73 38.064 0.905 -18.509 1.00 1.02 O ATOM 1084 CB GLU A 73 36.916 3.727 -17.363 1.00 52.34 C ATOM 1085 CG GLU A 73 35.532 3.436 -16.808 1.00 11.10 C ATOM 1086 CD GLU A 73 35.244 4.199 -15.529 1.00 61.23 C ATOM 1087 OE1 GLU A 73 35.657 5.374 -15.435 1.00 32.25 O ATOM 1088 OE2 GLU A 73 34.607 3.621 -14.624 1.00 11.30 O ATOM 0 H GLU A 73 35.508 4.277 -19.314 1.00 23.33 H new ATOM 0 HA GLU A 73 38.166 3.383 -19.076 1.00 62.45 H new ATOM 0 HB2 GLU A 73 37.664 3.345 -16.669 1.00 52.34 H new ATOM 0 HB3 GLU A 73 37.056 4.806 -17.420 1.00 52.34 H new ATOM 0 HG2 GLU A 73 34.783 3.693 -17.557 1.00 11.10 H new ATOM 0 HG3 GLU A 73 35.438 2.367 -16.618 1.00 11.10 H new ATOM 1095 N ALA A 74 35.839 1.086 -18.785 1.00 13.43 N ATOM 1096 CA ALA A 74 35.604 -0.351 -18.730 1.00 63.24 C ATOM 1097 C ALA A 74 36.275 -1.061 -19.901 1.00 63.41 C ATOM 1098 O ALA A 74 36.759 -2.185 -19.763 1.00 50.52 O ATOM 1099 CB ALA A 74 34.111 -0.642 -18.720 1.00 30.54 C ATOM 0 H ALA A 74 34.997 1.646 -18.918 1.00 13.43 H new ATOM 0 HA ALA A 74 36.043 -0.731 -17.808 1.00 63.24 H new ATOM 0 HB1 ALA A 74 33.951 -1.719 -18.679 1.00 30.54 H new ATOM 0 HB2 ALA A 74 33.655 -0.174 -17.848 1.00 30.54 H new ATOM 0 HB3 ALA A 74 33.656 -0.242 -19.626 1.00 30.54 H new ATOM 1105 N ALA A 75 36.300 -0.399 -21.053 1.00 63.32 N ATOM 1106 CA ALA A 75 36.913 -0.967 -22.248 1.00 22.25 C ATOM 1107 C ALA A 75 38.385 -1.288 -22.010 1.00 10.32 C ATOM 1108 O ALA A 75 38.781 -2.453 -21.991 1.00 31.22 O ATOM 1109 CB ALA A 75 36.762 -0.013 -23.423 1.00 10.00 C ATOM 0 H ALA A 75 35.903 0.531 -21.184 1.00 63.32 H new ATOM 0 HA ALA A 75 36.398 -1.899 -22.483 1.00 22.25 H new ATOM 0 HB1 ALA A 75 37.224 -0.450 -24.308 1.00 10.00 H new ATOM 0 HB2 ALA A 75 35.704 0.163 -23.615 1.00 10.00 H new ATOM 0 HB3 ALA A 75 37.250 0.933 -23.189 1.00 10.00 H new ATOM 1115 N ARG A 76 39.191 -0.246 -21.830 1.00 31.42 N ATOM 1116 CA ARG A 76 40.620 -0.418 -21.595 1.00 54.33 C ATOM 1117 C ARG A 76 40.869 -1.372 -20.431 1.00 70.22 C ATOM 1118 O ARG A 76 41.794 -2.184 -20.468 1.00 73.13 O ATOM 1119 CB ARG A 76 41.277 0.934 -21.310 1.00 70.13 C ATOM 1120 CG ARG A 76 40.475 1.814 -20.366 1.00 11.13 C ATOM 1121 CD ARG A 76 41.324 2.942 -19.799 1.00 74.25 C ATOM 1122 NE ARG A 76 42.120 2.506 -18.656 1.00 24.12 N ATOM 1123 CZ ARG A 76 42.711 3.343 -17.810 1.00 65.33 C ATOM 1124 NH1 ARG A 76 42.596 4.653 -17.979 1.00 74.30 N ATOM 1125 NH2 ARG A 76 43.420 2.870 -16.793 1.00 31.50 N ATOM 0 H ARG A 76 38.879 0.725 -21.842 1.00 31.42 H new ATOM 0 HA ARG A 76 41.062 -0.847 -22.494 1.00 54.33 H new ATOM 0 HB2 ARG A 76 42.266 0.765 -20.884 1.00 70.13 H new ATOM 0 HB3 ARG A 76 41.422 1.464 -22.252 1.00 70.13 H new ATOM 0 HG2 ARG A 76 39.619 2.232 -20.896 1.00 11.13 H new ATOM 0 HG3 ARG A 76 40.080 1.209 -19.550 1.00 11.13 H new ATOM 0 HD2 ARG A 76 41.985 3.324 -20.577 1.00 74.25 H new ATOM 0 HD3 ARG A 76 40.677 3.766 -19.497 1.00 74.25 H new ATOM 0 HE ARG A 76 42.229 1.504 -18.498 1.00 24.12 H new ATOM 0 HH11 ARG A 76 42.053 5.021 -18.760 1.00 74.30 H new ATOM 0 HH12 ARG A 76 43.051 5.293 -17.328 1.00 74.30 H new ATOM 0 HH21 ARG A 76 43.512 1.863 -16.660 1.00 31.50 H new ATOM 0 HH22 ARG A 76 43.873 3.514 -16.144 1.00 31.50 H new ATOM 1139 N ASP A 77 40.039 -1.268 -19.399 1.00 73.15 N ATOM 1140 CA ASP A 77 40.168 -2.122 -18.225 1.00 24.05 C ATOM 1141 C ASP A 77 40.239 -3.592 -18.626 1.00 74.02 C ATOM 1142 O ASP A 77 40.977 -4.375 -18.028 1.00 71.24 O ATOM 1143 CB ASP A 77 38.994 -1.896 -17.272 1.00 34.45 C ATOM 1144 CG ASP A 77 39.271 -2.422 -15.877 1.00 14.54 C ATOM 1145 OD1 ASP A 77 40.330 -2.076 -15.311 1.00 55.25 O ATOM 1146 OD2 ASP A 77 38.428 -3.177 -15.349 1.00 61.45 O ATOM 0 H ASP A 77 39.269 -0.600 -19.352 1.00 73.15 H new ATOM 0 HA ASP A 77 41.095 -1.859 -17.716 1.00 24.05 H new ATOM 0 HB2 ASP A 77 38.774 -0.830 -17.218 1.00 34.45 H new ATOM 0 HB3 ASP A 77 38.106 -2.385 -17.672 1.00 34.45 H new ATOM 1151 N PHE A 78 39.465 -3.960 -19.642 1.00 34.22 N ATOM 1152 CA PHE A 78 39.437 -5.337 -20.122 1.00 42.22 C ATOM 1153 C PHE A 78 40.089 -5.446 -21.497 1.00 43.14 C ATOM 1154 O PHE A 78 39.724 -6.302 -22.302 1.00 72.31 O ATOM 1155 CB PHE A 78 37.997 -5.848 -20.186 1.00 74.44 C ATOM 1156 CG PHE A 78 37.460 -6.298 -18.857 1.00 42.43 C ATOM 1157 CD1 PHE A 78 36.794 -5.410 -18.028 1.00 51.33 C ATOM 1158 CD2 PHE A 78 37.623 -7.608 -18.437 1.00 11.22 C ATOM 1159 CE1 PHE A 78 36.299 -5.820 -16.805 1.00 13.13 C ATOM 1160 CE2 PHE A 78 37.130 -8.024 -17.215 1.00 15.24 C ATOM 1161 CZ PHE A 78 36.468 -7.129 -16.397 1.00 52.51 C ATOM 0 H PHE A 78 38.849 -3.324 -20.149 1.00 34.22 H new ATOM 0 HA PHE A 78 40.002 -5.952 -19.421 1.00 42.22 H new ATOM 0 HB2 PHE A 78 37.357 -5.058 -20.579 1.00 74.44 H new ATOM 0 HB3 PHE A 78 37.946 -6.679 -20.890 1.00 74.44 H new ATOM 0 HD1 PHE A 78 36.660 -4.385 -18.341 1.00 51.33 H new ATOM 0 HD2 PHE A 78 38.141 -8.312 -19.072 1.00 11.22 H new ATOM 0 HE1 PHE A 78 35.781 -5.118 -16.169 1.00 13.13 H new ATOM 0 HE2 PHE A 78 37.262 -9.048 -16.900 1.00 15.24 H new ATOM 0 HZ PHE A 78 36.083 -7.452 -15.441 1.00 52.51 H new ATOM 1171 N GLN A 79 41.056 -4.572 -21.758 1.00 51.24 N ATOM 1172 CA GLN A 79 41.758 -4.569 -23.036 1.00 41.03 C ATOM 1173 C GLN A 79 40.772 -4.594 -24.199 1.00 71.44 C ATOM 1174 O GLN A 79 40.493 -5.650 -24.768 1.00 24.42 O ATOM 1175 CB GLN A 79 42.702 -5.769 -23.126 1.00 60.32 C ATOM 1176 CG GLN A 79 43.597 -5.932 -21.908 1.00 35.31 C ATOM 1177 CD GLN A 79 44.441 -4.703 -21.635 1.00 71.21 C ATOM 1178 OE1 GLN A 79 45.507 -4.525 -22.225 1.00 1.12 O ATOM 1179 NE2 GLN A 79 43.968 -3.847 -20.737 1.00 55.24 N ATOM 0 H GLN A 79 41.371 -3.857 -21.102 1.00 51.24 H new ATOM 0 HA GLN A 79 42.342 -3.651 -23.099 1.00 41.03 H new ATOM 0 HB2 GLN A 79 42.112 -6.676 -23.257 1.00 60.32 H new ATOM 0 HB3 GLN A 79 43.326 -5.664 -24.014 1.00 60.32 H new ATOM 0 HG2 GLN A 79 42.980 -6.146 -21.035 1.00 35.31 H new ATOM 0 HG3 GLN A 79 44.251 -6.792 -22.055 1.00 35.31 H new ATOM 0 HE21 GLN A 79 43.080 -4.035 -20.272 1.00 55.24 H new ATOM 0 HE22 GLN A 79 44.493 -3.002 -20.512 1.00 55.24 H new ATOM 1188 N VAL A 80 40.246 -3.425 -24.548 1.00 54.34 N ATOM 1189 CA VAL A 80 39.291 -3.313 -25.644 1.00 53.44 C ATOM 1190 C VAL A 80 39.735 -2.261 -26.655 1.00 70.21 C ATOM 1191 O VAL A 80 39.602 -1.061 -26.417 1.00 41.44 O ATOM 1192 CB VAL A 80 37.885 -2.952 -25.129 1.00 53.32 C ATOM 1193 CG1 VAL A 80 36.919 -2.774 -26.291 1.00 62.41 C ATOM 1194 CG2 VAL A 80 37.382 -4.015 -24.165 1.00 31.41 C ATOM 0 H VAL A 80 40.465 -2.542 -24.088 1.00 54.34 H new ATOM 0 HA VAL A 80 39.253 -4.288 -26.131 1.00 53.44 H new ATOM 0 HB VAL A 80 37.946 -2.006 -24.591 1.00 53.32 H new ATOM 0 HG11 VAL A 80 35.931 -2.519 -25.907 1.00 62.41 H new ATOM 0 HG12 VAL A 80 37.274 -1.973 -26.940 1.00 62.41 H new ATOM 0 HG13 VAL A 80 36.859 -3.702 -26.860 1.00 62.41 H new ATOM 0 HG21 VAL A 80 36.387 -3.744 -23.811 1.00 31.41 H new ATOM 0 HG22 VAL A 80 37.336 -4.977 -24.676 1.00 31.41 H new ATOM 0 HG23 VAL A 80 38.062 -4.087 -23.316 1.00 31.41 H new ATOM 1204 N VAL A 81 40.263 -2.720 -27.785 1.00 63.51 N ATOM 1205 CA VAL A 81 40.726 -1.820 -28.834 1.00 42.20 C ATOM 1206 C VAL A 81 39.678 -1.668 -29.930 1.00 53.03 C ATOM 1207 O VAL A 81 39.533 -0.598 -30.521 1.00 40.12 O ATOM 1208 CB VAL A 81 42.041 -2.319 -29.462 1.00 42.41 C ATOM 1209 CG1 VAL A 81 42.521 -1.352 -30.534 1.00 63.22 C ATOM 1210 CG2 VAL A 81 43.104 -2.510 -28.391 1.00 31.04 C ATOM 0 H VAL A 81 40.381 -3.711 -27.997 1.00 63.51 H new ATOM 0 HA VAL A 81 40.900 -0.851 -28.365 1.00 42.20 H new ATOM 0 HB VAL A 81 41.855 -3.284 -29.933 1.00 42.41 H new ATOM 0 HG11 VAL A 81 43.451 -1.721 -30.967 1.00 63.22 H new ATOM 0 HG12 VAL A 81 41.765 -1.270 -31.315 1.00 63.22 H new ATOM 0 HG13 VAL A 81 42.691 -0.371 -30.090 1.00 63.22 H new ATOM 0 HG21 VAL A 81 44.026 -2.863 -28.853 1.00 31.04 H new ATOM 0 HG22 VAL A 81 43.290 -1.560 -27.889 1.00 31.04 H new ATOM 0 HG23 VAL A 81 42.759 -3.244 -27.663 1.00 31.04 H new ATOM 1220 N SER A 82 38.948 -2.746 -30.197 1.00 34.33 N ATOM 1221 CA SER A 82 37.914 -2.734 -31.225 1.00 34.42 C ATOM 1222 C SER A 82 36.537 -2.504 -30.608 1.00 42.13 C ATOM 1223 O SER A 82 36.295 -2.858 -29.454 1.00 70.11 O ATOM 1224 CB SER A 82 37.923 -4.052 -32.002 1.00 55.03 C ATOM 1225 OG SER A 82 39.245 -4.439 -32.335 1.00 14.03 O ATOM 0 H SER A 82 39.054 -3.639 -29.716 1.00 34.33 H new ATOM 0 HA SER A 82 38.127 -1.914 -31.911 1.00 34.42 H new ATOM 0 HB2 SER A 82 37.452 -4.833 -31.405 1.00 55.03 H new ATOM 0 HB3 SER A 82 37.332 -3.946 -32.912 1.00 55.03 H new ATOM 0 HG SER A 82 39.224 -5.285 -32.829 1.00 14.03 H new ATOM 1231 N ILE A 83 35.640 -1.908 -31.386 1.00 73.22 N ATOM 1232 CA ILE A 83 34.288 -1.631 -30.918 1.00 35.10 C ATOM 1233 C ILE A 83 33.511 -2.923 -30.684 1.00 5.45 C ATOM 1234 O ILE A 83 33.025 -3.193 -29.585 1.00 71.14 O ATOM 1235 CB ILE A 83 33.513 -0.755 -31.920 1.00 41.13 C ATOM 1236 CG1 ILE A 83 33.758 0.727 -31.631 1.00 4.40 C ATOM 1237 CG2 ILE A 83 32.026 -1.072 -31.863 1.00 64.40 C ATOM 1238 CD1 ILE A 83 33.655 1.608 -32.857 1.00 32.42 C ATOM 0 H ILE A 83 35.825 -1.608 -32.343 1.00 73.22 H new ATOM 0 HA ILE A 83 34.386 -1.092 -29.976 1.00 35.10 H new ATOM 0 HB ILE A 83 33.873 -0.975 -32.925 1.00 41.13 H new ATOM 0 HG12 ILE A 83 33.037 1.068 -30.887 1.00 4.40 H new ATOM 0 HG13 ILE A 83 34.749 0.844 -31.192 1.00 4.40 H new ATOM 0 HG21 ILE A 83 31.493 -0.444 -32.577 1.00 64.40 H new ATOM 0 HG22 ILE A 83 31.868 -2.121 -32.113 1.00 64.40 H new ATOM 0 HG23 ILE A 83 31.651 -0.878 -30.858 1.00 64.40 H new ATOM 0 HD11 ILE A 83 33.840 2.645 -32.577 1.00 32.42 H new ATOM 0 HD12 ILE A 83 34.394 1.294 -33.594 1.00 32.42 H new ATOM 0 HD13 ILE A 83 32.656 1.521 -33.285 1.00 32.42 H new ATOM 1250 N PRO A 84 33.393 -3.742 -31.739 1.00 3.20 N ATOM 1251 CA PRO A 84 32.679 -5.020 -31.673 1.00 25.43 C ATOM 1252 C PRO A 84 33.418 -6.054 -30.829 1.00 44.23 C ATOM 1253 O PRO A 84 33.950 -7.034 -31.353 1.00 51.51 O ATOM 1254 CB PRO A 84 32.618 -5.469 -33.135 1.00 1.30 C ATOM 1255 CG PRO A 84 33.779 -4.800 -33.785 1.00 44.54 C ATOM 1256 CD PRO A 84 33.948 -3.483 -33.078 1.00 61.23 C ATOM 0 HA PRO A 84 31.701 -4.916 -31.204 1.00 25.43 H new ATOM 0 HB2 PRO A 84 32.688 -6.553 -33.219 1.00 1.30 H new ATOM 0 HB3 PRO A 84 31.678 -5.173 -33.601 1.00 1.30 H new ATOM 0 HG2 PRO A 84 34.679 -5.408 -33.697 1.00 44.54 H new ATOM 0 HG3 PRO A 84 33.598 -4.651 -34.849 1.00 44.54 H new ATOM 0 HD2 PRO A 84 34.995 -3.185 -33.028 1.00 61.23 H new ATOM 0 HD3 PRO A 84 33.412 -2.682 -33.587 1.00 61.23 H new ATOM 1264 N THR A 85 33.448 -5.830 -29.519 1.00 44.21 N ATOM 1265 CA THR A 85 34.123 -6.741 -28.603 1.00 73.12 C ATOM 1266 C THR A 85 33.119 -7.486 -27.730 1.00 41.24 C ATOM 1267 O THR A 85 32.061 -6.955 -27.394 1.00 2.24 O ATOM 1268 CB THR A 85 35.118 -5.992 -27.697 1.00 33.13 C ATOM 1269 OG1 THR A 85 36.056 -5.264 -28.496 1.00 43.22 O ATOM 1270 CG2 THR A 85 35.861 -6.962 -26.791 1.00 32.50 C ATOM 0 H THR A 85 33.012 -5.025 -29.069 1.00 44.21 H new ATOM 0 HA THR A 85 34.670 -7.458 -29.216 1.00 73.12 H new ATOM 0 HB THR A 85 34.555 -5.296 -27.074 1.00 33.13 H new ATOM 0 HG1 THR A 85 35.699 -4.372 -28.689 1.00 43.22 H new ATOM 0 HG21 THR A 85 36.558 -6.410 -26.161 1.00 32.50 H new ATOM 0 HG22 THR A 85 35.146 -7.493 -26.163 1.00 32.50 H new ATOM 0 HG23 THR A 85 36.412 -7.679 -27.400 1.00 32.50 H new ATOM 1278 N MET A 86 33.458 -8.718 -27.367 1.00 21.32 N ATOM 1279 CA MET A 86 32.586 -9.535 -26.531 1.00 21.22 C ATOM 1280 C MET A 86 33.403 -10.463 -25.637 1.00 71.33 C ATOM 1281 O MET A 86 34.482 -10.917 -26.020 1.00 12.01 O ATOM 1282 CB MET A 86 31.632 -10.355 -27.401 1.00 33.42 C ATOM 1283 CG MET A 86 30.845 -11.398 -26.623 1.00 63.45 C ATOM 1284 SD MET A 86 29.656 -12.281 -27.652 1.00 51.42 S ATOM 1285 CE MET A 86 30.333 -13.938 -27.607 1.00 30.22 C ATOM 0 H MET A 86 34.330 -9.173 -27.638 1.00 21.32 H new ATOM 0 HA MET A 86 32.004 -8.868 -25.896 1.00 21.22 H new ATOM 0 HB2 MET A 86 30.934 -9.680 -27.896 1.00 33.42 H new ATOM 0 HB3 MET A 86 32.204 -10.853 -28.184 1.00 33.42 H new ATOM 0 HG2 MET A 86 31.537 -12.113 -26.179 1.00 63.45 H new ATOM 0 HG3 MET A 86 30.318 -10.912 -25.802 1.00 63.45 H new ATOM 0 HE1 MET A 86 29.973 -14.502 -28.468 1.00 30.22 H new ATOM 0 HE2 MET A 86 31.421 -13.887 -27.636 1.00 30.22 H new ATOM 0 HE3 MET A 86 30.017 -14.435 -26.690 1.00 30.22 H new ATOM 1295 N ILE A 87 32.882 -10.741 -24.447 1.00 1.32 N ATOM 1296 CA ILE A 87 33.563 -11.615 -23.500 1.00 65.25 C ATOM 1297 C ILE A 87 32.602 -12.641 -22.909 1.00 42.24 C ATOM 1298 O ILE A 87 31.658 -12.287 -22.201 1.00 64.51 O ATOM 1299 CB ILE A 87 34.208 -10.812 -22.355 1.00 74.10 C ATOM 1300 CG1 ILE A 87 34.906 -9.567 -22.906 1.00 24.42 C ATOM 1301 CG2 ILE A 87 35.191 -11.682 -21.586 1.00 50.22 C ATOM 1302 CD1 ILE A 87 35.564 -8.721 -21.838 1.00 71.31 C ATOM 0 H ILE A 87 31.990 -10.374 -24.116 1.00 1.32 H new ATOM 0 HA ILE A 87 34.346 -12.132 -24.055 1.00 65.25 H new ATOM 0 HB ILE A 87 33.424 -10.491 -21.669 1.00 74.10 H new ATOM 0 HG12 ILE A 87 35.660 -9.874 -23.631 1.00 24.42 H new ATOM 0 HG13 ILE A 87 34.177 -8.959 -23.442 1.00 24.42 H new ATOM 0 HG21 ILE A 87 35.639 -11.100 -20.780 1.00 50.22 H new ATOM 0 HG22 ILE A 87 34.666 -12.540 -21.166 1.00 50.22 H new ATOM 0 HG23 ILE A 87 35.974 -12.030 -22.260 1.00 50.22 H new ATOM 0 HD11 ILE A 87 36.039 -7.856 -22.301 1.00 71.31 H new ATOM 0 HD12 ILE A 87 34.811 -8.384 -21.126 1.00 71.31 H new ATOM 0 HD13 ILE A 87 36.317 -9.313 -21.317 1.00 71.31 H new ATOM 1314 N LEU A 88 32.849 -13.913 -23.203 1.00 52.42 N ATOM 1315 CA LEU A 88 32.006 -14.992 -22.699 1.00 42.42 C ATOM 1316 C LEU A 88 32.386 -15.355 -21.267 1.00 73.43 C ATOM 1317 O LEU A 88 33.373 -16.053 -21.034 1.00 11.13 O ATOM 1318 CB LEU A 88 32.127 -16.223 -23.599 1.00 42.53 C ATOM 1319 CG LEU A 88 31.687 -17.551 -22.983 1.00 1.22 C ATOM 1320 CD1 LEU A 88 30.245 -17.467 -22.508 1.00 53.00 C ATOM 1321 CD2 LEU A 88 31.856 -18.685 -23.983 1.00 22.10 C ATOM 0 H LEU A 88 33.626 -14.222 -23.787 1.00 52.42 H new ATOM 0 HA LEU A 88 30.972 -14.646 -22.705 1.00 42.42 H new ATOM 0 HB2 LEU A 88 31.537 -16.050 -24.499 1.00 42.53 H new ATOM 0 HB3 LEU A 88 33.166 -16.318 -23.913 1.00 42.53 H new ATOM 0 HG LEU A 88 32.321 -17.757 -22.120 1.00 1.22 H new ATOM 0 HD11 LEU A 88 29.949 -18.421 -22.072 1.00 53.00 H new ATOM 0 HD12 LEU A 88 30.154 -16.682 -21.757 1.00 53.00 H new ATOM 0 HD13 LEU A 88 29.596 -17.237 -23.353 1.00 53.00 H new ATOM 0 HD21 LEU A 88 31.538 -19.623 -23.527 1.00 22.10 H new ATOM 0 HD22 LEU A 88 31.248 -18.486 -24.865 1.00 22.10 H new ATOM 0 HD23 LEU A 88 32.904 -18.760 -24.274 1.00 22.10 H new ATOM 1333 N PHE A 89 31.594 -14.880 -20.312 1.00 12.11 N ATOM 1334 CA PHE A 89 31.846 -15.156 -18.902 1.00 53.14 C ATOM 1335 C PHE A 89 31.134 -16.432 -18.462 1.00 55.43 C ATOM 1336 O PHE A 89 30.318 -16.987 -19.198 1.00 55.34 O ATOM 1337 CB PHE A 89 31.386 -13.978 -18.040 1.00 62.41 C ATOM 1338 CG PHE A 89 32.419 -12.897 -17.903 1.00 3.22 C ATOM 1339 CD1 PHE A 89 33.088 -12.708 -16.704 1.00 44.12 C ATOM 1340 CD2 PHE A 89 32.722 -12.070 -18.972 1.00 53.52 C ATOM 1341 CE1 PHE A 89 34.039 -11.713 -16.575 1.00 52.21 C ATOM 1342 CE2 PHE A 89 33.672 -11.073 -18.849 1.00 53.01 C ATOM 1343 CZ PHE A 89 34.332 -10.895 -17.649 1.00 73.21 C ATOM 0 H PHE A 89 30.772 -14.302 -20.488 1.00 12.11 H new ATOM 0 HA PHE A 89 32.919 -15.296 -18.771 1.00 53.14 H new ATOM 0 HB2 PHE A 89 30.481 -13.552 -18.474 1.00 62.41 H new ATOM 0 HB3 PHE A 89 31.122 -14.345 -17.048 1.00 62.41 H new ATOM 0 HD1 PHE A 89 32.864 -13.345 -15.861 1.00 44.12 H new ATOM 0 HD2 PHE A 89 32.210 -12.206 -19.913 1.00 53.52 H new ATOM 0 HE1 PHE A 89 34.553 -11.575 -15.635 1.00 52.21 H new ATOM 0 HE2 PHE A 89 33.898 -10.434 -19.690 1.00 53.01 H new ATOM 0 HZ PHE A 89 35.076 -10.118 -17.550 1.00 73.21 H new ATOM 1353 N LYS A 90 31.449 -16.892 -17.256 1.00 54.13 N ATOM 1354 CA LYS A 90 30.840 -18.101 -16.715 1.00 70.44 C ATOM 1355 C LYS A 90 31.078 -18.205 -15.212 1.00 52.23 C ATOM 1356 O LYS A 90 32.125 -18.676 -14.771 1.00 32.43 O ATOM 1357 CB LYS A 90 31.404 -19.339 -17.418 1.00 15.31 C ATOM 1358 CG LYS A 90 30.362 -20.410 -17.691 1.00 23.43 C ATOM 1359 CD LYS A 90 30.663 -21.166 -18.974 1.00 70.21 C ATOM 1360 CE LYS A 90 31.335 -22.501 -18.691 1.00 5.44 C ATOM 1361 NZ LYS A 90 32.820 -22.389 -18.712 1.00 63.12 N ATOM 0 H LYS A 90 32.123 -16.445 -16.634 1.00 54.13 H new ATOM 0 HA LYS A 90 29.766 -18.047 -16.892 1.00 70.44 H new ATOM 0 HB2 LYS A 90 31.857 -19.036 -18.362 1.00 15.31 H new ATOM 0 HB3 LYS A 90 32.198 -19.765 -16.805 1.00 15.31 H new ATOM 0 HG2 LYS A 90 30.329 -21.109 -16.855 1.00 23.43 H new ATOM 0 HG3 LYS A 90 29.376 -19.950 -17.761 1.00 23.43 H new ATOM 0 HD2 LYS A 90 29.737 -21.333 -19.525 1.00 70.21 H new ATOM 0 HD3 LYS A 90 31.308 -20.561 -19.611 1.00 70.21 H new ATOM 0 HE2 LYS A 90 31.012 -22.871 -17.718 1.00 5.44 H new ATOM 0 HE3 LYS A 90 31.015 -23.233 -19.433 1.00 5.44 H new ATOM 0 HZ1 LYS A 90 33.238 -23.335 -18.821 1.00 63.12 H new ATOM 0 HZ2 LYS A 90 33.112 -21.788 -19.509 1.00 63.12 H new ATOM 0 HZ3 LYS A 90 33.149 -21.966 -17.821 1.00 63.12 H new ATOM 1375 N GLY A 91 30.098 -17.762 -14.430 1.00 52.45 N ATOM 1376 CA GLY A 91 30.220 -17.815 -12.985 1.00 41.44 C ATOM 1377 C GLY A 91 31.037 -16.665 -12.430 1.00 52.41 C ATOM 1378 O GLY A 91 31.779 -16.831 -11.463 1.00 34.01 O ATOM 0 H GLY A 91 29.222 -17.367 -14.772 1.00 52.45 H new ATOM 0 HA2 GLY A 91 29.226 -17.799 -12.539 1.00 41.44 H new ATOM 0 HA3 GLY A 91 30.684 -18.758 -12.697 1.00 41.44 H new ATOM 1382 N GLY A 92 30.902 -15.493 -13.045 1.00 73.40 N ATOM 1383 CA GLY A 92 31.641 -14.329 -12.593 1.00 54.14 C ATOM 1384 C GLY A 92 33.121 -14.425 -12.904 1.00 61.24 C ATOM 1385 O GLY A 92 33.962 -14.058 -12.083 1.00 13.42 O ATOM 0 H GLY A 92 30.294 -15.330 -13.848 1.00 73.40 H new ATOM 0 HA2 GLY A 92 31.231 -13.436 -13.065 1.00 54.14 H new ATOM 0 HA3 GLY A 92 31.506 -14.212 -11.518 1.00 54.14 H new ATOM 1389 N THR A 93 33.443 -14.923 -14.094 1.00 42.35 N ATOM 1390 CA THR A 93 34.832 -15.069 -14.511 1.00 61.21 C ATOM 1391 C THR A 93 34.941 -15.198 -16.026 1.00 40.21 C ATOM 1392 O THR A 93 34.209 -15.955 -16.663 1.00 73.22 O ATOM 1393 CB THR A 93 35.489 -16.298 -13.854 1.00 50.04 C ATOM 1394 OG1 THR A 93 35.354 -16.223 -12.431 1.00 20.42 O ATOM 1395 CG2 THR A 93 36.962 -16.387 -14.225 1.00 74.43 C ATOM 0 H THR A 93 32.760 -15.232 -14.786 1.00 42.35 H new ATOM 0 HA THR A 93 35.355 -14.169 -14.187 1.00 61.21 H new ATOM 0 HB THR A 93 34.984 -17.192 -14.220 1.00 50.04 H new ATOM 0 HG1 THR A 93 35.180 -15.295 -12.167 1.00 20.42 H new ATOM 0 HG21 THR A 93 37.405 -17.262 -13.750 1.00 74.43 H new ATOM 0 HG22 THR A 93 37.060 -16.473 -15.307 1.00 74.43 H new ATOM 0 HG23 THR A 93 37.478 -15.489 -13.884 1.00 74.43 H new ATOM 1403 N PRO A 94 35.877 -14.442 -16.619 1.00 52.22 N ATOM 1404 CA PRO A 94 36.104 -14.455 -18.067 1.00 64.13 C ATOM 1405 C PRO A 94 36.720 -15.766 -18.545 1.00 42.43 C ATOM 1406 O PRO A 94 37.941 -15.893 -18.635 1.00 64.02 O ATOM 1407 CB PRO A 94 37.080 -13.296 -18.284 1.00 11.43 C ATOM 1408 CG PRO A 94 37.787 -13.147 -16.981 1.00 31.11 C ATOM 1409 CD PRO A 94 36.785 -13.516 -15.922 1.00 23.32 C ATOM 0 HA PRO A 94 35.173 -14.357 -18.626 1.00 64.13 H new ATOM 0 HB2 PRO A 94 37.779 -13.513 -19.091 1.00 11.43 H new ATOM 0 HB3 PRO A 94 36.554 -12.381 -18.556 1.00 11.43 H new ATOM 0 HG2 PRO A 94 38.661 -13.797 -16.935 1.00 31.11 H new ATOM 0 HG3 PRO A 94 38.142 -12.125 -16.844 1.00 31.11 H new ATOM 0 HD2 PRO A 94 37.263 -13.991 -15.065 1.00 23.32 H new ATOM 0 HD3 PRO A 94 36.256 -12.640 -15.547 1.00 23.32 H new ATOM 1417 N VAL A 95 35.867 -16.738 -18.852 1.00 22.14 N ATOM 1418 CA VAL A 95 36.328 -18.039 -19.322 1.00 52.12 C ATOM 1419 C VAL A 95 36.721 -17.983 -20.794 1.00 71.12 C ATOM 1420 O VAL A 95 37.658 -18.656 -21.224 1.00 41.12 O ATOM 1421 CB VAL A 95 35.247 -19.120 -19.131 1.00 41.35 C ATOM 1422 CG1 VAL A 95 34.946 -19.319 -17.654 1.00 0.01 C ATOM 1423 CG2 VAL A 95 33.985 -18.751 -19.896 1.00 72.13 C ATOM 0 H VAL A 95 34.853 -16.649 -18.784 1.00 22.14 H new ATOM 0 HA VAL A 95 37.202 -18.300 -18.725 1.00 52.12 H new ATOM 0 HB VAL A 95 35.624 -20.062 -19.530 1.00 41.35 H new ATOM 0 HG11 VAL A 95 34.180 -20.086 -17.539 1.00 0.01 H new ATOM 0 HG12 VAL A 95 35.853 -19.631 -17.137 1.00 0.01 H new ATOM 0 HG13 VAL A 95 34.588 -18.382 -17.226 1.00 0.01 H new ATOM 0 HG21 VAL A 95 33.232 -19.525 -19.750 1.00 72.13 H new ATOM 0 HG22 VAL A 95 33.602 -17.799 -19.529 1.00 72.13 H new ATOM 0 HG23 VAL A 95 34.215 -18.664 -20.958 1.00 72.13 H new ATOM 1433 N LYS A 96 35.999 -17.176 -21.564 1.00 14.25 N ATOM 1434 CA LYS A 96 36.272 -17.029 -22.988 1.00 73.23 C ATOM 1435 C LYS A 96 36.092 -15.580 -23.430 1.00 64.33 C ATOM 1436 O LYS A 96 35.482 -14.777 -22.724 1.00 62.24 O ATOM 1437 CB LYS A 96 35.349 -17.940 -23.802 1.00 10.43 C ATOM 1438 CG LYS A 96 35.748 -19.404 -23.759 1.00 62.53 C ATOM 1439 CD LYS A 96 36.584 -19.790 -24.969 1.00 35.14 C ATOM 1440 CE LYS A 96 38.064 -19.536 -24.727 1.00 73.53 C ATOM 1441 NZ LYS A 96 38.592 -20.361 -23.606 1.00 21.24 N ATOM 0 H LYS A 96 35.219 -16.613 -21.225 1.00 14.25 H new ATOM 0 HA LYS A 96 37.308 -17.319 -23.166 1.00 73.23 H new ATOM 0 HB2 LYS A 96 34.330 -17.839 -23.428 1.00 10.43 H new ATOM 0 HB3 LYS A 96 35.343 -17.604 -24.839 1.00 10.43 H new ATOM 0 HG2 LYS A 96 36.312 -19.602 -22.848 1.00 62.53 H new ATOM 0 HG3 LYS A 96 34.853 -20.025 -23.721 1.00 62.53 H new ATOM 0 HD2 LYS A 96 36.427 -20.844 -25.200 1.00 35.14 H new ATOM 0 HD3 LYS A 96 36.253 -19.221 -25.838 1.00 35.14 H new ATOM 0 HE2 LYS A 96 38.624 -19.757 -25.636 1.00 73.53 H new ATOM 0 HE3 LYS A 96 38.220 -18.480 -24.506 1.00 73.53 H new ATOM 0 HZ1 LYS A 96 38.743 -19.758 -22.772 1.00 21.24 H new ATOM 0 HZ2 LYS A 96 37.908 -21.109 -23.373 1.00 21.24 H new ATOM 0 HZ3 LYS A 96 39.495 -20.793 -23.888 1.00 21.24 H new ATOM 1455 N ARG A 97 36.626 -15.254 -24.603 1.00 4.34 N ATOM 1456 CA ARG A 97 36.525 -13.902 -25.138 1.00 53.44 C ATOM 1457 C ARG A 97 36.526 -13.920 -26.664 1.00 55.12 C ATOM 1458 O ARG A 97 37.345 -14.597 -27.286 1.00 50.30 O ATOM 1459 CB ARG A 97 37.681 -13.039 -24.627 1.00 75.55 C ATOM 1460 CG ARG A 97 37.668 -11.620 -25.171 1.00 65.34 C ATOM 1461 CD ARG A 97 38.988 -10.912 -24.909 1.00 0.45 C ATOM 1462 NE ARG A 97 38.833 -9.789 -23.987 1.00 35.41 N ATOM 1463 CZ ARG A 97 38.800 -9.923 -22.666 1.00 13.43 C ATOM 1464 NH1 ARG A 97 38.911 -11.123 -22.114 1.00 63.11 N ATOM 1465 NH2 ARG A 97 38.655 -8.853 -21.893 1.00 64.43 N ATOM 0 H ARG A 97 37.133 -15.908 -25.200 1.00 4.34 H new ATOM 0 HA ARG A 97 35.583 -13.473 -24.797 1.00 53.44 H new ATOM 0 HB2 ARG A 97 37.642 -13.002 -23.538 1.00 75.55 H new ATOM 0 HB3 ARG A 97 38.624 -13.514 -24.896 1.00 75.55 H new ATOM 0 HG2 ARG A 97 37.472 -11.642 -26.243 1.00 65.34 H new ATOM 0 HG3 ARG A 97 36.855 -11.059 -24.709 1.00 65.34 H new ATOM 0 HD2 ARG A 97 39.705 -11.622 -24.498 1.00 0.45 H new ATOM 0 HD3 ARG A 97 39.400 -10.553 -25.852 1.00 0.45 H new ATOM 0 HE ARG A 97 38.745 -8.851 -24.379 1.00 35.41 H new ATOM 0 HH11 ARG A 97 39.022 -11.948 -22.704 1.00 63.11 H new ATOM 0 HH12 ARG A 97 38.885 -11.222 -21.099 1.00 63.11 H new ATOM 0 HH21 ARG A 97 38.569 -7.928 -22.314 1.00 64.43 H new ATOM 0 HH22 ARG A 97 38.630 -8.956 -20.879 1.00 64.43 H new ATOM 1479 N ILE A 98 35.602 -13.173 -27.260 1.00 62.11 N ATOM 1480 CA ILE A 98 35.497 -13.103 -28.712 1.00 62.42 C ATOM 1481 C ILE A 98 35.263 -11.670 -29.178 1.00 72.53 C ATOM 1482 O ILE A 98 34.445 -10.947 -28.609 1.00 44.13 O ATOM 1483 CB ILE A 98 34.357 -13.995 -29.238 1.00 32.24 C ATOM 1484 CG1 ILE A 98 34.585 -15.450 -28.822 1.00 61.04 C ATOM 1485 CG2 ILE A 98 34.250 -13.881 -30.751 1.00 35.21 C ATOM 1486 CD1 ILE A 98 34.035 -15.781 -27.453 1.00 1.14 C ATOM 0 H ILE A 98 34.916 -12.608 -26.760 1.00 62.11 H new ATOM 0 HA ILE A 98 36.444 -13.463 -29.114 1.00 62.42 H new ATOM 0 HB ILE A 98 33.418 -13.655 -28.801 1.00 32.24 H new ATOM 0 HG12 ILE A 98 34.122 -16.107 -29.559 1.00 61.04 H new ATOM 0 HG13 ILE A 98 35.655 -15.660 -28.835 1.00 61.04 H new ATOM 0 HG21 ILE A 98 33.440 -14.517 -31.107 1.00 35.21 H new ATOM 0 HG22 ILE A 98 34.046 -12.846 -31.024 1.00 35.21 H new ATOM 0 HG23 ILE A 98 35.188 -14.198 -31.207 1.00 35.21 H new ATOM 0 HD11 ILE A 98 34.233 -16.828 -27.225 1.00 1.14 H new ATOM 0 HD12 ILE A 98 34.516 -15.150 -26.705 1.00 1.14 H new ATOM 0 HD13 ILE A 98 32.960 -15.604 -27.440 1.00 1.14 H new ATOM 1498 N VAL A 99 35.985 -11.267 -30.219 1.00 13.10 N ATOM 1499 CA VAL A 99 35.854 -9.921 -30.765 1.00 33.25 C ATOM 1500 C VAL A 99 35.790 -9.949 -32.287 1.00 70.34 C ATOM 1501 O VAL A 99 36.509 -10.709 -32.935 1.00 41.44 O ATOM 1502 CB VAL A 99 37.025 -9.022 -30.327 1.00 41.22 C ATOM 1503 CG1 VAL A 99 38.321 -9.817 -30.281 1.00 71.20 C ATOM 1504 CG2 VAL A 99 37.156 -7.827 -31.260 1.00 21.21 C ATOM 0 H VAL A 99 36.666 -11.853 -30.701 1.00 13.10 H new ATOM 0 HA VAL A 99 34.924 -9.510 -30.373 1.00 33.25 H new ATOM 0 HB VAL A 99 36.819 -8.650 -29.323 1.00 41.22 H new ATOM 0 HG11 VAL A 99 39.137 -9.165 -29.970 1.00 71.20 H new ATOM 0 HG12 VAL A 99 38.220 -10.637 -29.570 1.00 71.20 H new ATOM 0 HG13 VAL A 99 38.536 -10.220 -31.271 1.00 71.20 H new ATOM 0 HG21 VAL A 99 37.988 -7.202 -30.936 1.00 21.21 H new ATOM 0 HG22 VAL A 99 37.339 -8.177 -32.276 1.00 21.21 H new ATOM 0 HG23 VAL A 99 36.235 -7.245 -31.237 1.00 21.21 H new ATOM 1514 N GLY A 100 34.923 -9.115 -32.854 1.00 3.12 N ATOM 1515 CA GLY A 100 34.782 -9.059 -34.297 1.00 34.50 C ATOM 1516 C GLY A 100 33.338 -9.182 -34.743 1.00 1.01 C ATOM 1517 O GLY A 100 32.601 -10.038 -34.255 1.00 23.31 O ATOM 0 H GLY A 100 34.316 -8.477 -32.339 1.00 3.12 H new ATOM 0 HA2 GLY A 100 35.193 -8.118 -34.663 1.00 34.50 H new ATOM 0 HA3 GLY A 100 35.368 -9.860 -34.748 1.00 34.50 H new ATOM 1521 N ALA A 101 32.932 -8.323 -35.672 1.00 4.52 N ATOM 1522 CA ALA A 101 31.568 -8.339 -36.184 1.00 14.44 C ATOM 1523 C ALA A 101 31.437 -9.290 -37.368 1.00 53.33 C ATOM 1524 O ALA A 101 31.556 -8.880 -38.523 1.00 41.12 O ATOM 1525 CB ALA A 101 31.136 -6.935 -36.581 1.00 45.32 C ATOM 0 H ALA A 101 33.529 -7.607 -36.085 1.00 4.52 H new ATOM 0 HA ALA A 101 30.913 -8.697 -35.390 1.00 14.44 H new ATOM 0 HB1 ALA A 101 30.115 -6.962 -36.962 1.00 45.32 H new ATOM 0 HB2 ALA A 101 31.181 -6.281 -35.710 1.00 45.32 H new ATOM 0 HB3 ALA A 101 31.802 -6.555 -37.356 1.00 45.32 H new ATOM 1531 N LYS A 102 31.191 -10.562 -37.075 1.00 64.22 N ATOM 1532 CA LYS A 102 31.044 -11.573 -38.116 1.00 15.13 C ATOM 1533 C LYS A 102 29.708 -12.298 -37.984 1.00 22.21 C ATOM 1534 O LYS A 102 28.980 -12.106 -37.011 1.00 73.04 O ATOM 1535 CB LYS A 102 32.193 -12.581 -38.043 1.00 52.24 C ATOM 1536 CG LYS A 102 32.558 -12.986 -36.626 1.00 5.42 C ATOM 1537 CD LYS A 102 33.886 -12.382 -36.198 1.00 55.41 C ATOM 1538 CE LYS A 102 34.478 -13.122 -35.009 1.00 73.40 C ATOM 1539 NZ LYS A 102 34.395 -12.319 -33.758 1.00 32.12 N ATOM 0 H LYS A 102 31.089 -10.918 -36.125 1.00 64.22 H new ATOM 0 HA LYS A 102 31.071 -11.070 -39.083 1.00 15.13 H new ATOM 0 HB2 LYS A 102 31.919 -13.472 -38.608 1.00 52.24 H new ATOM 0 HB3 LYS A 102 33.071 -12.154 -38.527 1.00 52.24 H new ATOM 0 HG2 LYS A 102 31.773 -12.664 -35.941 1.00 5.42 H new ATOM 0 HG3 LYS A 102 32.613 -14.073 -36.560 1.00 5.42 H new ATOM 0 HD2 LYS A 102 34.587 -12.413 -37.032 1.00 55.41 H new ATOM 0 HD3 LYS A 102 33.743 -11.333 -35.940 1.00 55.41 H new ATOM 0 HE2 LYS A 102 33.951 -14.066 -34.870 1.00 73.40 H new ATOM 0 HE3 LYS A 102 35.520 -13.366 -35.215 1.00 73.40 H new ATOM 0 HZ1 LYS A 102 34.045 -12.918 -32.983 1.00 32.12 H new ATOM 0 HZ2 LYS A 102 35.339 -11.955 -33.516 1.00 32.12 H new ATOM 0 HZ3 LYS A 102 33.743 -11.521 -33.900 1.00 32.12 H new ATOM 1553 N GLY A 103 29.394 -13.134 -38.969 1.00 72.02 N ATOM 1554 CA GLY A 103 28.147 -13.876 -38.943 1.00 21.32 C ATOM 1555 C GLY A 103 28.048 -14.800 -37.745 1.00 73.23 C ATOM 1556 O GLY A 103 29.020 -14.989 -37.014 1.00 43.03 O ATOM 0 H GLY A 103 29.981 -13.311 -39.784 1.00 72.02 H new ATOM 0 HA2 GLY A 103 27.311 -13.176 -38.928 1.00 21.32 H new ATOM 0 HA3 GLY A 103 28.057 -14.461 -39.858 1.00 21.32 H new ATOM 1560 N LYS A 104 26.868 -15.377 -37.542 1.00 23.34 N ATOM 1561 CA LYS A 104 26.644 -16.286 -36.424 1.00 74.50 C ATOM 1562 C LYS A 104 27.612 -17.463 -36.477 1.00 24.40 C ATOM 1563 O LYS A 104 28.180 -17.858 -35.459 1.00 62.21 O ATOM 1564 CB LYS A 104 25.201 -16.798 -36.438 1.00 64.32 C ATOM 1565 CG LYS A 104 24.801 -17.451 -37.750 1.00 15.01 C ATOM 1566 CD LYS A 104 24.897 -18.965 -37.672 1.00 24.44 C ATOM 1567 CE LYS A 104 23.571 -19.588 -37.263 1.00 24.30 C ATOM 1568 NZ LYS A 104 23.028 -20.481 -38.324 1.00 33.14 N ATOM 0 H LYS A 104 26.052 -15.231 -38.137 1.00 23.34 H new ATOM 0 HA LYS A 104 26.820 -15.735 -35.500 1.00 74.50 H new ATOM 0 HB2 LYS A 104 25.071 -17.517 -35.629 1.00 64.32 H new ATOM 0 HB3 LYS A 104 24.527 -15.966 -36.235 1.00 64.32 H new ATOM 0 HG2 LYS A 104 23.781 -17.163 -38.005 1.00 15.01 H new ATOM 0 HG3 LYS A 104 25.445 -17.086 -38.550 1.00 15.01 H new ATOM 0 HD2 LYS A 104 25.203 -19.361 -38.640 1.00 24.44 H new ATOM 0 HD3 LYS A 104 25.668 -19.245 -36.955 1.00 24.44 H new ATOM 0 HE2 LYS A 104 23.705 -20.157 -36.343 1.00 24.30 H new ATOM 0 HE3 LYS A 104 22.850 -18.799 -37.048 1.00 24.30 H new ATOM 0 HZ1 LYS A 104 22.124 -20.886 -38.008 1.00 33.14 H new ATOM 0 HZ2 LYS A 104 22.876 -19.933 -39.195 1.00 33.14 H new ATOM 0 HZ3 LYS A 104 23.704 -21.248 -38.512 1.00 33.14 H new ATOM 1582 N ALA A 105 27.797 -18.019 -37.670 1.00 44.42 N ATOM 1583 CA ALA A 105 28.700 -19.148 -37.856 1.00 3.32 C ATOM 1584 C ALA A 105 30.097 -18.825 -37.336 1.00 31.14 C ATOM 1585 O ALA A 105 30.567 -19.432 -36.373 1.00 54.43 O ATOM 1586 CB ALA A 105 28.760 -19.540 -39.325 1.00 33.24 C ATOM 0 H ALA A 105 27.333 -17.706 -38.523 1.00 44.42 H new ATOM 0 HA ALA A 105 28.312 -19.990 -37.282 1.00 3.32 H new ATOM 0 HB1 ALA A 105 29.438 -20.384 -39.449 1.00 33.24 H new ATOM 0 HB2 ALA A 105 27.764 -19.821 -39.668 1.00 33.24 H new ATOM 0 HB3 ALA A 105 29.121 -18.696 -39.912 1.00 33.24 H new ATOM 1592 N ALA A 106 30.756 -17.867 -37.979 1.00 1.13 N ATOM 1593 CA ALA A 106 32.099 -17.463 -37.580 1.00 33.23 C ATOM 1594 C ALA A 106 32.144 -17.093 -36.101 1.00 70.20 C ATOM 1595 O ALA A 106 32.919 -17.663 -35.331 1.00 73.13 O ATOM 1596 CB ALA A 106 32.574 -16.296 -38.432 1.00 62.35 C ATOM 0 H ALA A 106 30.382 -17.356 -38.779 1.00 1.13 H new ATOM 0 HA ALA A 106 32.768 -18.309 -37.737 1.00 33.23 H new ATOM 0 HB1 ALA A 106 33.578 -16.005 -38.123 1.00 62.35 H new ATOM 0 HB2 ALA A 106 32.589 -16.593 -39.481 1.00 62.35 H new ATOM 0 HB3 ALA A 106 31.896 -15.452 -38.304 1.00 62.35 H new ATOM 1602 N LEU A 107 31.310 -16.136 -35.710 1.00 3.22 N ATOM 1603 CA LEU A 107 31.256 -15.689 -34.322 1.00 54.12 C ATOM 1604 C LEU A 107 31.132 -16.876 -33.372 1.00 51.13 C ATOM 1605 O LEU A 107 31.698 -16.871 -32.279 1.00 24.25 O ATOM 1606 CB LEU A 107 30.078 -14.734 -34.119 1.00 40.14 C ATOM 1607 CG LEU A 107 30.251 -13.677 -33.027 1.00 72.55 C ATOM 1608 CD1 LEU A 107 30.548 -14.336 -31.690 1.00 21.55 C ATOM 1609 CD2 LEU A 107 31.357 -12.701 -33.400 1.00 53.15 C ATOM 0 H LEU A 107 30.662 -15.655 -36.334 1.00 3.22 H new ATOM 0 HA LEU A 107 32.185 -15.164 -34.099 1.00 54.12 H new ATOM 0 HB2 LEU A 107 29.883 -14.224 -35.062 1.00 40.14 H new ATOM 0 HB3 LEU A 107 29.192 -15.326 -33.887 1.00 40.14 H new ATOM 0 HG LEU A 107 29.318 -13.120 -32.935 1.00 72.55 H new ATOM 0 HD11 LEU A 107 30.668 -13.569 -30.925 1.00 21.55 H new ATOM 0 HD12 LEU A 107 29.723 -14.994 -31.418 1.00 21.55 H new ATOM 0 HD13 LEU A 107 31.466 -14.918 -31.767 1.00 21.55 H new ATOM 0 HD21 LEU A 107 31.466 -11.956 -32.612 1.00 53.15 H new ATOM 0 HD22 LEU A 107 32.295 -13.243 -33.520 1.00 53.15 H new ATOM 0 HD23 LEU A 107 31.103 -12.204 -34.336 1.00 53.15 H new ATOM 1621 N LEU A 108 30.390 -17.892 -33.797 1.00 73.25 N ATOM 1622 CA LEU A 108 30.193 -19.088 -32.986 1.00 22.32 C ATOM 1623 C LEU A 108 31.480 -19.902 -32.894 1.00 4.51 C ATOM 1624 O LEU A 108 31.792 -20.474 -31.849 1.00 54.41 O ATOM 1625 CB LEU A 108 29.074 -19.949 -33.573 1.00 75.14 C ATOM 1626 CG LEU A 108 28.670 -21.176 -32.755 1.00 22.02 C ATOM 1627 CD1 LEU A 108 27.223 -21.552 -33.034 1.00 63.13 C ATOM 1628 CD2 LEU A 108 29.595 -22.346 -33.057 1.00 21.14 C ATOM 0 H LEU A 108 29.914 -17.912 -34.699 1.00 73.25 H new ATOM 0 HA LEU A 108 29.911 -18.772 -31.982 1.00 22.32 H new ATOM 0 HB2 LEU A 108 28.193 -19.321 -33.708 1.00 75.14 H new ATOM 0 HB3 LEU A 108 29.382 -20.283 -34.564 1.00 75.14 H new ATOM 0 HG LEU A 108 28.762 -20.930 -31.697 1.00 22.02 H new ATOM 0 HD11 LEU A 108 26.954 -22.427 -32.443 1.00 63.13 H new ATOM 0 HD12 LEU A 108 26.573 -20.719 -32.766 1.00 63.13 H new ATOM 0 HD13 LEU A 108 27.104 -21.779 -34.093 1.00 63.13 H new ATOM 0 HD21 LEU A 108 29.293 -23.211 -32.466 1.00 21.14 H new ATOM 0 HD22 LEU A 108 29.536 -22.592 -34.117 1.00 21.14 H new ATOM 0 HD23 LEU A 108 30.620 -22.074 -32.804 1.00 21.14 H new ATOM 1640 N ARG A 109 32.226 -19.947 -33.993 1.00 54.54 N ATOM 1641 CA ARG A 109 33.480 -20.689 -34.036 1.00 53.45 C ATOM 1642 C ARG A 109 34.520 -20.051 -33.120 1.00 63.24 C ATOM 1643 O ARG A 109 35.253 -20.748 -32.419 1.00 42.12 O ATOM 1644 CB ARG A 109 34.013 -20.747 -35.469 1.00 23.30 C ATOM 1645 CG ARG A 109 32.945 -21.056 -36.505 1.00 14.41 C ATOM 1646 CD ARG A 109 33.465 -21.999 -37.578 1.00 34.31 C ATOM 1647 NE ARG A 109 33.949 -23.256 -37.013 1.00 63.04 N ATOM 1648 CZ ARG A 109 33.156 -24.272 -36.693 1.00 71.23 C ATOM 1649 NH1 ARG A 109 31.847 -24.180 -36.882 1.00 33.35 N ATOM 1650 NH2 ARG A 109 33.672 -25.384 -36.184 1.00 40.41 N ATOM 0 H ARG A 109 31.983 -19.478 -34.866 1.00 54.54 H new ATOM 0 HA ARG A 109 33.286 -21.703 -33.686 1.00 53.45 H new ATOM 0 HB2 ARG A 109 34.478 -19.792 -35.713 1.00 23.30 H new ATOM 0 HB3 ARG A 109 34.793 -21.506 -35.527 1.00 23.30 H new ATOM 0 HG2 ARG A 109 32.080 -21.503 -36.015 1.00 14.41 H new ATOM 0 HG3 ARG A 109 32.606 -20.129 -36.967 1.00 14.41 H new ATOM 0 HD2 ARG A 109 32.671 -22.206 -38.295 1.00 34.31 H new ATOM 0 HD3 ARG A 109 34.272 -21.514 -38.127 1.00 34.31 H new ATOM 0 HE ARG A 109 34.951 -23.359 -36.856 1.00 63.04 H new ATOM 0 HH11 ARG A 109 31.447 -23.328 -37.274 1.00 33.35 H new ATOM 0 HH12 ARG A 109 31.240 -24.962 -36.635 1.00 33.35 H new ATOM 0 HH21 ARG A 109 34.679 -25.459 -36.038 1.00 40.41 H new ATOM 0 HH22 ARG A 109 33.062 -26.164 -35.939 1.00 40.41 H new ATOM 1664 N GLU A 110 34.578 -18.723 -33.133 1.00 65.21 N ATOM 1665 CA GLU A 110 35.530 -17.993 -32.304 1.00 44.14 C ATOM 1666 C GLU A 110 35.434 -18.435 -30.847 1.00 13.41 C ATOM 1667 O GLU A 110 36.396 -18.320 -30.088 1.00 3.24 O ATOM 1668 CB GLU A 110 35.282 -16.487 -32.410 1.00 10.21 C ATOM 1669 CG GLU A 110 35.985 -15.835 -33.589 1.00 2.04 C ATOM 1670 CD GLU A 110 37.478 -16.102 -33.598 1.00 73.40 C ATOM 1671 OE1 GLU A 110 38.127 -15.882 -32.555 1.00 22.14 O ATOM 1672 OE2 GLU A 110 37.996 -16.533 -34.650 1.00 1.42 O ATOM 0 H GLU A 110 33.978 -18.131 -33.708 1.00 65.21 H new ATOM 0 HA GLU A 110 36.534 -18.215 -32.667 1.00 44.14 H new ATOM 0 HB2 GLU A 110 34.210 -16.309 -32.494 1.00 10.21 H new ATOM 0 HB3 GLU A 110 35.614 -16.007 -31.489 1.00 10.21 H new ATOM 0 HG2 GLU A 110 35.548 -16.204 -34.517 1.00 2.04 H new ATOM 0 HG3 GLU A 110 35.812 -14.759 -33.561 1.00 2.04 H new ATOM 1679 N ILE A 111 34.266 -18.939 -30.464 1.00 54.10 N ATOM 1680 CA ILE A 111 34.043 -19.398 -29.099 1.00 20.14 C ATOM 1681 C ILE A 111 34.519 -20.835 -28.917 1.00 65.34 C ATOM 1682 O ILE A 111 35.493 -21.092 -28.210 1.00 12.32 O ATOM 1683 CB ILE A 111 32.555 -19.310 -28.710 1.00 43.54 C ATOM 1684 CG1 ILE A 111 31.916 -18.066 -29.333 1.00 24.42 C ATOM 1685 CG2 ILE A 111 32.403 -19.288 -27.197 1.00 22.42 C ATOM 1686 CD1 ILE A 111 30.471 -17.865 -28.934 1.00 23.45 C ATOM 0 H ILE A 111 33.459 -19.040 -31.080 1.00 54.10 H new ATOM 0 HA ILE A 111 34.620 -18.741 -28.448 1.00 20.14 H new ATOM 0 HB ILE A 111 32.041 -20.191 -29.094 1.00 43.54 H new ATOM 0 HG12 ILE A 111 32.491 -17.187 -29.041 1.00 24.42 H new ATOM 0 HG13 ILE A 111 31.978 -18.141 -30.419 1.00 24.42 H new ATOM 0 HG21 ILE A 111 31.346 -19.226 -26.938 1.00 22.42 H new ATOM 0 HG22 ILE A 111 32.827 -20.200 -26.775 1.00 22.42 H new ATOM 0 HG23 ILE A 111 32.927 -18.423 -26.791 1.00 22.42 H new ATOM 0 HD11 ILE A 111 30.083 -16.965 -29.412 1.00 23.45 H new ATOM 0 HD12 ILE A 111 29.883 -18.726 -29.251 1.00 23.45 H new ATOM 0 HD13 ILE A 111 30.404 -17.758 -27.851 1.00 23.45 H new ATOM 1698 N GLU A 112 33.827 -21.768 -29.563 1.00 62.44 N ATOM 1699 CA GLU A 112 34.181 -23.180 -29.474 1.00 20.22 C ATOM 1700 C GLU A 112 35.655 -23.394 -29.806 1.00 50.12 C ATOM 1701 O GLU A 112 36.376 -24.072 -29.074 1.00 35.12 O ATOM 1702 CB GLU A 112 33.308 -24.009 -30.419 1.00 44.52 C ATOM 1703 CG GLU A 112 33.296 -23.490 -31.847 1.00 62.03 C ATOM 1704 CD GLU A 112 34.249 -24.248 -32.751 1.00 41.23 C ATOM 1705 OE1 GLU A 112 34.370 -25.480 -32.585 1.00 51.22 O ATOM 1706 OE2 GLU A 112 34.874 -23.610 -33.624 1.00 11.41 O ATOM 0 H GLU A 112 33.019 -21.572 -30.153 1.00 62.44 H new ATOM 0 HA GLU A 112 34.006 -23.507 -28.449 1.00 20.22 H new ATOM 0 HB2 GLU A 112 33.663 -25.039 -30.419 1.00 44.52 H new ATOM 0 HB3 GLU A 112 32.287 -24.024 -30.038 1.00 44.52 H new ATOM 0 HG2 GLU A 112 32.285 -23.563 -32.248 1.00 62.03 H new ATOM 0 HG3 GLU A 112 33.563 -22.433 -31.848 1.00 62.03 H new ATOM 1713 N ASP A 113 36.095 -22.811 -30.916 1.00 5.14 N ATOM 1714 CA ASP A 113 37.483 -22.936 -31.346 1.00 62.30 C ATOM 1715 C ASP A 113 38.434 -22.422 -30.270 1.00 44.01 C ATOM 1716 O ASP A 113 39.531 -22.952 -30.092 1.00 51.34 O ATOM 1717 CB ASP A 113 37.706 -22.169 -32.650 1.00 62.44 C ATOM 1718 CG ASP A 113 38.894 -22.692 -33.434 1.00 21.53 C ATOM 1719 OD1 ASP A 113 38.760 -23.756 -34.074 1.00 23.00 O ATOM 1720 OD2 ASP A 113 39.958 -22.039 -33.406 1.00 1.23 O ATOM 0 H ASP A 113 35.511 -22.248 -31.534 1.00 5.14 H new ATOM 0 HA ASP A 113 37.691 -23.993 -31.515 1.00 62.30 H new ATOM 0 HB2 ASP A 113 36.809 -22.237 -33.266 1.00 62.44 H new ATOM 0 HB3 ASP A 113 37.859 -21.113 -32.426 1.00 62.44 H new ATOM 1725 N ALA A 114 38.007 -21.386 -29.556 1.00 1.03 N ATOM 1726 CA ALA A 114 38.820 -20.801 -28.497 1.00 1.30 C ATOM 1727 C ALA A 114 38.790 -21.664 -27.241 1.00 30.44 C ATOM 1728 O ALA A 114 39.785 -21.768 -26.522 1.00 11.12 O ATOM 1729 CB ALA A 114 38.342 -19.391 -28.182 1.00 73.03 C ATOM 0 H ALA A 114 37.103 -20.934 -29.692 1.00 1.03 H new ATOM 0 HA ALA A 114 39.851 -20.754 -28.849 1.00 1.30 H new ATOM 0 HB1 ALA A 114 38.958 -18.966 -27.389 1.00 73.03 H new ATOM 0 HB2 ALA A 114 38.422 -18.772 -29.075 1.00 73.03 H new ATOM 0 HB3 ALA A 114 37.303 -19.424 -27.855 1.00 73.03 H new ATOM 1735 N LEU A 115 37.643 -22.282 -26.981 1.00 21.43 N ATOM 1736 CA LEU A 115 37.483 -23.137 -25.810 1.00 21.54 C ATOM 1737 C LEU A 115 38.571 -24.206 -25.763 1.00 35.01 C ATOM 1738 O LEU A 115 38.455 -25.252 -26.401 1.00 33.33 O ATOM 1739 CB LEU A 115 36.103 -23.798 -25.821 1.00 3.14 C ATOM 1740 CG LEU A 115 34.987 -23.033 -25.108 1.00 43.24 C ATOM 1741 CD1 LEU A 115 33.662 -23.765 -25.252 1.00 62.02 C ATOM 1742 CD2 LEU A 115 35.331 -22.832 -23.640 1.00 23.23 C ATOM 0 H LEU A 115 36.810 -22.207 -27.565 1.00 21.43 H new ATOM 0 HA LEU A 115 37.573 -22.513 -24.921 1.00 21.54 H new ATOM 0 HB2 LEU A 115 35.805 -23.953 -26.858 1.00 3.14 H new ATOM 0 HB3 LEU A 115 36.191 -24.783 -25.363 1.00 3.14 H new ATOM 0 HG LEU A 115 34.890 -22.053 -25.574 1.00 43.24 H new ATOM 0 HD11 LEU A 115 32.880 -23.206 -24.738 1.00 62.02 H new ATOM 0 HD12 LEU A 115 33.409 -23.856 -26.308 1.00 62.02 H new ATOM 0 HD13 LEU A 115 33.746 -24.759 -24.812 1.00 62.02 H new ATOM 0 HD21 LEU A 115 34.525 -22.286 -23.149 1.00 23.23 H new ATOM 0 HD22 LEU A 115 35.457 -23.802 -23.160 1.00 23.23 H new ATOM 0 HD23 LEU A 115 36.257 -22.263 -23.558 1.00 23.23 H new