USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 576 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 75 LYS NZ :NH3+ -156:sc= 0.771 (180deg=0) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.552 K(o=1.3,f=-5.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.417) USER MOD Single : A 28 SER OG : rot -160:sc= -0.0729 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.301 K(o=-0.3,f=-1.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -173:sc= 0 (180deg=-0.0343) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 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 THR OG1 : rot 22:sc= 0.538 USER MOD Single : A 68 THR OG1 : rot 73:sc= 0.753 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00039 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc=0.000576 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.399 3.865 -3.767 1.00 40.33 N ATOM 178 CA LYS A 13 -0.883 4.364 -5.049 1.00 11.33 C ATOM 179 C LYS A 13 -1.148 3.215 -6.016 1.00 63.02 C ATOM 180 O LYS A 13 -2.023 3.305 -6.879 1.00 23.10 O ATOM 181 CB LYS A 13 0.133 5.333 -5.659 1.00 74.12 C ATOM 182 CG LYS A 13 0.939 4.733 -6.797 1.00 23.21 C ATOM 183 CD LYS A 13 2.129 5.606 -7.159 1.00 14.21 C ATOM 184 CE LYS A 13 2.234 5.808 -8.663 1.00 13.41 C ATOM 185 NZ LYS A 13 1.479 7.010 -9.116 1.00 64.32 N ATOM 0 HA LYS A 13 -1.821 4.892 -4.874 1.00 11.33 H new ATOM 0 HB2 LYS A 13 -0.393 6.215 -6.023 1.00 74.12 H new ATOM 0 HB3 LYS A 13 0.816 5.669 -4.879 1.00 74.12 H new ATOM 0 HG2 LYS A 13 1.288 3.740 -6.513 1.00 23.21 H new ATOM 0 HG3 LYS A 13 0.299 4.608 -7.671 1.00 23.21 H new ATOM 0 HD2 LYS A 13 2.035 6.574 -6.666 1.00 14.21 H new ATOM 0 HD3 LYS A 13 3.045 5.147 -6.787 1.00 14.21 H new ATOM 0 HE2 LYS A 13 3.282 5.911 -8.943 1.00 13.41 H new ATOM 0 HE3 LYS A 13 1.852 4.925 -9.175 1.00 13.41 H new ATOM 0 HZ1 LYS A 13 1.576 7.113 -10.146 1.00 64.32 H new ATOM 0 HZ2 LYS A 13 0.474 6.901 -8.872 1.00 64.32 H new ATOM 0 HZ3 LYS A 13 1.860 7.856 -8.647 1.00 64.32 H new ATOM 199 N LEU A 14 -0.389 2.134 -5.866 1.00 15.11 N ATOM 200 CA LEU A 14 -0.543 0.966 -6.726 1.00 71.41 C ATOM 201 C LEU A 14 -1.877 0.272 -6.467 1.00 42.53 C ATOM 202 O LEU A 14 -2.613 -0.047 -7.400 1.00 43.44 O ATOM 203 CB LEU A 14 0.608 -0.015 -6.497 1.00 72.32 C ATOM 204 CG LEU A 14 1.862 0.213 -7.340 1.00 52.52 C ATOM 205 CD1 LEU A 14 1.525 0.160 -8.823 1.00 31.42 C ATOM 206 CD2 LEU A 14 2.509 1.544 -6.986 1.00 21.41 C ATOM 0 H LEU A 14 0.339 2.043 -5.157 1.00 15.11 H new ATOM 0 HA LEU A 14 -0.525 1.303 -7.762 1.00 71.41 H new ATOM 0 HB2 LEU A 14 0.890 0.026 -5.445 1.00 72.32 H new ATOM 0 HB3 LEU A 14 0.243 -1.024 -6.690 1.00 72.32 H new ATOM 0 HG LEU A 14 2.573 -0.583 -7.121 1.00 52.52 H new ATOM 0 HD11 LEU A 14 2.430 0.324 -9.408 1.00 31.42 H new ATOM 0 HD12 LEU A 14 1.108 -0.817 -9.067 1.00 31.42 H new ATOM 0 HD13 LEU A 14 0.795 0.935 -9.058 1.00 31.42 H new ATOM 0 HD21 LEU A 14 3.400 1.689 -7.596 1.00 21.41 H new ATOM 0 HD22 LEU A 14 1.804 2.353 -7.176 1.00 21.41 H new ATOM 0 HD23 LEU A 14 2.787 1.545 -5.932 1.00 21.41 H new ATOM 218 N TYR A 15 -2.182 0.043 -5.194 1.00 54.31 N ATOM 219 CA TYR A 15 -3.427 -0.613 -4.813 1.00 2.12 C ATOM 220 C TYR A 15 -4.634 0.181 -5.306 1.00 43.31 C ATOM 221 O TYR A 15 -5.489 -0.345 -6.019 1.00 21.10 O ATOM 222 CB TYR A 15 -3.497 -0.777 -3.294 1.00 2.41 C ATOM 223 CG TYR A 15 -4.827 -1.301 -2.802 1.00 44.13 C ATOM 224 CD1 TYR A 15 -5.881 -0.437 -2.536 1.00 12.33 C ATOM 225 CD2 TYR A 15 -5.030 -2.662 -2.604 1.00 54.43 C ATOM 226 CE1 TYR A 15 -7.097 -0.910 -2.086 1.00 75.53 C ATOM 227 CE2 TYR A 15 -6.244 -3.145 -2.156 1.00 1.04 C ATOM 228 CZ TYR A 15 -7.274 -2.265 -1.897 1.00 52.34 C ATOM 229 OH TYR A 15 -8.485 -2.742 -1.450 1.00 13.11 O ATOM 0 H TYR A 15 -1.584 0.302 -4.409 1.00 54.31 H new ATOM 0 HA TYR A 15 -3.447 -1.598 -5.280 1.00 2.12 H new ATOM 0 HB2 TYR A 15 -2.707 -1.457 -2.974 1.00 2.41 H new ATOM 0 HB3 TYR A 15 -3.299 0.186 -2.824 1.00 2.41 H new ATOM 0 HD1 TYR A 15 -5.747 0.624 -2.684 1.00 12.33 H new ATOM 0 HD2 TYR A 15 -4.225 -3.353 -2.804 1.00 54.43 H new ATOM 0 HE1 TYR A 15 -7.905 -0.223 -1.883 1.00 75.53 H new ATOM 0 HE2 TYR A 15 -6.386 -4.206 -2.009 1.00 1.04 H new ATOM 0 HH TYR A 15 -8.443 -3.718 -1.371 1.00 13.11 H new ATOM 239 N LYS A 16 -4.696 1.451 -4.920 1.00 52.32 N ATOM 240 CA LYS A 16 -5.796 2.320 -5.323 1.00 2.25 C ATOM 241 C LYS A 16 -5.845 2.468 -6.840 1.00 52.10 C ATOM 242 O LYS A 16 -6.863 2.873 -7.401 1.00 71.31 O ATOM 243 CB LYS A 16 -5.649 3.697 -4.670 1.00 71.15 C ATOM 244 CG LYS A 16 -4.627 4.588 -5.353 1.00 71.10 C ATOM 245 CD LYS A 16 -5.296 5.710 -6.129 1.00 23.33 C ATOM 246 CE LYS A 16 -4.333 6.859 -6.388 1.00 12.33 C ATOM 247 NZ LYS A 16 -4.737 7.665 -7.574 1.00 62.52 N ATOM 0 H LYS A 16 -3.998 1.902 -4.329 1.00 52.32 H new ATOM 0 HA LYS A 16 -6.728 1.863 -4.990 1.00 2.25 H new ATOM 0 HB2 LYS A 16 -6.617 4.198 -4.676 1.00 71.15 H new ATOM 0 HB3 LYS A 16 -5.364 3.566 -3.626 1.00 71.15 H new ATOM 0 HG2 LYS A 16 -3.955 5.011 -4.606 1.00 71.10 H new ATOM 0 HG3 LYS A 16 -4.016 3.990 -6.030 1.00 71.10 H new ATOM 0 HD2 LYS A 16 -5.669 5.325 -7.078 1.00 23.33 H new ATOM 0 HD3 LYS A 16 -6.159 6.075 -5.572 1.00 23.33 H new ATOM 0 HE2 LYS A 16 -4.290 7.502 -5.509 1.00 12.33 H new ATOM 0 HE3 LYS A 16 -3.329 6.464 -6.542 1.00 12.33 H new ATOM 0 HZ1 LYS A 16 -4.056 8.438 -7.717 1.00 62.52 H new ATOM 0 HZ2 LYS A 16 -4.753 7.057 -8.418 1.00 62.52 H new ATOM 0 HZ3 LYS A 16 -5.685 8.064 -7.416 1.00 62.52 H new ATOM 261 N ASP A 17 -4.740 2.136 -7.499 1.00 21.33 N ATOM 262 CA ASP A 17 -4.658 2.230 -8.951 1.00 72.05 C ATOM 263 C ASP A 17 -5.228 0.976 -9.610 1.00 23.24 C ATOM 264 O ASP A 17 -5.662 1.010 -10.760 1.00 64.34 O ATOM 265 CB ASP A 17 -3.207 2.437 -9.390 1.00 72.01 C ATOM 266 CG ASP A 17 -2.837 3.903 -9.489 1.00 55.31 C ATOM 267 OD1 ASP A 17 -3.411 4.714 -8.731 1.00 2.10 O ATOM 268 OD2 ASP A 17 -1.972 4.242 -10.324 1.00 62.23 O ATOM 0 H ASP A 17 -3.888 1.799 -7.050 1.00 21.33 H new ATOM 0 HA ASP A 17 -5.251 3.088 -9.269 1.00 72.05 H new ATOM 0 HB2 ASP A 17 -2.542 1.944 -8.681 1.00 72.01 H new ATOM 0 HB3 ASP A 17 -3.051 1.960 -10.357 1.00 72.01 H new ATOM 273 N GLY A 18 -5.221 -0.129 -8.871 1.00 4.43 N ATOM 274 CA GLY A 18 -5.737 -1.378 -9.401 1.00 31.42 C ATOM 275 C GLY A 18 -4.699 -2.483 -9.396 1.00 1.43 C ATOM 276 O GLY A 18 -4.537 -3.196 -10.387 1.00 0.13 O ATOM 0 H GLY A 18 -4.868 -0.182 -7.916 1.00 4.43 H new ATOM 0 HA2 GLY A 18 -6.599 -1.691 -8.812 1.00 31.42 H new ATOM 0 HA3 GLY A 18 -6.089 -1.219 -10.420 1.00 31.42 H new ATOM 280 N VAL A 19 -3.992 -2.625 -8.279 1.00 73.14 N ATOM 281 CA VAL A 19 -2.964 -3.650 -8.151 1.00 23.41 C ATOM 282 C VAL A 19 -3.249 -4.569 -6.969 1.00 62.44 C ATOM 283 O VAL A 19 -3.565 -4.124 -5.866 1.00 64.21 O ATOM 284 CB VAL A 19 -1.567 -3.025 -7.976 1.00 24.41 C ATOM 285 CG1 VAL A 19 -0.502 -4.109 -7.912 1.00 4.55 C ATOM 286 CG2 VAL A 19 -1.277 -2.047 -9.103 1.00 2.35 C ATOM 0 H VAL A 19 -4.113 -2.043 -7.450 1.00 73.14 H new ATOM 0 HA VAL A 19 -2.981 -4.232 -9.072 1.00 23.41 H new ATOM 0 HB VAL A 19 -1.549 -2.475 -7.035 1.00 24.41 H new ATOM 0 HG11 VAL A 19 0.478 -3.649 -7.788 1.00 4.55 H new ATOM 0 HG12 VAL A 19 -0.703 -4.767 -7.067 1.00 4.55 H new ATOM 0 HG13 VAL A 19 -0.517 -4.689 -8.835 1.00 4.55 H new ATOM 0 HG21 VAL A 19 -0.286 -1.615 -8.964 1.00 2.35 H new ATOM 0 HG22 VAL A 19 -1.313 -2.571 -10.058 1.00 2.35 H new ATOM 0 HG23 VAL A 19 -2.023 -1.253 -9.097 1.00 2.35 H new ATOM 296 N PRO A 20 -3.136 -5.886 -7.201 1.00 51.43 N ATOM 297 CA PRO A 20 -3.377 -6.897 -6.167 1.00 44.41 C ATOM 298 C PRO A 20 -2.296 -6.894 -5.093 1.00 64.40 C ATOM 299 O PRO A 20 -1.143 -6.553 -5.358 1.00 32.15 O ATOM 300 CB PRO A 20 -3.353 -8.214 -6.947 1.00 33.22 C ATOM 301 CG PRO A 20 -2.515 -7.930 -8.146 1.00 71.02 C ATOM 302 CD PRO A 20 -2.764 -6.488 -8.493 1.00 50.15 C ATOM 0 HA PRO A 20 -4.310 -6.720 -5.632 1.00 44.41 H new ATOM 0 HB2 PRO A 20 -2.928 -9.020 -6.349 1.00 33.22 H new ATOM 0 HB3 PRO A 20 -4.359 -8.524 -7.231 1.00 33.22 H new ATOM 0 HG2 PRO A 20 -1.460 -8.104 -7.935 1.00 71.02 H new ATOM 0 HG3 PRO A 20 -2.786 -8.583 -8.975 1.00 71.02 H new ATOM 0 HD2 PRO A 20 -1.876 -6.017 -8.915 1.00 50.15 H new ATOM 0 HD3 PRO A 20 -3.561 -6.384 -9.229 1.00 50.15 H new ATOM 310 N VAL A 21 -2.674 -7.280 -3.878 1.00 33.41 N ATOM 311 CA VAL A 21 -1.737 -7.324 -2.763 1.00 41.21 C ATOM 312 C VAL A 21 -0.486 -8.116 -3.128 1.00 30.33 C ATOM 313 O VAL A 21 0.636 -7.679 -2.870 1.00 2.41 O ATOM 314 CB VAL A 21 -2.381 -7.952 -1.512 1.00 33.23 C ATOM 315 CG1 VAL A 21 -1.400 -7.952 -0.349 1.00 5.22 C ATOM 316 CG2 VAL A 21 -3.657 -7.211 -1.142 1.00 14.41 C ATOM 0 H VAL A 21 -3.624 -7.567 -3.642 1.00 33.41 H new ATOM 0 HA VAL A 21 -1.460 -6.293 -2.542 1.00 41.21 H new ATOM 0 HB VAL A 21 -2.640 -8.986 -1.738 1.00 33.23 H new ATOM 0 HG11 VAL A 21 -1.872 -8.399 0.526 1.00 5.22 H new ATOM 0 HG12 VAL A 21 -0.516 -8.529 -0.619 1.00 5.22 H new ATOM 0 HG13 VAL A 21 -1.108 -6.927 -0.119 1.00 5.22 H new ATOM 0 HG21 VAL A 21 -4.099 -7.667 -0.256 1.00 14.41 H new ATOM 0 HG22 VAL A 21 -3.424 -6.167 -0.934 1.00 14.41 H new ATOM 0 HG23 VAL A 21 -4.364 -7.267 -1.970 1.00 14.41 H new ATOM 326 N LYS A 22 -0.686 -9.283 -3.729 1.00 42.45 N ATOM 327 CA LYS A 22 0.425 -10.137 -4.132 1.00 42.53 C ATOM 328 C LYS A 22 1.426 -9.362 -4.983 1.00 60.34 C ATOM 329 O LYS A 22 2.637 -9.534 -4.844 1.00 71.23 O ATOM 330 CB LYS A 22 -0.093 -11.349 -4.912 1.00 22.24 C ATOM 331 CG LYS A 22 -0.825 -10.983 -6.190 1.00 15.23 C ATOM 332 CD LYS A 22 -1.986 -11.925 -6.458 1.00 50.24 C ATOM 333 CE LYS A 22 -1.567 -13.089 -7.342 1.00 4.42 C ATOM 334 NZ LYS A 22 -2.732 -13.714 -8.027 1.00 23.22 N ATOM 0 H LYS A 22 -1.608 -9.660 -3.948 1.00 42.45 H new ATOM 0 HA LYS A 22 0.931 -10.482 -3.230 1.00 42.53 H new ATOM 0 HB2 LYS A 22 0.747 -11.998 -5.158 1.00 22.24 H new ATOM 0 HB3 LYS A 22 -0.763 -11.923 -4.272 1.00 22.24 H new ATOM 0 HG2 LYS A 22 -1.195 -9.960 -6.118 1.00 15.23 H new ATOM 0 HG3 LYS A 22 -0.130 -11.013 -7.029 1.00 15.23 H new ATOM 0 HD2 LYS A 22 -2.373 -12.306 -5.513 1.00 50.24 H new ATOM 0 HD3 LYS A 22 -2.797 -11.377 -6.937 1.00 50.24 H new ATOM 0 HE2 LYS A 22 -0.852 -12.740 -8.087 1.00 4.42 H new ATOM 0 HE3 LYS A 22 -1.057 -13.839 -6.737 1.00 4.42 H new ATOM 0 HZ1 LYS A 22 -2.404 -14.503 -8.620 1.00 23.22 H new ATOM 0 HZ2 LYS A 22 -3.402 -14.070 -7.316 1.00 23.22 H new ATOM 0 HZ3 LYS A 22 -3.204 -13.006 -8.624 1.00 23.22 H new ATOM 348 N GLU A 23 0.912 -8.509 -5.863 1.00 10.12 N ATOM 349 CA GLU A 23 1.762 -7.708 -6.736 1.00 10.23 C ATOM 350 C GLU A 23 2.368 -6.532 -5.974 1.00 14.32 C ATOM 351 O GLU A 23 3.566 -6.263 -6.075 1.00 51.45 O ATOM 352 CB GLU A 23 0.962 -7.195 -7.935 1.00 3.32 C ATOM 353 CG GLU A 23 1.776 -6.336 -8.888 1.00 3.10 C ATOM 354 CD GLU A 23 1.289 -6.431 -10.320 1.00 44.44 C ATOM 355 OE1 GLU A 23 0.092 -6.167 -10.558 1.00 13.50 O ATOM 356 OE2 GLU A 23 2.104 -6.771 -11.203 1.00 52.34 O ATOM 0 H GLU A 23 -0.088 -8.355 -5.990 1.00 10.12 H new ATOM 0 HA GLU A 23 2.572 -8.343 -7.095 1.00 10.23 H new ATOM 0 HB2 GLU A 23 0.558 -8.047 -8.482 1.00 3.32 H new ATOM 0 HB3 GLU A 23 0.112 -6.616 -7.573 1.00 3.32 H new ATOM 0 HG2 GLU A 23 1.733 -5.297 -8.562 1.00 3.10 H new ATOM 0 HG3 GLU A 23 2.822 -6.641 -8.843 1.00 3.10 H new ATOM 363 N ILE A 24 1.531 -5.833 -5.214 1.00 51.42 N ATOM 364 CA ILE A 24 1.983 -4.687 -4.436 1.00 31.24 C ATOM 365 C ILE A 24 3.154 -5.062 -3.534 1.00 11.23 C ATOM 366 O ILE A 24 4.089 -4.281 -3.355 1.00 40.33 O ATOM 367 CB ILE A 24 0.847 -4.111 -3.570 1.00 11.23 C ATOM 368 CG1 ILE A 24 -0.335 -3.699 -4.450 1.00 1.40 C ATOM 369 CG2 ILE A 24 1.348 -2.925 -2.759 1.00 4.41 C ATOM 370 CD1 ILE A 24 -1.661 -3.709 -3.724 1.00 32.34 C ATOM 0 H ILE A 24 0.537 -6.041 -5.121 1.00 51.42 H new ATOM 0 HA ILE A 24 2.305 -3.929 -5.150 1.00 31.24 H new ATOM 0 HB ILE A 24 0.510 -4.883 -2.878 1.00 11.23 H new ATOM 0 HG12 ILE A 24 -0.153 -2.699 -4.844 1.00 1.40 H new ATOM 0 HG13 ILE A 24 -0.393 -4.373 -5.305 1.00 1.40 H new ATOM 0 HG21 ILE A 24 0.534 -2.529 -2.152 1.00 4.41 H new ATOM 0 HG22 ILE A 24 2.162 -3.246 -2.109 1.00 4.41 H new ATOM 0 HG23 ILE A 24 1.708 -2.149 -3.434 1.00 4.41 H new ATOM 0 HD11 ILE A 24 -2.453 -3.407 -4.409 1.00 32.34 H new ATOM 0 HD12 ILE A 24 -1.865 -4.714 -3.354 1.00 32.34 H new ATOM 0 HD13 ILE A 24 -1.622 -3.014 -2.885 1.00 32.34 H new ATOM 382 N ALA A 25 3.097 -6.263 -2.969 1.00 20.14 N ATOM 383 CA ALA A 25 4.155 -6.744 -2.087 1.00 13.41 C ATOM 384 C ALA A 25 5.507 -6.722 -2.791 1.00 42.43 C ATOM 385 O ALA A 25 6.510 -6.294 -2.220 1.00 34.13 O ATOM 386 CB ALA A 25 3.835 -8.148 -1.597 1.00 33.32 C ATOM 0 H ALA A 25 2.330 -6.921 -3.106 1.00 20.14 H new ATOM 0 HA ALA A 25 4.211 -6.076 -1.228 1.00 13.41 H new ATOM 0 HB1 ALA A 25 4.633 -8.495 -0.940 1.00 33.32 H new ATOM 0 HB2 ALA A 25 2.893 -8.136 -1.049 1.00 33.32 H new ATOM 0 HB3 ALA A 25 3.750 -8.821 -2.450 1.00 33.32 H new ATOM 392 N LYS A 26 5.529 -7.188 -4.035 1.00 3.30 N ATOM 393 CA LYS A 26 6.758 -7.223 -4.818 1.00 11.53 C ATOM 394 C LYS A 26 7.196 -5.813 -5.207 1.00 64.21 C ATOM 395 O LYS A 26 8.389 -5.537 -5.335 1.00 0.11 O ATOM 396 CB LYS A 26 6.563 -8.072 -6.076 1.00 13.31 C ATOM 397 CG LYS A 26 5.855 -9.390 -5.816 1.00 54.13 C ATOM 398 CD LYS A 26 6.579 -10.215 -4.767 1.00 21.12 C ATOM 399 CE LYS A 26 7.976 -10.601 -5.228 1.00 1.34 C ATOM 400 NZ LYS A 26 9.030 -10.021 -4.350 1.00 10.42 N ATOM 0 H LYS A 26 4.708 -7.547 -4.523 1.00 3.30 H new ATOM 0 HA LYS A 26 7.538 -7.671 -4.202 1.00 11.53 H new ATOM 0 HB2 LYS A 26 5.990 -7.499 -6.806 1.00 13.31 H new ATOM 0 HB3 LYS A 26 7.537 -8.274 -6.522 1.00 13.31 H new ATOM 0 HG2 LYS A 26 4.834 -9.197 -5.487 1.00 54.13 H new ATOM 0 HG3 LYS A 26 5.789 -9.958 -6.744 1.00 54.13 H new ATOM 0 HD2 LYS A 26 6.645 -9.648 -3.838 1.00 21.12 H new ATOM 0 HD3 LYS A 26 6.004 -11.116 -4.551 1.00 21.12 H new ATOM 0 HE2 LYS A 26 8.068 -11.687 -5.237 1.00 1.34 H new ATOM 0 HE3 LYS A 26 8.128 -10.259 -6.252 1.00 1.34 H new ATOM 0 HZ1 LYS A 26 9.919 -10.544 -4.483 1.00 10.42 H new ATOM 0 HZ2 LYS A 26 9.176 -9.021 -4.597 1.00 10.42 H new ATOM 0 HZ3 LYS A 26 8.732 -10.092 -3.356 1.00 10.42 H new ATOM 414 N ARG A 27 6.224 -4.927 -5.390 1.00 32.00 N ATOM 415 CA ARG A 27 6.509 -3.546 -5.763 1.00 54.23 C ATOM 416 C ARG A 27 7.203 -2.807 -4.623 1.00 24.42 C ATOM 417 O ARG A 27 8.236 -2.167 -4.821 1.00 51.23 O ATOM 418 CB ARG A 27 5.217 -2.821 -6.143 1.00 1.12 C ATOM 419 CG ARG A 27 4.788 -3.054 -7.583 1.00 1.02 C ATOM 420 CD ARG A 27 3.329 -3.470 -7.668 1.00 52.43 C ATOM 421 NE ARG A 27 2.719 -3.071 -8.934 1.00 45.41 N ATOM 422 CZ ARG A 27 3.046 -3.605 -10.107 1.00 13.22 C ATOM 423 NH1 ARG A 27 3.971 -4.552 -10.174 1.00 54.14 N ATOM 424 NH2 ARG A 27 2.447 -3.189 -11.215 1.00 14.30 N ATOM 0 H ARG A 27 5.232 -5.140 -5.286 1.00 32.00 H new ATOM 0 HA ARG A 27 7.177 -3.559 -6.624 1.00 54.23 H new ATOM 0 HB2 ARG A 27 4.418 -3.148 -5.477 1.00 1.12 H new ATOM 0 HB3 ARG A 27 5.350 -1.751 -5.981 1.00 1.12 H new ATOM 0 HG2 ARG A 27 4.942 -2.143 -8.162 1.00 1.02 H new ATOM 0 HG3 ARG A 27 5.414 -3.826 -8.030 1.00 1.02 H new ATOM 0 HD2 ARG A 27 3.253 -4.551 -7.554 1.00 52.43 H new ATOM 0 HD3 ARG A 27 2.776 -3.023 -6.842 1.00 52.43 H new ATOM 0 HE ARG A 27 2.004 -2.344 -8.917 1.00 45.41 H new ATOM 0 HH11 ARG A 27 4.434 -4.873 -9.324 1.00 54.14 H new ATOM 0 HH12 ARG A 27 4.219 -4.959 -11.075 1.00 54.14 H new ATOM 0 HH21 ARG A 27 1.736 -2.460 -11.167 1.00 14.30 H new ATOM 0 HH22 ARG A 27 2.698 -3.599 -12.115 1.00 14.30 H new ATOM 438 N SER A 28 6.629 -2.901 -3.427 1.00 61.12 N ATOM 439 CA SER A 28 7.190 -2.239 -2.256 1.00 13.42 C ATOM 440 C SER A 28 8.190 -3.145 -1.546 1.00 22.33 C ATOM 441 O SER A 28 8.742 -2.785 -0.506 1.00 52.13 O ATOM 442 CB SER A 28 6.074 -1.834 -1.290 1.00 4.15 C ATOM 443 OG SER A 28 4.991 -2.745 -1.352 1.00 31.23 O ATOM 0 H SER A 28 5.776 -3.429 -3.244 1.00 61.12 H new ATOM 0 HA SER A 28 7.713 -1.344 -2.591 1.00 13.42 H new ATOM 0 HB2 SER A 28 6.465 -1.797 -0.273 1.00 4.15 H new ATOM 0 HB3 SER A 28 5.724 -0.831 -1.534 1.00 4.15 H new ATOM 0 HG SER A 28 4.185 -2.320 -0.991 1.00 31.23 H new ATOM 449 N ASN A 29 8.418 -4.324 -2.114 1.00 62.14 N ATOM 450 CA ASN A 29 9.351 -5.285 -1.536 1.00 52.42 C ATOM 451 C ASN A 29 8.942 -5.650 -0.112 1.00 51.43 C ATOM 452 O ASN A 29 9.782 -6.011 0.711 1.00 34.30 O ATOM 453 CB ASN A 29 10.770 -4.715 -1.541 1.00 31.42 C ATOM 454 CG ASN A 29 11.785 -5.694 -2.100 1.00 34.52 C ATOM 455 OD1 ASN A 29 11.859 -5.905 -3.310 1.00 22.32 O ATOM 456 ND2 ASN A 29 12.573 -6.297 -1.216 1.00 51.02 N ATOM 0 H ASN A 29 7.969 -4.638 -2.975 1.00 62.14 H new ATOM 0 HA ASN A 29 9.328 -6.189 -2.145 1.00 52.42 H new ATOM 0 HB2 ASN A 29 10.789 -3.799 -2.132 1.00 31.42 H new ATOM 0 HB3 ASN A 29 11.053 -4.444 -0.524 1.00 31.42 H new ATOM 0 HD21 ASN A 29 13.275 -6.966 -1.532 1.00 51.02 H new ATOM 0 HD22 ASN A 29 12.476 -6.091 -0.222 1.00 51.02 H new ATOM 463 N ASN A 30 7.647 -5.555 0.169 1.00 14.32 N ATOM 464 CA ASN A 30 7.126 -5.875 1.494 1.00 41.31 C ATOM 465 C ASN A 30 6.410 -7.222 1.485 1.00 2.33 C ATOM 466 O ASN A 30 6.327 -7.886 0.451 1.00 23.42 O ATOM 467 CB ASN A 30 6.170 -4.779 1.967 1.00 54.00 C ATOM 468 CG ASN A 30 6.857 -3.753 2.848 1.00 12.51 C ATOM 469 OD1 ASN A 30 7.844 -4.055 3.518 1.00 44.03 O ATOM 470 ND2 ASN A 30 6.336 -2.531 2.850 1.00 72.51 N ATOM 0 H ASN A 30 6.939 -5.259 -0.502 1.00 14.32 H new ATOM 0 HA ASN A 30 7.968 -5.935 2.184 1.00 41.31 H new ATOM 0 HB2 ASN A 30 5.738 -4.279 1.100 1.00 54.00 H new ATOM 0 HB3 ASN A 30 5.345 -5.232 2.517 1.00 54.00 H new ATOM 0 HD21 ASN A 30 6.755 -1.799 3.423 1.00 72.51 H new ATOM 0 HD22 ASN A 30 5.517 -2.325 2.279 1.00 72.51 H new ATOM 477 N SER A 31 5.893 -7.618 2.643 1.00 31.52 N ATOM 478 CA SER A 31 5.186 -8.887 2.771 1.00 10.43 C ATOM 479 C SER A 31 3.677 -8.681 2.673 1.00 1.03 C ATOM 480 O SER A 31 3.175 -7.580 2.895 1.00 52.53 O ATOM 481 CB SER A 31 5.535 -9.558 4.101 1.00 42.52 C ATOM 482 OG SER A 31 6.368 -10.687 3.899 1.00 74.41 O ATOM 0 H SER A 31 5.950 -7.078 3.507 1.00 31.52 H new ATOM 0 HA SER A 31 5.501 -9.534 1.952 1.00 10.43 H new ATOM 0 HB2 SER A 31 6.038 -8.843 4.752 1.00 42.52 H new ATOM 0 HB3 SER A 31 4.620 -9.863 4.609 1.00 42.52 H new ATOM 0 HG SER A 31 6.578 -11.097 4.764 1.00 74.41 H new ATOM 488 N MET A 32 2.961 -9.749 2.338 1.00 0.32 N ATOM 489 CA MET A 32 1.510 -9.686 2.211 1.00 65.42 C ATOM 490 C MET A 32 0.876 -9.145 3.488 1.00 31.02 C ATOM 491 O MET A 32 -0.149 -8.464 3.442 1.00 23.41 O ATOM 492 CB MET A 32 0.944 -11.072 1.894 1.00 32.51 C ATOM 493 CG MET A 32 -0.196 -11.048 0.889 1.00 4.42 C ATOM 494 SD MET A 32 -1.404 -12.353 1.177 1.00 73.55 S ATOM 495 CE MET A 32 -0.393 -13.812 0.939 1.00 71.33 C ATOM 0 H MET A 32 3.362 -10.668 2.150 1.00 0.32 H new ATOM 0 HA MET A 32 1.271 -9.008 1.392 1.00 65.42 H new ATOM 0 HB2 MET A 32 1.745 -11.703 1.508 1.00 32.51 H new ATOM 0 HB3 MET A 32 0.593 -11.532 2.818 1.00 32.51 H new ATOM 0 HG2 MET A 32 -0.695 -10.080 0.935 1.00 4.42 H new ATOM 0 HG3 MET A 32 0.210 -11.150 -0.117 1.00 4.42 H new ATOM 0 HE1 MET A 32 -1.025 -14.700 0.961 1.00 71.33 H new ATOM 0 HE2 MET A 32 0.113 -13.751 -0.024 1.00 71.33 H new ATOM 0 HE3 MET A 32 0.349 -13.875 1.735 1.00 71.33 H new ATOM 505 N SER A 33 1.491 -9.450 4.626 1.00 42.04 N ATOM 506 CA SER A 33 0.984 -8.998 5.915 1.00 3.00 C ATOM 507 C SER A 33 1.356 -7.539 6.164 1.00 3.52 C ATOM 508 O SER A 33 0.706 -6.844 6.946 1.00 43.33 O ATOM 509 CB SER A 33 1.535 -9.875 7.041 1.00 73.21 C ATOM 510 OG SER A 33 0.521 -10.205 7.974 1.00 73.53 O ATOM 0 H SER A 33 2.342 -10.009 4.681 1.00 42.04 H new ATOM 0 HA SER A 33 -0.103 -9.081 5.898 1.00 3.00 H new ATOM 0 HB2 SER A 33 1.958 -10.788 6.621 1.00 73.21 H new ATOM 0 HB3 SER A 33 2.345 -9.353 7.550 1.00 73.21 H new ATOM 0 HG SER A 33 0.899 -10.767 8.682 1.00 73.53 H new ATOM 516 N THR A 34 2.408 -7.081 5.492 1.00 42.31 N ATOM 517 CA THR A 34 2.870 -5.707 5.639 1.00 35.44 C ATOM 518 C THR A 34 2.091 -4.765 4.728 1.00 10.12 C ATOM 519 O THR A 34 1.583 -3.734 5.170 1.00 20.35 O ATOM 520 CB THR A 34 4.372 -5.581 5.325 1.00 24.11 C ATOM 521 OG1 THR A 34 5.108 -6.576 6.046 1.00 73.44 O ATOM 522 CG2 THR A 34 4.888 -4.197 5.692 1.00 61.24 C ATOM 0 H THR A 34 2.956 -7.643 4.840 1.00 42.31 H new ATOM 0 HA THR A 34 2.700 -5.427 6.679 1.00 35.44 H new ATOM 0 HB THR A 34 4.510 -5.731 4.254 1.00 24.11 H new ATOM 0 HG1 THR A 34 6.062 -6.491 5.840 1.00 73.44 H new ATOM 0 HG21 THR A 34 5.951 -4.132 5.461 1.00 61.24 H new ATOM 0 HG22 THR A 34 4.346 -3.443 5.121 1.00 61.24 H new ATOM 0 HG23 THR A 34 4.737 -4.023 6.757 1.00 61.24 H new ATOM 530 N VAL A 35 2.000 -5.124 3.451 1.00 63.54 N ATOM 531 CA VAL A 35 1.282 -4.313 2.477 1.00 1.21 C ATOM 532 C VAL A 35 -0.200 -4.221 2.823 1.00 64.11 C ATOM 533 O VAL A 35 -0.744 -3.130 2.988 1.00 73.01 O ATOM 534 CB VAL A 35 1.431 -4.881 1.053 1.00 24.32 C ATOM 535 CG1 VAL A 35 0.366 -4.304 0.133 1.00 71.15 C ATOM 536 CG2 VAL A 35 2.825 -4.599 0.511 1.00 62.32 C ATOM 0 H VAL A 35 2.416 -5.973 3.067 1.00 63.54 H new ATOM 0 HA VAL A 35 1.722 -3.317 2.510 1.00 1.21 H new ATOM 0 HB VAL A 35 1.293 -5.961 1.095 1.00 24.32 H new ATOM 0 HG11 VAL A 35 0.488 -4.717 -0.868 1.00 71.15 H new ATOM 0 HG12 VAL A 35 -0.622 -4.561 0.514 1.00 71.15 H new ATOM 0 HG13 VAL A 35 0.468 -3.220 0.093 1.00 71.15 H new ATOM 0 HG21 VAL A 35 2.913 -5.007 -0.496 1.00 62.32 H new ATOM 0 HG22 VAL A 35 2.993 -3.522 0.482 1.00 62.32 H new ATOM 0 HG23 VAL A 35 3.568 -5.065 1.158 1.00 62.32 H new ATOM 546 N TYR A 36 -0.848 -5.376 2.932 1.00 42.45 N ATOM 547 CA TYR A 36 -2.269 -5.427 3.256 1.00 63.44 C ATOM 548 C TYR A 36 -2.573 -4.601 4.502 1.00 53.54 C ATOM 549 O TYR A 36 -3.572 -3.884 4.558 1.00 74.35 O ATOM 550 CB TYR A 36 -2.712 -6.875 3.471 1.00 55.14 C ATOM 551 CG TYR A 36 -4.202 -7.081 3.317 1.00 71.12 C ATOM 552 CD1 TYR A 36 -4.875 -6.620 2.192 1.00 31.21 C ATOM 553 CD2 TYR A 36 -4.937 -7.739 4.296 1.00 20.04 C ATOM 554 CE1 TYR A 36 -6.237 -6.806 2.048 1.00 2.32 C ATOM 555 CE2 TYR A 36 -6.299 -7.930 4.160 1.00 43.32 C ATOM 556 CZ TYR A 36 -6.943 -7.462 3.034 1.00 15.21 C ATOM 557 OH TYR A 36 -8.299 -7.649 2.893 1.00 40.11 O ATOM 0 H TYR A 36 -0.412 -6.289 2.801 1.00 42.45 H new ATOM 0 HA TYR A 36 -2.823 -5.005 2.417 1.00 63.44 H new ATOM 0 HB2 TYR A 36 -2.190 -7.515 2.760 1.00 55.14 H new ATOM 0 HB3 TYR A 36 -2.411 -7.194 4.469 1.00 55.14 H new ATOM 0 HD1 TYR A 36 -4.324 -6.108 1.417 1.00 31.21 H new ATOM 0 HD2 TYR A 36 -4.435 -8.107 5.178 1.00 20.04 H new ATOM 0 HE1 TYR A 36 -6.745 -6.440 1.168 1.00 2.32 H new ATOM 0 HE2 TYR A 36 -6.855 -8.443 4.931 1.00 43.32 H new ATOM 0 HH TYR A 36 -8.646 -8.129 3.674 1.00 40.11 H new ATOM 567 N LYS A 37 -1.703 -4.705 5.500 1.00 11.25 N ATOM 568 CA LYS A 37 -1.874 -3.966 6.746 1.00 40.21 C ATOM 569 C LYS A 37 -1.870 -2.462 6.492 1.00 74.14 C ATOM 570 O LYS A 37 -2.526 -1.701 7.203 1.00 63.31 O ATOM 571 CB LYS A 37 -0.765 -4.330 7.735 1.00 24.23 C ATOM 572 CG LYS A 37 -1.143 -5.450 8.689 1.00 22.13 C ATOM 573 CD LYS A 37 -0.075 -5.664 9.749 1.00 1.43 C ATOM 574 CE LYS A 37 -0.639 -5.491 11.151 1.00 3.21 C ATOM 575 NZ LYS A 37 0.388 -4.986 12.103 1.00 14.25 N ATOM 0 H LYS A 37 -0.871 -5.294 5.471 1.00 11.25 H new ATOM 0 HA LYS A 37 -2.838 -4.242 7.173 1.00 40.21 H new ATOM 0 HB2 LYS A 37 0.125 -4.624 7.178 1.00 24.23 H new ATOM 0 HB3 LYS A 37 -0.501 -3.445 8.314 1.00 24.23 H new ATOM 0 HG2 LYS A 37 -2.092 -5.215 9.170 1.00 22.13 H new ATOM 0 HG3 LYS A 37 -1.290 -6.373 8.128 1.00 22.13 H new ATOM 0 HD2 LYS A 37 0.346 -6.664 9.646 1.00 1.43 H new ATOM 0 HD3 LYS A 37 0.740 -4.957 9.594 1.00 1.43 H new ATOM 0 HE2 LYS A 37 -1.479 -4.797 11.121 1.00 3.21 H new ATOM 0 HE3 LYS A 37 -1.026 -6.446 11.507 1.00 3.21 H new ATOM 0 HZ1 LYS A 37 -0.035 -4.881 13.047 1.00 14.25 H new ATOM 0 HZ2 LYS A 37 1.178 -5.660 12.151 1.00 14.25 H new ATOM 0 HZ3 LYS A 37 0.739 -4.063 11.777 1.00 14.25 H new ATOM 589 N ALA A 38 -1.131 -2.041 5.471 1.00 24.44 N ATOM 590 CA ALA A 38 -1.046 -0.628 5.121 1.00 22.45 C ATOM 591 C ALA A 38 -2.291 -0.174 4.367 1.00 5.53 C ATOM 592 O ALA A 38 -2.797 0.926 4.590 1.00 54.30 O ATOM 593 CB ALA A 38 0.203 -0.364 4.294 1.00 55.01 C ATOM 0 H ALA A 38 -0.583 -2.658 4.872 1.00 24.44 H new ATOM 0 HA ALA A 38 -0.984 -0.052 6.044 1.00 22.45 H new ATOM 0 HB1 ALA A 38 0.254 0.695 4.040 1.00 55.01 H new ATOM 0 HB2 ALA A 38 1.086 -0.642 4.870 1.00 55.01 H new ATOM 0 HB3 ALA A 38 0.165 -0.956 3.379 1.00 55.01 H new ATOM 599 N LEU A 39 -2.777 -1.026 3.472 1.00 53.02 N ATOM 600 CA LEU A 39 -3.963 -0.712 2.683 1.00 42.12 C ATOM 601 C LEU A 39 -5.180 -0.521 3.581 1.00 73.33 C ATOM 602 O LEU A 39 -5.900 0.470 3.465 1.00 34.21 O ATOM 603 CB LEU A 39 -4.234 -1.824 1.667 1.00 11.34 C ATOM 604 CG LEU A 39 -3.062 -2.205 0.762 1.00 11.55 C ATOM 605 CD1 LEU A 39 -3.370 -3.485 0.000 1.00 25.14 C ATOM 606 CD2 LEU A 39 -2.743 -1.073 -0.204 1.00 34.32 C ATOM 0 H LEU A 39 -2.369 -1.939 3.274 1.00 53.02 H new ATOM 0 HA LEU A 39 -3.778 0.221 2.151 1.00 42.12 H new ATOM 0 HB2 LEU A 39 -4.553 -2.714 2.209 1.00 11.34 H new ATOM 0 HB3 LEU A 39 -5.069 -1.518 1.037 1.00 11.34 H new ATOM 0 HG LEU A 39 -2.187 -2.380 1.388 1.00 11.55 H new ATOM 0 HD11 LEU A 39 -2.525 -3.741 -0.639 1.00 25.14 H new ATOM 0 HD12 LEU A 39 -3.549 -4.295 0.707 1.00 25.14 H new ATOM 0 HD13 LEU A 39 -4.258 -3.338 -0.615 1.00 25.14 H new ATOM 0 HD21 LEU A 39 -1.906 -1.362 -0.840 1.00 34.32 H new ATOM 0 HD22 LEU A 39 -3.616 -0.867 -0.824 1.00 34.32 H new ATOM 0 HD23 LEU A 39 -2.478 -0.178 0.359 1.00 34.32 H new ATOM 618 N GLU A 40 -5.404 -1.478 4.478 1.00 14.00 N ATOM 619 CA GLU A 40 -6.534 -1.412 5.397 1.00 42.05 C ATOM 620 C GLU A 40 -6.513 -0.113 6.195 1.00 1.12 C ATOM 621 O GLU A 40 -7.552 0.375 6.639 1.00 52.54 O ATOM 622 CB GLU A 40 -6.514 -2.610 6.349 1.00 72.21 C ATOM 623 CG GLU A 40 -5.234 -2.721 7.161 1.00 55.31 C ATOM 624 CD GLU A 40 -5.419 -3.518 8.437 1.00 44.03 C ATOM 625 OE1 GLU A 40 -6.521 -4.070 8.637 1.00 60.30 O ATOM 626 OE2 GLU A 40 -4.461 -3.592 9.234 1.00 23.21 O ATOM 0 H GLU A 40 -4.819 -2.306 4.587 1.00 14.00 H new ATOM 0 HA GLU A 40 -7.451 -1.439 4.808 1.00 42.05 H new ATOM 0 HB2 GLU A 40 -7.361 -2.536 7.031 1.00 72.21 H new ATOM 0 HB3 GLU A 40 -6.648 -3.525 5.771 1.00 72.21 H new ATOM 0 HG2 GLU A 40 -4.462 -3.191 6.552 1.00 55.31 H new ATOM 0 HG3 GLU A 40 -4.879 -1.721 7.410 1.00 55.31 H new ATOM 633 N LYS A 41 -5.320 0.444 6.375 1.00 12.25 N ATOM 634 CA LYS A 41 -5.160 1.689 7.120 1.00 43.55 C ATOM 635 C LYS A 41 -5.534 2.889 6.257 1.00 34.23 C ATOM 636 O LYS A 41 -6.213 3.809 6.716 1.00 74.34 O ATOM 637 CB LYS A 41 -3.718 1.830 7.613 1.00 12.50 C ATOM 638 CG LYS A 41 -3.596 1.884 9.125 1.00 23.01 C ATOM 639 CD LYS A 41 -3.576 0.491 9.733 1.00 61.13 C ATOM 640 CE LYS A 41 -4.983 -0.024 9.993 1.00 33.13 C ATOM 641 NZ LYS A 41 -5.087 -0.713 11.310 1.00 13.40 N ATOM 0 H LYS A 41 -4.449 0.053 6.015 1.00 12.25 H new ATOM 0 HA LYS A 41 -5.829 1.659 7.980 1.00 43.55 H new ATOM 0 HB2 LYS A 41 -3.131 0.991 7.239 1.00 12.50 H new ATOM 0 HB3 LYS A 41 -3.285 2.736 7.189 1.00 12.50 H new ATOM 0 HG2 LYS A 41 -2.684 2.415 9.399 1.00 23.01 H new ATOM 0 HG3 LYS A 41 -4.431 2.450 9.538 1.00 23.01 H new ATOM 0 HD2 LYS A 41 -3.055 -0.192 9.062 1.00 61.13 H new ATOM 0 HD3 LYS A 41 -3.015 0.509 10.668 1.00 61.13 H new ATOM 0 HE2 LYS A 41 -5.686 0.808 9.962 1.00 33.13 H new ATOM 0 HE3 LYS A 41 -5.270 -0.713 9.199 1.00 33.13 H new ATOM 0 HZ1 LYS A 41 -6.061 -1.049 11.450 1.00 13.40 H new ATOM 0 HZ2 LYS A 41 -4.435 -1.523 11.331 1.00 13.40 H new ATOM 0 HZ3 LYS A 41 -4.838 -0.048 12.070 1.00 13.40 H new ATOM 655 N LEU A 42 -5.087 2.876 5.006 1.00 35.25 N ATOM 656 CA LEU A 42 -5.377 3.965 4.079 1.00 64.24 C ATOM 657 C LEU A 42 -6.851 3.971 3.689 1.00 42.02 C ATOM 658 O LEU A 42 -7.512 5.008 3.741 1.00 53.12 O ATOM 659 CB LEU A 42 -4.507 3.838 2.827 1.00 53.21 C ATOM 660 CG LEU A 42 -3.028 4.186 2.999 1.00 41.55 C ATOM 661 CD1 LEU A 42 -2.153 3.145 2.315 1.00 22.23 C ATOM 662 CD2 LEU A 42 -2.738 5.574 2.447 1.00 44.23 C ATOM 0 H LEU A 42 -4.523 2.124 4.610 1.00 35.25 H new ATOM 0 HA LEU A 42 -5.150 4.906 4.579 1.00 64.24 H new ATOM 0 HB2 LEU A 42 -4.578 2.813 2.462 1.00 53.21 H new ATOM 0 HB3 LEU A 42 -4.924 4.482 2.053 1.00 53.21 H new ATOM 0 HG LEU A 42 -2.796 4.185 4.064 1.00 41.55 H new ATOM 0 HD11 LEU A 42 -1.104 3.408 2.447 1.00 22.23 H new ATOM 0 HD12 LEU A 42 -2.340 2.166 2.756 1.00 22.23 H new ATOM 0 HD13 LEU A 42 -2.388 3.114 1.251 1.00 22.23 H new ATOM 0 HD21 LEU A 42 -1.681 5.804 2.578 1.00 44.23 H new ATOM 0 HD22 LEU A 42 -2.987 5.603 1.386 1.00 44.23 H new ATOM 0 HD23 LEU A 42 -3.339 6.311 2.981 1.00 44.23 H new ATOM 674 N GLU A 43 -7.361 2.806 3.302 1.00 41.43 N ATOM 675 CA GLU A 43 -8.759 2.678 2.906 1.00 43.12 C ATOM 676 C GLU A 43 -9.685 3.211 3.995 1.00 3.44 C ATOM 677 O GLU A 43 -10.665 3.897 3.710 1.00 73.23 O ATOM 678 CB GLU A 43 -9.095 1.215 2.607 1.00 11.23 C ATOM 679 CG GLU A 43 -9.890 1.023 1.326 1.00 31.13 C ATOM 680 CD GLU A 43 -11.382 0.917 1.577 1.00 40.33 C ATOM 681 OE1 GLU A 43 -11.918 1.750 2.337 1.00 63.33 O ATOM 682 OE2 GLU A 43 -12.014 -0.001 1.012 1.00 10.51 O ATOM 0 H GLU A 43 -6.828 1.938 3.254 1.00 41.43 H new ATOM 0 HA GLU A 43 -8.910 3.271 2.004 1.00 43.12 H new ATOM 0 HB2 GLU A 43 -8.169 0.645 2.539 1.00 11.23 H new ATOM 0 HB3 GLU A 43 -9.662 0.803 3.442 1.00 11.23 H new ATOM 0 HG2 GLU A 43 -9.697 1.859 0.654 1.00 31.13 H new ATOM 0 HG3 GLU A 43 -9.545 0.121 0.820 1.00 31.13 H new ATOM 689 N ALA A 44 -9.364 2.891 5.244 1.00 20.23 N ATOM 690 CA ALA A 44 -10.165 3.339 6.377 1.00 1.04 C ATOM 691 C ALA A 44 -10.224 4.862 6.440 1.00 2.41 C ATOM 692 O ALA A 44 -11.128 5.432 7.050 1.00 24.01 O ATOM 693 CB ALA A 44 -9.603 2.777 7.676 1.00 52.42 C ATOM 0 H ALA A 44 -8.555 2.323 5.497 1.00 20.23 H new ATOM 0 HA ALA A 44 -11.181 2.967 6.242 1.00 1.04 H new ATOM 0 HB1 ALA A 44 -10.211 3.119 8.514 1.00 52.42 H new ATOM 0 HB2 ALA A 44 -9.618 1.688 7.638 1.00 52.42 H new ATOM 0 HB3 ALA A 44 -8.577 3.121 7.808 1.00 52.42 H new ATOM 699 N MET A 45 -9.256 5.514 5.805 1.00 24.31 N ATOM 700 CA MET A 45 -9.199 6.971 5.789 1.00 40.31 C ATOM 701 C MET A 45 -9.724 7.520 4.466 1.00 11.42 C ATOM 702 O MET A 45 -10.200 8.652 4.399 1.00 53.41 O ATOM 703 CB MET A 45 -7.765 7.449 6.020 1.00 15.25 C ATOM 704 CG MET A 45 -7.251 7.174 7.424 1.00 71.05 C ATOM 705 SD MET A 45 -7.988 8.261 8.659 1.00 71.12 S ATOM 706 CE MET A 45 -6.632 9.389 8.970 1.00 74.01 C ATOM 0 H MET A 45 -8.500 5.057 5.295 1.00 24.31 H new ATOM 0 HA MET A 45 -9.832 7.344 6.594 1.00 40.31 H new ATOM 0 HB2 MET A 45 -7.108 6.962 5.300 1.00 15.25 H new ATOM 0 HB3 MET A 45 -7.712 8.520 5.826 1.00 15.25 H new ATOM 0 HG2 MET A 45 -7.461 6.137 7.687 1.00 71.05 H new ATOM 0 HG3 MET A 45 -6.168 7.294 7.440 1.00 71.05 H new ATOM 0 HE1 MET A 45 -6.934 10.124 9.716 1.00 74.01 H new ATOM 0 HE2 MET A 45 -5.772 8.831 9.339 1.00 74.01 H new ATOM 0 HE3 MET A 45 -6.364 9.899 8.045 1.00 74.01 H new ATOM 716 N GLY A 46 -9.633 6.710 3.416 1.00 13.34 N ATOM 717 CA GLY A 46 -10.103 7.134 2.109 1.00 5.41 C ATOM 718 C GLY A 46 -8.981 7.650 1.229 1.00 62.35 C ATOM 719 O GLY A 46 -9.207 8.473 0.342 1.00 24.33 O ATOM 0 H GLY A 46 -9.243 5.768 3.446 1.00 13.34 H new ATOM 0 HA2 GLY A 46 -10.594 6.296 1.613 1.00 5.41 H new ATOM 0 HA3 GLY A 46 -10.853 7.915 2.232 1.00 5.41 H new ATOM 723 N ARG A 47 -7.768 7.165 1.475 1.00 64.33 N ATOM 724 CA ARG A 47 -6.607 7.583 0.700 1.00 10.13 C ATOM 725 C ARG A 47 -6.478 6.757 -0.577 1.00 33.13 C ATOM 726 O ARG A 47 -6.122 7.281 -1.633 1.00 52.24 O ATOM 727 CB ARG A 47 -5.333 7.450 1.536 1.00 22.13 C ATOM 728 CG ARG A 47 -5.503 7.898 2.980 1.00 42.34 C ATOM 729 CD ARG A 47 -6.014 9.328 3.062 1.00 25.43 C ATOM 730 NE ARG A 47 -5.131 10.179 3.857 1.00 74.44 N ATOM 731 CZ ARG A 47 -5.497 11.355 4.354 1.00 64.01 C ATOM 732 NH1 ARG A 47 -6.721 11.817 4.140 1.00 12.32 N ATOM 733 NH2 ARG A 47 -4.638 12.071 5.067 1.00 25.01 N ATOM 0 H ARG A 47 -7.564 6.482 2.205 1.00 64.33 H new ATOM 0 HA ARG A 47 -6.745 8.628 0.424 1.00 10.13 H new ATOM 0 HB2 ARG A 47 -5.007 6.410 1.523 1.00 22.13 H new ATOM 0 HB3 ARG A 47 -4.541 8.038 1.073 1.00 22.13 H new ATOM 0 HG2 ARG A 47 -6.199 7.232 3.489 1.00 42.34 H new ATOM 0 HG3 ARG A 47 -4.549 7.821 3.501 1.00 42.34 H new ATOM 0 HD2 ARG A 47 -6.105 9.739 2.057 1.00 25.43 H new ATOM 0 HD3 ARG A 47 -7.012 9.332 3.500 1.00 25.43 H new ATOM 0 HE ARG A 47 -4.182 9.852 4.040 1.00 74.44 H new ATOM 0 HH11 ARG A 47 -7.384 11.269 3.592 1.00 12.32 H new ATOM 0 HH12 ARG A 47 -6.999 12.720 4.523 1.00 12.32 H new ATOM 0 HH21 ARG A 47 -3.695 11.719 5.234 1.00 25.01 H new ATOM 0 HH22 ARG A 47 -4.920 12.974 5.448 1.00 25.01 H new ATOM 747 N ILE A 48 -6.769 5.465 -0.471 1.00 33.14 N ATOM 748 CA ILE A 48 -6.687 4.567 -1.616 1.00 3.52 C ATOM 749 C ILE A 48 -8.045 4.410 -2.291 1.00 71.31 C ATOM 750 O ILE A 48 -8.310 3.405 -2.951 1.00 32.14 O ATOM 751 CB ILE A 48 -6.165 3.178 -1.206 1.00 42.42 C ATOM 752 CG1 ILE A 48 -7.083 2.556 -0.152 1.00 71.55 C ATOM 753 CG2 ILE A 48 -4.741 3.280 -0.681 1.00 44.00 C ATOM 754 CD1 ILE A 48 -6.646 1.177 0.292 1.00 21.20 C ATOM 0 H ILE A 48 -7.064 5.017 0.396 1.00 33.14 H new ATOM 0 HA ILE A 48 -5.985 5.016 -2.319 1.00 3.52 H new ATOM 0 HB ILE A 48 -6.162 2.534 -2.085 1.00 42.42 H new ATOM 0 HG12 ILE A 48 -7.123 3.213 0.717 1.00 71.55 H new ATOM 0 HG13 ILE A 48 -8.095 2.496 -0.553 1.00 71.55 H new ATOM 0 HG21 ILE A 48 -4.387 2.290 -0.395 1.00 44.00 H new ATOM 0 HG22 ILE A 48 -4.095 3.686 -1.459 1.00 44.00 H new ATOM 0 HG23 ILE A 48 -4.720 3.937 0.188 1.00 44.00 H new ATOM 0 HD11 ILE A 48 -7.343 0.798 1.040 1.00 21.20 H new ATOM 0 HD12 ILE A 48 -6.634 0.505 -0.566 1.00 21.20 H new ATOM 0 HD13 ILE A 48 -5.646 1.233 0.723 1.00 21.20 H new ATOM 1035 N THR A 62 -24.295 26.762 -18.749 1.00 24.21 N ATOM 1036 CA THR A 62 -22.866 26.815 -18.461 1.00 60.21 C ATOM 1037 C THR A 62 -22.064 26.069 -19.520 1.00 3.41 C ATOM 1038 O THR A 62 -22.614 25.276 -20.284 1.00 11.43 O ATOM 1039 CB THR A 62 -22.550 26.217 -17.077 1.00 10.24 C ATOM 1040 OG1 THR A 62 -23.667 26.394 -16.199 1.00 54.24 O ATOM 1041 CG2 THR A 62 -21.316 26.873 -16.474 1.00 41.15 C ATOM 0 HA THR A 62 -22.581 27.867 -18.468 1.00 60.21 H new ATOM 0 HB THR A 62 -22.353 25.152 -17.202 1.00 10.24 H new ATOM 0 HG1 THR A 62 -24.481 26.528 -16.728 1.00 54.24 H new ATOM 0 HG21 THR A 62 -21.112 26.435 -15.497 1.00 41.15 H new ATOM 0 HG22 THR A 62 -20.461 26.711 -17.130 1.00 41.15 H new ATOM 0 HG23 THR A 62 -21.491 27.943 -16.363 1.00 41.15 H new ATOM 1049 N GLU A 63 -20.761 26.327 -19.559 1.00 3.41 N ATOM 1050 CA GLU A 63 -19.882 25.679 -20.526 1.00 63.21 C ATOM 1051 C GLU A 63 -20.051 24.163 -20.482 1.00 64.22 C ATOM 1052 O GLU A 63 -19.885 23.481 -21.493 1.00 74.10 O ATOM 1053 CB GLU A 63 -18.423 26.049 -20.252 1.00 33.14 C ATOM 1054 CG GLU A 63 -17.794 26.898 -21.344 1.00 74.15 C ATOM 1055 CD GLU A 63 -16.465 27.496 -20.926 1.00 72.13 C ATOM 1056 OE1 GLU A 63 -16.021 27.221 -19.792 1.00 13.10 O ATOM 1057 OE2 GLU A 63 -15.870 28.239 -21.735 1.00 5.21 O ATOM 0 H GLU A 63 -20.290 26.980 -18.933 1.00 3.41 H new ATOM 0 HA GLU A 63 -20.156 26.030 -21.521 1.00 63.21 H new ATOM 0 HB2 GLU A 63 -18.365 26.588 -19.306 1.00 33.14 H new ATOM 0 HB3 GLU A 63 -17.841 25.135 -20.134 1.00 33.14 H new ATOM 0 HG2 GLU A 63 -17.649 26.288 -22.235 1.00 74.15 H new ATOM 0 HG3 GLU A 63 -18.480 27.701 -21.615 1.00 74.15 H new ATOM 1064 N GLU A 64 -20.380 23.644 -19.303 1.00 44.11 N ATOM 1065 CA GLU A 64 -20.569 22.208 -19.128 1.00 12.44 C ATOM 1066 C GLU A 64 -21.896 21.756 -19.731 1.00 0.25 C ATOM 1067 O GLU A 64 -21.970 20.718 -20.387 1.00 2.43 O ATOM 1068 CB GLU A 64 -20.520 21.842 -17.643 1.00 22.14 C ATOM 1069 CG GLU A 64 -19.175 21.293 -17.195 1.00 13.41 C ATOM 1070 CD GLU A 64 -18.662 21.962 -15.936 1.00 21.21 C ATOM 1071 OE1 GLU A 64 -18.855 23.186 -15.792 1.00 14.44 O ATOM 1072 OE2 GLU A 64 -18.066 21.258 -15.092 1.00 72.12 O ATOM 0 H GLU A 64 -20.521 24.195 -18.456 1.00 44.11 H new ATOM 0 HA GLU A 64 -19.760 21.695 -19.648 1.00 12.44 H new ATOM 0 HB2 GLU A 64 -20.757 22.726 -17.052 1.00 22.14 H new ATOM 0 HB3 GLU A 64 -21.293 21.102 -17.434 1.00 22.14 H new ATOM 0 HG2 GLU A 64 -19.264 20.221 -17.021 1.00 13.41 H new ATOM 0 HG3 GLU A 64 -18.447 21.427 -17.995 1.00 13.41 H new ATOM 1079 N GLU A 65 -22.942 22.545 -19.502 1.00 65.25 N ATOM 1080 CA GLU A 65 -24.267 22.225 -20.020 1.00 5.51 C ATOM 1081 C GLU A 65 -24.290 22.317 -21.544 1.00 75.11 C ATOM 1082 O GLU A 65 -24.824 21.439 -22.221 1.00 72.15 O ATOM 1083 CB GLU A 65 -25.313 23.168 -19.425 1.00 32.34 C ATOM 1084 CG GLU A 65 -25.340 23.166 -17.906 1.00 70.22 C ATOM 1085 CD GLU A 65 -26.254 22.095 -17.341 1.00 23.21 C ATOM 1086 OE1 GLU A 65 -26.475 21.078 -18.032 1.00 20.44 O ATOM 1087 OE2 GLU A 65 -26.745 22.273 -16.207 1.00 14.00 O ATOM 0 H GLU A 65 -22.897 23.409 -18.962 1.00 65.25 H new ATOM 0 HA GLU A 65 -24.506 21.202 -19.730 1.00 5.51 H new ATOM 0 HB2 GLU A 65 -25.117 24.181 -19.775 1.00 32.34 H new ATOM 0 HB3 GLU A 65 -26.298 22.886 -19.798 1.00 32.34 H new ATOM 0 HG2 GLU A 65 -24.329 23.012 -17.528 1.00 70.22 H new ATOM 0 HG3 GLU A 65 -25.668 24.143 -17.551 1.00 70.22 H new ATOM 1094 N LEU A 66 -23.710 23.387 -22.075 1.00 71.10 N ATOM 1095 CA LEU A 66 -23.665 23.596 -23.519 1.00 23.53 C ATOM 1096 C LEU A 66 -23.060 22.387 -24.225 1.00 25.02 C ATOM 1097 O LEU A 66 -23.482 22.021 -25.322 1.00 24.24 O ATOM 1098 CB LEU A 66 -22.854 24.851 -23.846 1.00 52.53 C ATOM 1099 CG LEU A 66 -23.556 26.187 -23.599 1.00 21.41 C ATOM 1100 CD1 LEU A 66 -22.537 27.282 -23.325 1.00 35.45 C ATOM 1101 CD2 LEU A 66 -24.433 26.556 -24.787 1.00 10.44 C ATOM 0 H LEU A 66 -23.264 24.124 -21.528 1.00 71.10 H new ATOM 0 HA LEU A 66 -24.687 23.728 -23.875 1.00 23.53 H new ATOM 0 HB2 LEU A 66 -21.937 24.831 -23.257 1.00 52.53 H new ATOM 0 HB3 LEU A 66 -22.560 24.806 -24.895 1.00 52.53 H new ATOM 0 HG LEU A 66 -24.193 26.085 -22.721 1.00 21.41 H new ATOM 0 HD11 LEU A 66 -23.055 28.225 -23.152 1.00 35.45 H new ATOM 0 HD12 LEU A 66 -21.952 27.022 -22.443 1.00 35.45 H new ATOM 0 HD13 LEU A 66 -21.873 27.385 -24.184 1.00 35.45 H new ATOM 0 HD21 LEU A 66 -24.925 27.509 -24.594 1.00 10.44 H new ATOM 0 HD22 LEU A 66 -23.817 26.640 -25.682 1.00 10.44 H new ATOM 0 HD23 LEU A 66 -25.187 25.783 -24.937 1.00 10.44 H new ATOM 1113 N ALA A 67 -22.071 21.769 -23.587 1.00 2.42 N ATOM 1114 CA ALA A 67 -21.410 20.599 -24.152 1.00 14.12 C ATOM 1115 C ALA A 67 -22.259 19.346 -23.964 1.00 24.23 C ATOM 1116 O ALA A 67 -22.101 18.362 -24.687 1.00 61.34 O ATOM 1117 CB ALA A 67 -20.039 20.410 -23.521 1.00 2.31 C ATOM 0 H ALA A 67 -21.710 22.059 -22.678 1.00 2.42 H new ATOM 0 HA ALA A 67 -21.284 20.765 -25.222 1.00 14.12 H new ATOM 0 HB1 ALA A 67 -19.558 19.533 -23.953 1.00 2.31 H new ATOM 0 HB2 ALA A 67 -19.426 21.291 -23.712 1.00 2.31 H new ATOM 0 HB3 ALA A 67 -20.149 20.271 -22.446 1.00 2.31 H new ATOM 1123 N THR A 68 -23.159 19.388 -22.986 1.00 51.43 N ATOM 1124 CA THR A 68 -24.031 18.255 -22.702 1.00 51.22 C ATOM 1125 C THR A 68 -25.247 18.252 -23.622 1.00 51.50 C ATOM 1126 O THR A 68 -25.640 17.208 -24.143 1.00 5.02 O ATOM 1127 CB THR A 68 -24.511 18.270 -21.238 1.00 52.22 C ATOM 1128 OG1 THR A 68 -23.388 18.184 -20.354 1.00 43.11 O ATOM 1129 CG2 THR A 68 -25.464 17.115 -20.969 1.00 50.23 C ATOM 0 H THR A 68 -23.303 20.194 -22.378 1.00 51.43 H new ATOM 0 HA THR A 68 -23.444 17.353 -22.877 1.00 51.22 H new ATOM 0 HB THR A 68 -25.041 19.206 -21.062 1.00 52.22 H new ATOM 0 HG1 THR A 68 -22.901 19.035 -20.359 1.00 43.11 H new ATOM 0 HG21 THR A 68 -25.789 17.146 -19.929 1.00 50.23 H new ATOM 0 HG22 THR A 68 -26.332 17.199 -21.623 1.00 50.23 H new ATOM 0 HG23 THR A 68 -24.955 16.171 -21.161 1.00 50.23 H new ATOM 1137 N ILE A 69 -25.837 19.426 -23.820 1.00 11.44 N ATOM 1138 CA ILE A 69 -27.007 19.558 -24.680 1.00 3.21 C ATOM 1139 C ILE A 69 -26.677 19.171 -26.118 1.00 75.32 C ATOM 1140 O ILE A 69 -27.492 18.557 -26.808 1.00 24.30 O ATOM 1141 CB ILE A 69 -27.561 20.994 -24.660 1.00 52.42 C ATOM 1142 CG1 ILE A 69 -28.773 21.108 -25.588 1.00 35.45 C ATOM 1143 CG2 ILE A 69 -26.480 21.985 -25.066 1.00 51.34 C ATOM 1144 CD1 ILE A 69 -29.595 22.357 -25.355 1.00 55.30 C ATOM 0 H ILE A 69 -25.524 20.300 -23.397 1.00 11.44 H new ATOM 0 HA ILE A 69 -27.766 18.880 -24.289 1.00 3.21 H new ATOM 0 HB ILE A 69 -27.880 21.231 -23.645 1.00 52.42 H new ATOM 0 HG12 ILE A 69 -28.431 21.095 -26.623 1.00 35.45 H new ATOM 0 HG13 ILE A 69 -29.409 20.233 -25.452 1.00 35.45 H new ATOM 0 HG21 ILE A 69 -26.887 22.996 -25.047 1.00 51.34 H new ATOM 0 HG22 ILE A 69 -25.644 21.917 -24.370 1.00 51.34 H new ATOM 0 HG23 ILE A 69 -26.133 21.753 -26.073 1.00 51.34 H new ATOM 0 HD11 ILE A 69 -30.437 22.373 -26.047 1.00 55.30 H new ATOM 0 HD12 ILE A 69 -29.967 22.362 -24.330 1.00 55.30 H new ATOM 0 HD13 ILE A 69 -28.974 23.237 -25.520 1.00 55.30 H new ATOM 1156 N ARG A 70 -25.479 19.534 -26.563 1.00 11.32 N ATOM 1157 CA ARG A 70 -25.042 19.226 -27.919 1.00 42.45 C ATOM 1158 C ARG A 70 -25.106 17.724 -28.182 1.00 62.21 C ATOM 1159 O ARG A 70 -25.202 17.289 -29.329 1.00 25.35 O ATOM 1160 CB ARG A 70 -23.618 19.734 -28.147 1.00 3.30 C ATOM 1161 CG ARG A 70 -22.547 18.834 -27.551 1.00 70.04 C ATOM 1162 CD ARG A 70 -21.914 17.945 -28.610 1.00 20.22 C ATOM 1163 NE ARG A 70 -20.471 18.144 -28.701 1.00 3.05 N ATOM 1164 CZ ARG A 70 -19.907 19.141 -29.374 1.00 73.24 C ATOM 1165 NH1 ARG A 70 -20.662 20.025 -30.013 1.00 64.43 N ATOM 1166 NH2 ARG A 70 -18.586 19.255 -29.411 1.00 25.43 N ATOM 0 H ARG A 70 -24.793 20.042 -26.004 1.00 11.32 H new ATOM 0 HA ARG A 70 -25.715 19.729 -28.614 1.00 42.45 H new ATOM 0 HB2 ARG A 70 -23.443 19.832 -29.218 1.00 3.30 H new ATOM 0 HB3 ARG A 70 -23.524 20.731 -27.716 1.00 3.30 H new ATOM 0 HG2 ARG A 70 -21.777 19.445 -27.080 1.00 70.04 H new ATOM 0 HG3 ARG A 70 -22.985 18.214 -26.769 1.00 70.04 H new ATOM 0 HD2 ARG A 70 -22.122 16.901 -28.378 1.00 20.22 H new ATOM 0 HD3 ARG A 70 -22.370 18.153 -29.578 1.00 20.22 H new ATOM 0 HE ARG A 70 -19.862 17.481 -28.221 1.00 3.05 H new ATOM 0 HH11 ARG A 70 -21.678 19.940 -29.988 1.00 64.43 H new ATOM 0 HH12 ARG A 70 -20.226 20.789 -30.529 1.00 64.43 H new ATOM 0 HH21 ARG A 70 -18.002 18.577 -28.922 1.00 25.43 H new ATOM 0 HH22 ARG A 70 -18.155 20.021 -29.928 1.00 25.43 H new ATOM 1180 N GLU A 71 -25.052 16.937 -27.111 1.00 53.31 N ATOM 1181 CA GLU A 71 -25.101 15.485 -27.227 1.00 75.53 C ATOM 1182 C GLU A 71 -26.317 15.046 -28.039 1.00 71.53 C ATOM 1183 O GLU A 71 -26.281 14.028 -28.731 1.00 2.31 O ATOM 1184 CB GLU A 71 -25.141 14.842 -25.839 1.00 41.12 C ATOM 1185 CG GLU A 71 -23.881 15.076 -25.024 1.00 32.45 C ATOM 1186 CD GLU A 71 -22.682 14.327 -25.573 1.00 34.33 C ATOM 1187 OE1 GLU A 71 -22.865 13.513 -26.501 1.00 53.13 O ATOM 1188 OE2 GLU A 71 -21.561 14.557 -25.073 1.00 41.54 O ATOM 0 H GLU A 71 -24.974 17.281 -26.154 1.00 53.31 H new ATOM 0 HA GLU A 71 -24.201 15.156 -27.746 1.00 75.53 H new ATOM 0 HB2 GLU A 71 -25.997 15.235 -25.290 1.00 41.12 H new ATOM 0 HB3 GLU A 71 -25.298 13.769 -25.949 1.00 41.12 H new ATOM 0 HG2 GLU A 71 -23.659 16.143 -25.003 1.00 32.45 H new ATOM 0 HG3 GLU A 71 -24.057 14.767 -23.994 1.00 32.45 H new ATOM 1195 N LEU A 72 -27.393 15.819 -27.947 1.00 11.11 N ATOM 1196 CA LEU A 72 -28.621 15.511 -28.672 1.00 20.21 C ATOM 1197 C LEU A 72 -28.343 15.320 -30.159 1.00 3.44 C ATOM 1198 O LEU A 72 -29.117 14.677 -30.868 1.00 12.24 O ATOM 1199 CB LEU A 72 -29.648 16.628 -28.473 1.00 72.30 C ATOM 1200 CG LEU A 72 -29.598 17.773 -29.484 1.00 71.22 C ATOM 1201 CD1 LEU A 72 -28.186 18.325 -29.597 1.00 3.23 C ATOM 1202 CD2 LEU A 72 -30.101 17.308 -30.842 1.00 42.54 C ATOM 0 H LEU A 72 -27.440 16.664 -27.377 1.00 11.11 H new ATOM 0 HA LEU A 72 -29.024 14.580 -28.274 1.00 20.21 H new ATOM 0 HB2 LEU A 72 -30.645 16.187 -28.502 1.00 72.30 H new ATOM 0 HB3 LEU A 72 -29.513 17.045 -27.475 1.00 72.30 H new ATOM 0 HG LEU A 72 -30.251 18.572 -29.131 1.00 71.22 H new ATOM 0 HD11 LEU A 72 -28.171 19.139 -30.321 1.00 3.23 H new ATOM 0 HD12 LEU A 72 -27.862 18.698 -28.625 1.00 3.23 H new ATOM 0 HD13 LEU A 72 -27.511 17.534 -29.925 1.00 3.23 H new ATOM 0 HD21 LEU A 72 -30.058 18.136 -31.549 1.00 42.54 H new ATOM 0 HD22 LEU A 72 -29.475 16.491 -31.202 1.00 42.54 H new ATOM 0 HD23 LEU A 72 -31.131 16.963 -30.750 1.00 42.54 H new ATOM 1214 N TYR A 73 -27.231 15.880 -30.623 1.00 55.14 N ATOM 1215 CA TYR A 73 -26.851 15.771 -32.027 1.00 4.31 C ATOM 1216 C TYR A 73 -26.226 14.410 -32.318 1.00 2.45 C ATOM 1217 O TYR A 73 -26.447 13.826 -33.381 1.00 32.05 O ATOM 1218 CB TYR A 73 -25.869 16.884 -32.398 1.00 20.14 C ATOM 1219 CG TYR A 73 -26.315 17.715 -33.580 1.00 52.12 C ATOM 1220 CD1 TYR A 73 -26.668 17.115 -34.783 1.00 65.44 C ATOM 1221 CD2 TYR A 73 -26.384 19.100 -33.495 1.00 20.20 C ATOM 1222 CE1 TYR A 73 -27.075 17.870 -35.865 1.00 54.22 C ATOM 1223 CE2 TYR A 73 -26.791 19.863 -34.572 1.00 15.41 C ATOM 1224 CZ TYR A 73 -27.135 19.244 -35.755 1.00 52.25 C ATOM 1225 OH TYR A 73 -27.541 19.999 -36.831 1.00 42.25 O ATOM 0 H TYR A 73 -26.578 16.413 -30.049 1.00 55.14 H new ATOM 0 HA TYR A 73 -27.753 15.873 -32.631 1.00 4.31 H new ATOM 0 HB2 TYR A 73 -25.731 17.537 -31.537 1.00 20.14 H new ATOM 0 HB3 TYR A 73 -24.898 16.441 -32.621 1.00 20.14 H new ATOM 0 HD1 TYR A 73 -26.623 16.040 -34.873 1.00 65.44 H new ATOM 0 HD2 TYR A 73 -26.115 19.589 -32.570 1.00 20.20 H new ATOM 0 HE1 TYR A 73 -27.345 17.387 -36.793 1.00 54.22 H new ATOM 0 HE2 TYR A 73 -26.840 20.939 -34.488 1.00 15.41 H new ATOM 0 HH TYR A 73 -27.529 20.948 -36.588 1.00 42.25 H new ATOM 1235 N LEU A 74 -25.446 13.909 -31.367 1.00 3.41 N ATOM 1236 CA LEU A 74 -24.789 12.615 -31.519 1.00 5.32 C ATOM 1237 C LEU A 74 -25.798 11.476 -31.412 1.00 41.33 C ATOM 1238 O LEU A 74 -25.781 10.540 -32.213 1.00 51.21 O ATOM 1239 CB LEU A 74 -23.699 12.447 -30.459 1.00 44.12 C ATOM 1240 CG LEU A 74 -22.442 13.297 -30.648 1.00 23.44 C ATOM 1241 CD1 LEU A 74 -21.886 13.124 -32.053 1.00 20.20 C ATOM 1242 CD2 LEU A 74 -22.743 14.762 -30.368 1.00 22.33 C ATOM 0 H LEU A 74 -25.253 14.379 -30.482 1.00 3.41 H new ATOM 0 HA LEU A 74 -24.334 12.580 -32.509 1.00 5.32 H new ATOM 0 HB2 LEU A 74 -24.128 12.681 -29.485 1.00 44.12 H new ATOM 0 HB3 LEU A 74 -23.404 11.398 -30.434 1.00 44.12 H new ATOM 0 HG LEU A 74 -21.688 12.959 -29.938 1.00 23.44 H new ATOM 0 HD11 LEU A 74 -20.992 13.737 -32.168 1.00 20.20 H new ATOM 0 HD12 LEU A 74 -21.632 12.077 -32.217 1.00 20.20 H new ATOM 0 HD13 LEU A 74 -22.635 13.434 -32.781 1.00 20.20 H new ATOM 0 HD21 LEU A 74 -21.837 15.353 -30.507 1.00 22.33 H new ATOM 0 HD22 LEU A 74 -23.514 15.113 -31.054 1.00 22.33 H new ATOM 0 HD23 LEU A 74 -23.094 14.872 -29.342 1.00 22.33 H new ATOM 1254 N LYS A 75 -26.677 11.562 -30.420 1.00 40.20 N ATOM 1255 CA LYS A 75 -27.697 10.541 -30.210 1.00 10.42 C ATOM 1256 C LYS A 75 -28.910 10.793 -31.099 1.00 40.54 C ATOM 1257 O LYS A 75 -29.703 9.888 -31.355 1.00 22.53 O ATOM 1258 CB LYS A 75 -28.125 10.515 -28.741 1.00 63.11 C ATOM 1259 CG LYS A 75 -26.959 10.483 -27.768 1.00 62.42 C ATOM 1260 CD LYS A 75 -27.398 10.021 -26.388 1.00 1.44 C ATOM 1261 CE LYS A 75 -27.845 11.192 -25.526 1.00 62.33 C ATOM 1262 NZ LYS A 75 -27.169 11.195 -24.199 1.00 44.01 N ATOM 0 H LYS A 75 -26.704 12.329 -29.748 1.00 40.20 H new ATOM 0 HA LYS A 75 -27.269 9.574 -30.475 1.00 10.42 H new ATOM 0 HB2 LYS A 75 -28.736 11.393 -28.534 1.00 63.11 H new ATOM 0 HB3 LYS A 75 -28.754 9.641 -28.570 1.00 63.11 H new ATOM 0 HG2 LYS A 75 -26.185 9.815 -28.147 1.00 62.42 H new ATOM 0 HG3 LYS A 75 -26.516 11.476 -27.697 1.00 62.42 H new ATOM 0 HD2 LYS A 75 -28.215 9.306 -26.485 1.00 1.44 H new ATOM 0 HD3 LYS A 75 -26.575 9.500 -25.898 1.00 1.44 H new ATOM 0 HE2 LYS A 75 -27.631 12.127 -26.044 1.00 62.33 H new ATOM 0 HE3 LYS A 75 -28.925 11.146 -25.383 1.00 62.33 H new ATOM 0 HZ1 LYS A 75 -27.753 11.715 -23.513 1.00 44.01 H new ATOM 0 HZ2 LYS A 75 -27.041 10.216 -23.873 1.00 44.01 H new ATOM 0 HZ3 LYS A 75 -26.241 11.656 -24.283 1.00 44.01 H new ATOM 1276 N GLY A 76 -29.048 12.029 -31.571 1.00 4.32 N ATOM 1277 CA GLY A 76 -30.165 12.377 -32.428 1.00 64.43 C ATOM 1278 C GLY A 76 -31.434 12.649 -31.645 1.00 21.10 C ATOM 1279 O GLY A 76 -32.526 12.682 -32.211 1.00 2.03 O ATOM 0 H GLY A 76 -28.405 12.796 -31.374 1.00 4.32 H new ATOM 0 HA2 GLY A 76 -29.908 13.259 -33.015 1.00 64.43 H new ATOM 0 HA3 GLY A 76 -30.344 11.566 -33.134 1.00 64.43 H new ATOM 1283 N ALA A 77 -31.290 12.843 -30.337 1.00 51.15 N ATOM 1284 CA ALA A 77 -32.433 13.114 -29.475 1.00 74.35 C ATOM 1285 C ALA A 77 -33.107 14.429 -29.853 1.00 45.41 C ATOM 1286 O ALA A 77 -32.596 15.185 -30.681 1.00 22.31 O ATOM 1287 CB ALA A 77 -32.000 13.141 -28.017 1.00 41.22 C ATOM 0 H ALA A 77 -30.393 12.817 -29.852 1.00 51.15 H new ATOM 0 HA ALA A 77 -33.158 12.312 -29.613 1.00 74.35 H new ATOM 0 HB1 ALA A 77 -32.864 13.345 -27.385 1.00 41.22 H new ATOM 0 HB2 ALA A 77 -31.572 12.176 -27.747 1.00 41.22 H new ATOM 0 HB3 ALA A 77 -31.253 13.922 -27.874 1.00 41.22 H new ATOM 1293 N THR A 78 -34.257 14.697 -29.242 1.00 1.14 N ATOM 1294 CA THR A 78 -35.000 15.920 -29.517 1.00 20.42 C ATOM 1295 C THR A 78 -34.926 16.885 -28.338 1.00 71.54 C ATOM 1296 O THR A 78 -34.344 16.569 -27.300 1.00 31.30 O ATOM 1297 CB THR A 78 -36.479 15.620 -29.827 1.00 12.22 C ATOM 1298 OG1 THR A 78 -37.160 15.220 -28.632 1.00 2.21 O ATOM 1299 CG2 THR A 78 -36.600 14.526 -30.876 1.00 52.15 C ATOM 0 H THR A 78 -34.694 14.084 -28.554 1.00 1.14 H new ATOM 0 HA THR A 78 -34.539 16.381 -30.390 1.00 20.42 H new ATOM 0 HB THR A 78 -36.937 16.529 -30.218 1.00 12.22 H new ATOM 0 HG1 THR A 78 -38.100 15.033 -28.838 1.00 2.21 H new ATOM 0 HG21 THR A 78 -37.653 14.331 -31.079 1.00 52.15 H new ATOM 0 HG22 THR A 78 -36.107 14.846 -31.794 1.00 52.15 H new ATOM 0 HG23 THR A 78 -36.127 13.615 -30.508 1.00 52.15 H new ATOM 1307 N VAL A 79 -35.520 18.062 -28.505 1.00 32.14 N ATOM 1308 CA VAL A 79 -35.523 19.072 -27.454 1.00 34.21 C ATOM 1309 C VAL A 79 -36.151 18.532 -26.174 1.00 23.30 C ATOM 1310 O VAL A 79 -35.846 18.999 -25.076 1.00 31.21 O ATOM 1311 CB VAL A 79 -36.286 20.337 -27.892 1.00 42.53 C ATOM 1312 CG1 VAL A 79 -36.141 21.436 -26.851 1.00 3.01 C ATOM 1313 CG2 VAL A 79 -35.793 20.810 -29.252 1.00 72.24 C ATOM 0 H VAL A 79 -36.005 18.340 -29.358 1.00 32.14 H new ATOM 0 HA VAL A 79 -34.482 19.332 -27.263 1.00 34.21 H new ATOM 0 HB VAL A 79 -37.344 20.091 -27.979 1.00 42.53 H new ATOM 0 HG11 VAL A 79 -36.687 22.321 -27.178 1.00 3.01 H new ATOM 0 HG12 VAL A 79 -36.546 21.091 -25.899 1.00 3.01 H new ATOM 0 HG13 VAL A 79 -35.087 21.684 -26.728 1.00 3.01 H new ATOM 0 HG21 VAL A 79 -36.342 21.704 -29.547 1.00 72.24 H new ATOM 0 HG22 VAL A 79 -34.729 21.040 -29.194 1.00 72.24 H new ATOM 0 HG23 VAL A 79 -35.954 20.025 -29.991 1.00 72.24 H new ATOM 1323 N TYR A 80 -37.028 17.546 -26.322 1.00 51.14 N ATOM 1324 CA TYR A 80 -37.701 16.942 -25.178 1.00 12.10 C ATOM 1325 C TYR A 80 -36.740 16.065 -24.382 1.00 32.23 C ATOM 1326 O TYR A 80 -36.732 16.093 -23.152 1.00 31.30 O ATOM 1327 CB TYR A 80 -38.900 16.114 -25.644 1.00 20.25 C ATOM 1328 CG TYR A 80 -39.876 15.787 -24.536 1.00 40.13 C ATOM 1329 CD1 TYR A 80 -39.723 14.643 -23.764 1.00 60.24 C ATOM 1330 CD2 TYR A 80 -40.952 16.624 -24.262 1.00 22.34 C ATOM 1331 CE1 TYR A 80 -40.613 14.340 -22.751 1.00 53.14 C ATOM 1332 CE2 TYR A 80 -41.846 16.329 -23.251 1.00 51.21 C ATOM 1333 CZ TYR A 80 -41.673 15.186 -22.500 1.00 24.43 C ATOM 1334 OH TYR A 80 -42.561 14.888 -21.491 1.00 4.45 O ATOM 0 H TYR A 80 -37.290 17.147 -27.224 1.00 51.14 H new ATOM 0 HA TYR A 80 -38.053 17.744 -24.530 1.00 12.10 H new ATOM 0 HB2 TYR A 80 -39.424 16.659 -26.430 1.00 20.25 H new ATOM 0 HB3 TYR A 80 -38.540 15.185 -26.086 1.00 20.25 H new ATOM 0 HD1 TYR A 80 -38.894 13.978 -23.959 1.00 60.24 H new ATOM 0 HD2 TYR A 80 -41.091 17.520 -24.849 1.00 22.34 H new ATOM 0 HE1 TYR A 80 -40.479 13.446 -22.160 1.00 53.14 H new ATOM 0 HE2 TYR A 80 -42.676 16.990 -23.050 1.00 51.21 H new ATOM 0 HH TYR A 80 -43.248 15.585 -21.444 1.00 4.45 H new ATOM 1344 N GLU A 81 -35.932 15.287 -25.094 1.00 23.41 N ATOM 1345 CA GLU A 81 -34.967 14.400 -24.454 1.00 41.33 C ATOM 1346 C GLU A 81 -34.021 15.187 -23.551 1.00 1.34 C ATOM 1347 O GLU A 81 -33.934 14.929 -22.351 1.00 21.22 O ATOM 1348 CB GLU A 81 -34.165 13.636 -25.510 1.00 23.43 C ATOM 1349 CG GLU A 81 -34.863 12.385 -26.016 1.00 2.01 C ATOM 1350 CD GLU A 81 -34.305 11.117 -25.401 1.00 62.33 C ATOM 1351 OE1 GLU A 81 -33.962 11.139 -24.201 1.00 75.51 O ATOM 1352 OE2 GLU A 81 -34.211 10.100 -26.121 1.00 75.51 O ATOM 0 H GLU A 81 -35.926 15.252 -26.113 1.00 23.41 H new ATOM 0 HA GLU A 81 -35.518 13.687 -23.841 1.00 41.33 H new ATOM 0 HB2 GLU A 81 -33.967 14.298 -26.353 1.00 23.43 H new ATOM 0 HB3 GLU A 81 -33.199 13.358 -25.089 1.00 23.43 H new ATOM 0 HG2 GLU A 81 -35.928 12.453 -25.795 1.00 2.01 H new ATOM 0 HG3 GLU A 81 -34.765 12.332 -27.100 1.00 2.01 H new ATOM 1359 N ILE A 82 -33.313 16.146 -24.139 1.00 30.44 N ATOM 1360 CA ILE A 82 -32.375 16.971 -23.388 1.00 4.41 C ATOM 1361 C ILE A 82 -33.050 17.616 -22.183 1.00 52.25 C ATOM 1362 O ILE A 82 -32.415 17.853 -21.156 1.00 74.03 O ATOM 1363 CB ILE A 82 -31.763 18.074 -24.272 1.00 45.32 C ATOM 1364 CG1 ILE A 82 -32.867 18.856 -24.986 1.00 22.21 C ATOM 1365 CG2 ILE A 82 -30.797 17.470 -25.280 1.00 14.42 C ATOM 1366 CD1 ILE A 82 -32.345 19.968 -25.870 1.00 63.53 C ATOM 0 H ILE A 82 -33.371 16.370 -25.132 1.00 30.44 H new ATOM 0 HA ILE A 82 -31.580 16.310 -23.043 1.00 4.41 H new ATOM 0 HB ILE A 82 -31.209 18.764 -23.636 1.00 45.32 H new ATOM 0 HG12 ILE A 82 -33.455 18.167 -25.592 1.00 22.21 H new ATOM 0 HG13 ILE A 82 -33.540 19.280 -24.241 1.00 22.21 H new ATOM 0 HG21 ILE A 82 -30.373 18.262 -25.897 1.00 14.42 H new ATOM 0 HG22 ILE A 82 -29.996 16.953 -24.752 1.00 14.42 H new ATOM 0 HG23 ILE A 82 -31.329 16.761 -25.914 1.00 14.42 H new ATOM 0 HD11 ILE A 82 -33.183 20.479 -26.344 1.00 63.53 H new ATOM 0 HD12 ILE A 82 -31.781 20.679 -25.266 1.00 63.53 H new ATOM 0 HD13 ILE A 82 -31.695 19.548 -26.637 1.00 63.53 H new ATOM 1378 N ALA A 83 -34.342 17.897 -22.317 1.00 41.24 N ATOM 1379 CA ALA A 83 -35.106 18.511 -21.239 1.00 21.35 C ATOM 1380 C ALA A 83 -35.157 17.602 -20.015 1.00 31.14 C ATOM 1381 O ALA A 83 -34.855 18.029 -18.900 1.00 32.53 O ATOM 1382 CB ALA A 83 -36.513 18.843 -21.710 1.00 74.23 C ATOM 0 H ALA A 83 -34.881 17.709 -23.162 1.00 41.24 H new ATOM 0 HA ALA A 83 -34.604 19.435 -20.953 1.00 21.35 H new ATOM 0 HB1 ALA A 83 -37.071 19.301 -20.894 1.00 74.23 H new ATOM 0 HB2 ALA A 83 -36.462 19.537 -22.549 1.00 74.23 H new ATOM 0 HB3 ALA A 83 -37.016 17.929 -22.026 1.00 74.23 H new ATOM 1388 N ARG A 84 -35.541 16.348 -20.231 1.00 31.04 N ATOM 1389 CA ARG A 84 -35.633 15.380 -19.144 1.00 40.24 C ATOM 1390 C ARG A 84 -34.244 14.947 -18.683 1.00 72.33 C ATOM 1391 O ARG A 84 -34.050 14.593 -17.520 1.00 1.33 O ATOM 1392 CB ARG A 84 -36.438 14.157 -19.590 1.00 14.14 C ATOM 1393 CG ARG A 84 -37.833 14.095 -18.987 1.00 41.13 C ATOM 1394 CD ARG A 84 -38.651 12.967 -19.596 1.00 35.31 C ATOM 1395 NE ARG A 84 -39.879 12.715 -18.845 1.00 41.42 N ATOM 1396 CZ ARG A 84 -40.631 11.633 -19.010 1.00 34.43 C ATOM 1397 NH1 ARG A 84 -40.284 10.708 -19.893 1.00 64.33 N ATOM 1398 NH2 ARG A 84 -41.734 11.476 -18.289 1.00 71.25 N ATOM 0 H ARG A 84 -35.793 15.979 -21.148 1.00 31.04 H new ATOM 0 HA ARG A 84 -36.143 15.857 -18.307 1.00 40.24 H new ATOM 0 HB2 ARG A 84 -36.521 14.163 -20.677 1.00 14.14 H new ATOM 0 HB3 ARG A 84 -35.892 13.254 -19.317 1.00 14.14 H new ATOM 0 HG2 ARG A 84 -37.759 13.952 -17.909 1.00 41.13 H new ATOM 0 HG3 ARG A 84 -38.343 15.045 -19.148 1.00 41.13 H new ATOM 0 HD2 ARG A 84 -38.901 13.216 -20.627 1.00 35.31 H new ATOM 0 HD3 ARG A 84 -38.050 12.058 -19.625 1.00 35.31 H new ATOM 0 HE ARG A 84 -40.174 13.408 -18.157 1.00 41.42 H new ATOM 0 HH11 ARG A 84 -39.437 10.826 -20.449 1.00 64.33 H new ATOM 0 HH12 ARG A 84 -40.864 9.878 -20.017 1.00 64.33 H new ATOM 0 HH21 ARG A 84 -42.004 12.186 -17.608 1.00 71.25 H new ATOM 0 HH22 ARG A 84 -42.312 10.645 -18.415 1.00 71.25 H new ATOM 1412 N GLN A 85 -33.285 14.978 -19.601 1.00 13.21 N ATOM 1413 CA GLN A 85 -31.915 14.588 -19.287 1.00 54.43 C ATOM 1414 C GLN A 85 -31.240 15.633 -18.405 1.00 42.33 C ATOM 1415 O GLN A 85 -30.750 15.320 -17.320 1.00 12.45 O ATOM 1416 CB GLN A 85 -31.111 14.392 -20.575 1.00 31.03 C ATOM 1417 CG GLN A 85 -29.714 13.843 -20.341 1.00 45.01 C ATOM 1418 CD GLN A 85 -28.913 13.718 -21.622 1.00 35.15 C ATOM 1419 OE1 GLN A 85 -28.488 12.626 -21.998 1.00 63.43 O ATOM 1420 NE2 GLN A 85 -28.705 14.840 -22.301 1.00 1.43 N ATOM 0 H GLN A 85 -33.430 15.269 -20.568 1.00 13.21 H new ATOM 0 HA GLN A 85 -31.948 13.646 -18.740 1.00 54.43 H new ATOM 0 HB2 GLN A 85 -31.654 13.713 -21.233 1.00 31.03 H new ATOM 0 HB3 GLN A 85 -31.035 15.347 -21.095 1.00 31.03 H new ATOM 0 HG2 GLN A 85 -29.183 14.495 -19.647 1.00 45.01 H new ATOM 0 HG3 GLN A 85 -29.787 12.865 -19.866 1.00 45.01 H new ATOM 0 HE21 GLN A 85 -29.076 15.724 -21.952 1.00 1.43 H new ATOM 0 HE22 GLN A 85 -28.174 14.818 -23.172 1.00 1.43 H new ATOM 1429 N LEU A 86 -31.218 16.874 -18.879 1.00 43.03 N ATOM 1430 CA LEU A 86 -30.602 17.966 -18.133 1.00 2.51 C ATOM 1431 C LEU A 86 -31.429 18.319 -16.902 1.00 61.15 C ATOM 1432 O LEU A 86 -30.938 18.961 -15.974 1.00 73.41 O ATOM 1433 CB LEU A 86 -30.447 19.196 -19.028 1.00 3.43 C ATOM 1434 CG LEU A 86 -29.176 19.253 -19.878 1.00 32.13 C ATOM 1435 CD1 LEU A 86 -29.008 17.967 -20.672 1.00 60.22 C ATOM 1436 CD2 LEU A 86 -29.211 20.456 -20.809 1.00 21.44 C ATOM 0 H LEU A 86 -31.619 17.149 -19.776 1.00 43.03 H new ATOM 0 HA LEU A 86 -29.616 17.638 -17.803 1.00 2.51 H new ATOM 0 HB2 LEU A 86 -31.308 19.246 -19.694 1.00 3.43 H new ATOM 0 HB3 LEU A 86 -30.479 20.085 -18.398 1.00 3.43 H new ATOM 0 HG LEU A 86 -28.320 19.359 -19.212 1.00 32.13 H new ATOM 0 HD11 LEU A 86 -28.099 18.025 -21.271 1.00 60.22 H new ATOM 0 HD12 LEU A 86 -28.937 17.123 -19.986 1.00 60.22 H new ATOM 0 HD13 LEU A 86 -29.867 17.830 -21.329 1.00 60.22 H new ATOM 0 HD21 LEU A 86 -28.299 20.481 -21.406 1.00 21.44 H new ATOM 0 HD22 LEU A 86 -30.075 20.380 -21.469 1.00 21.44 H new ATOM 0 HD23 LEU A 86 -29.284 21.370 -20.220 1.00 21.44 H new ATOM 1448 N GLY A 87 -32.689 17.893 -16.899 1.00 5.22 N ATOM 1449 CA GLY A 87 -33.564 18.172 -15.776 1.00 34.35 C ATOM 1450 C GLY A 87 -34.349 19.456 -15.957 1.00 10.24 C ATOM 1451 O GLY A 87 -35.254 19.755 -15.177 1.00 41.43 O ATOM 0 H GLY A 87 -33.119 17.360 -17.655 1.00 5.22 H new ATOM 0 HA2 GLY A 87 -34.257 17.341 -15.645 1.00 34.35 H new ATOM 0 HA3 GLY A 87 -32.970 18.238 -14.864 1.00 34.35 H new ATOM 1455 N ARG A 88 -34.001 20.220 -16.988 1.00 42.34 N ATOM 1456 CA ARG A 88 -34.678 21.481 -17.268 1.00 24.25 C ATOM 1457 C ARG A 88 -36.012 21.238 -17.967 1.00 43.33 C ATOM 1458 O ARG A 88 -36.208 20.233 -18.651 1.00 71.32 O ATOM 1459 CB ARG A 88 -33.792 22.379 -18.133 1.00 64.12 C ATOM 1460 CG ARG A 88 -32.312 22.275 -17.802 1.00 52.01 C ATOM 1461 CD ARG A 88 -31.639 23.638 -17.827 1.00 24.24 C ATOM 1462 NE ARG A 88 -31.033 23.925 -19.125 1.00 22.44 N ATOM 1463 CZ ARG A 88 -29.843 23.468 -19.498 1.00 25.31 C ATOM 1464 NH1 ARG A 88 -29.135 22.705 -18.676 1.00 53.23 N ATOM 1465 NH2 ARG A 88 -29.359 23.772 -20.695 1.00 53.53 N ATOM 0 H ARG A 88 -33.254 19.988 -17.643 1.00 42.34 H new ATOM 0 HA ARG A 88 -34.871 21.980 -16.318 1.00 24.25 H new ATOM 0 HB2 ARG A 88 -33.940 22.120 -19.181 1.00 64.12 H new ATOM 0 HB3 ARG A 88 -34.111 23.414 -18.012 1.00 64.12 H new ATOM 0 HG2 ARG A 88 -32.189 21.825 -16.817 1.00 52.01 H new ATOM 0 HG3 ARG A 88 -31.824 21.614 -18.518 1.00 52.01 H new ATOM 0 HD2 ARG A 88 -32.372 24.409 -17.591 1.00 24.24 H new ATOM 0 HD3 ARG A 88 -30.873 23.679 -17.052 1.00 24.24 H new ATOM 0 HE ARG A 88 -31.552 24.508 -19.781 1.00 22.44 H new ATOM 0 HH11 ARG A 88 -29.504 22.468 -17.755 1.00 53.23 H new ATOM 0 HH12 ARG A 88 -28.221 22.355 -18.965 1.00 53.23 H new ATOM 0 HH21 ARG A 88 -29.901 24.358 -21.331 1.00 53.53 H new ATOM 0 HH22 ARG A 88 -28.445 23.420 -20.980 1.00 53.53 H new ATOM 1479 N PRO A 89 -36.951 22.180 -17.794 1.00 32.01 N ATOM 1480 CA PRO A 89 -38.282 22.091 -18.401 1.00 54.24 C ATOM 1481 C PRO A 89 -38.243 22.270 -19.915 1.00 10.44 C ATOM 1482 O PRO A 89 -38.687 21.401 -20.664 1.00 35.33 O ATOM 1483 CB PRO A 89 -39.049 23.243 -17.746 1.00 44.22 C ATOM 1484 CG PRO A 89 -37.996 24.221 -17.350 1.00 52.01 C ATOM 1485 CD PRO A 89 -36.786 23.403 -16.993 1.00 11.45 C ATOM 0 HA PRO A 89 -38.737 21.113 -18.243 1.00 54.24 H new ATOM 0 HB2 PRO A 89 -39.763 23.688 -18.439 1.00 44.22 H new ATOM 0 HB3 PRO A 89 -39.616 22.900 -16.881 1.00 44.22 H new ATOM 0 HG2 PRO A 89 -37.775 24.909 -18.166 1.00 52.01 H new ATOM 0 HG3 PRO A 89 -38.323 24.825 -16.503 1.00 52.01 H new ATOM 0 HD2 PRO A 89 -35.861 23.924 -17.242 1.00 11.45 H new ATOM 0 HD3 PRO A 89 -36.751 23.183 -15.926 1.00 11.45 H new ATOM 1493 N GLU A 90 -37.708 23.404 -20.358 1.00 30.43 N ATOM 1494 CA GLU A 90 -37.611 23.697 -21.783 1.00 44.22 C ATOM 1495 C GLU A 90 -37.137 25.128 -22.013 1.00 55.52 C ATOM 1496 O GLU A 90 -36.330 25.390 -22.905 1.00 2.15 O ATOM 1497 CB GLU A 90 -38.964 23.479 -22.464 1.00 15.05 C ATOM 1498 CG GLU A 90 -40.144 23.970 -21.643 1.00 22.40 C ATOM 1499 CD GLU A 90 -41.140 24.762 -22.466 1.00 54.32 C ATOM 1500 OE1 GLU A 90 -41.304 24.445 -23.663 1.00 73.04 O ATOM 1501 OE2 GLU A 90 -41.755 25.700 -21.916 1.00 11.50 O ATOM 0 H GLU A 90 -37.336 24.134 -19.751 1.00 30.43 H new ATOM 0 HA GLU A 90 -36.880 23.017 -22.219 1.00 44.22 H new ATOM 0 HB2 GLU A 90 -38.964 23.991 -23.426 1.00 15.05 H new ATOM 0 HB3 GLU A 90 -39.091 22.416 -22.668 1.00 15.05 H new ATOM 0 HG2 GLU A 90 -40.649 23.115 -21.193 1.00 22.40 H new ATOM 0 HG3 GLU A 90 -39.779 24.591 -20.825 1.00 22.40 H new ATOM 1508 N SER A 91 -37.645 26.052 -21.204 1.00 74.34 N ATOM 1509 CA SER A 91 -37.279 27.458 -21.323 1.00 33.54 C ATOM 1510 C SER A 91 -35.762 27.623 -21.352 1.00 33.44 C ATOM 1511 O SER A 91 -35.209 28.230 -22.269 1.00 45.52 O ATOM 1512 CB SER A 91 -37.868 28.260 -20.161 1.00 23.33 C ATOM 1513 OG SER A 91 -39.262 28.451 -20.327 1.00 40.35 O ATOM 0 H SER A 91 -38.312 25.852 -20.459 1.00 74.34 H new ATOM 0 HA SER A 91 -37.687 27.837 -22.260 1.00 33.54 H new ATOM 0 HB2 SER A 91 -37.679 27.739 -19.223 1.00 23.33 H new ATOM 0 HB3 SER A 91 -37.371 29.228 -20.094 1.00 23.33 H new ATOM 0 HG SER A 91 -39.614 28.965 -19.570 1.00 40.35 H new ATOM 1519 N THR A 92 -35.094 27.078 -20.339 1.00 54.22 N ATOM 1520 CA THR A 92 -33.642 27.165 -20.247 1.00 73.35 C ATOM 1521 C THR A 92 -32.976 26.548 -21.471 1.00 51.35 C ATOM 1522 O THR A 92 -31.977 27.065 -21.973 1.00 32.45 O ATOM 1523 CB THR A 92 -33.117 26.461 -18.982 1.00 43.41 C ATOM 1524 OG1 THR A 92 -33.944 26.789 -17.860 1.00 61.24 O ATOM 1525 CG2 THR A 92 -31.680 26.867 -18.694 1.00 1.43 C ATOM 0 H THR A 92 -35.536 26.572 -19.571 1.00 54.22 H new ATOM 0 HA THR A 92 -33.391 28.224 -20.195 1.00 73.35 H new ATOM 0 HB THR A 92 -33.147 25.385 -19.153 1.00 43.41 H new ATOM 0 HG1 THR A 92 -33.605 26.336 -17.060 1.00 61.24 H new ATOM 0 HG21 THR A 92 -31.331 26.357 -17.796 1.00 1.43 H new ATOM 0 HG22 THR A 92 -31.048 26.590 -19.538 1.00 1.43 H new ATOM 0 HG23 THR A 92 -31.630 27.945 -18.542 1.00 1.43 H new ATOM 1533 N ILE A 93 -33.535 25.442 -21.950 1.00 63.20 N ATOM 1534 CA ILE A 93 -32.995 24.756 -23.117 1.00 11.44 C ATOM 1535 C ILE A 93 -33.024 25.658 -24.346 1.00 1.41 C ATOM 1536 O ILE A 93 -32.085 25.671 -25.142 1.00 4.35 O ATOM 1537 CB ILE A 93 -33.776 23.465 -23.423 1.00 4.22 C ATOM 1538 CG1 ILE A 93 -33.705 22.506 -22.233 1.00 20.41 C ATOM 1539 CG2 ILE A 93 -33.230 22.800 -24.678 1.00 52.31 C ATOM 1540 CD1 ILE A 93 -32.310 21.993 -21.952 1.00 13.44 C ATOM 0 H ILE A 93 -34.362 25.002 -21.548 1.00 63.20 H new ATOM 0 HA ILE A 93 -31.962 24.498 -22.882 1.00 11.44 H new ATOM 0 HB ILE A 93 -34.821 23.723 -23.597 1.00 4.22 H new ATOM 0 HG12 ILE A 93 -34.082 23.013 -21.345 1.00 20.41 H new ATOM 0 HG13 ILE A 93 -34.364 21.658 -22.420 1.00 20.41 H new ATOM 0 HG21 ILE A 93 -33.793 21.889 -24.881 1.00 52.31 H new ATOM 0 HG22 ILE A 93 -33.327 23.482 -25.523 1.00 52.31 H new ATOM 0 HG23 ILE A 93 -32.179 22.552 -24.531 1.00 52.31 H new ATOM 0 HD11 ILE A 93 -32.336 21.319 -21.096 1.00 13.44 H new ATOM 0 HD12 ILE A 93 -31.937 21.457 -22.825 1.00 13.44 H new ATOM 0 HD13 ILE A 93 -31.651 22.833 -21.733 1.00 13.44 H new ATOM 1552 N TYR A 94 -34.108 26.412 -24.495 1.00 63.31 N ATOM 1553 CA TYR A 94 -34.260 27.317 -25.627 1.00 53.02 C ATOM 1554 C TYR A 94 -33.183 28.397 -25.611 1.00 3.33 C ATOM 1555 O TYR A 94 -32.680 28.805 -26.658 1.00 55.32 O ATOM 1556 CB TYR A 94 -35.646 27.963 -25.607 1.00 30.15 C ATOM 1557 CG TYR A 94 -36.653 27.265 -26.491 1.00 63.35 C ATOM 1558 CD1 TYR A 94 -36.858 25.894 -26.396 1.00 71.50 C ATOM 1559 CD2 TYR A 94 -37.401 27.975 -27.422 1.00 71.22 C ATOM 1560 CE1 TYR A 94 -37.777 25.250 -27.203 1.00 30.52 C ATOM 1561 CE2 TYR A 94 -38.324 27.341 -28.231 1.00 44.32 C ATOM 1562 CZ TYR A 94 -38.508 25.979 -28.118 1.00 45.43 C ATOM 1563 OH TYR A 94 -39.425 25.341 -28.923 1.00 32.43 O ATOM 0 H TYR A 94 -34.894 26.414 -23.845 1.00 63.31 H new ATOM 0 HA TYR A 94 -34.150 26.735 -26.542 1.00 53.02 H new ATOM 0 HB2 TYR A 94 -36.019 27.971 -24.583 1.00 30.15 H new ATOM 0 HB3 TYR A 94 -35.557 29.003 -25.922 1.00 30.15 H new ATOM 0 HD1 TYR A 94 -36.289 25.321 -25.679 1.00 71.50 H new ATOM 0 HD2 TYR A 94 -37.258 29.041 -27.515 1.00 71.22 H new ATOM 0 HE1 TYR A 94 -37.922 24.183 -27.118 1.00 30.52 H new ATOM 0 HE2 TYR A 94 -38.898 27.909 -28.948 1.00 44.32 H new ATOM 0 HH TYR A 94 -39.856 25.996 -29.511 1.00 32.43 H new