USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 68:sc= 0.489 USER MOD Single : A 29 ASN : amide:sc= -0.0427 X(o=-0.043,f=-0.08) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.67! C(o=-3!,f=-1.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) 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 25:sc= 0.645 USER MOD Single : A 68 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.17) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -150:sc= -0.734 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.749 4.110 -3.612 1.00 44.50 N ATOM 178 CA LYS A 13 -0.936 4.554 -4.987 1.00 62.22 C ATOM 179 C LYS A 13 -1.104 3.363 -5.926 1.00 3.22 C ATOM 180 O LYS A 13 -1.877 3.417 -6.883 1.00 44.31 O ATOM 181 CB LYS A 13 0.254 5.406 -5.436 1.00 60.03 C ATOM 182 CG LYS A 13 0.246 5.728 -6.921 1.00 71.43 C ATOM 183 CD LYS A 13 1.486 6.504 -7.331 1.00 3.42 C ATOM 184 CE LYS A 13 1.303 7.175 -8.683 1.00 50.22 C ATOM 185 NZ LYS A 13 1.798 6.320 -9.797 1.00 53.05 N ATOM 0 HA LYS A 13 -1.843 5.157 -5.027 1.00 62.22 H new ATOM 0 HB2 LYS A 13 0.257 6.338 -4.871 1.00 60.03 H new ATOM 0 HB3 LYS A 13 1.178 4.882 -5.191 1.00 60.03 H new ATOM 0 HG2 LYS A 13 0.189 4.803 -7.494 1.00 71.43 H new ATOM 0 HG3 LYS A 13 -0.644 6.309 -7.163 1.00 71.43 H new ATOM 0 HD2 LYS A 13 1.710 7.258 -6.577 1.00 3.42 H new ATOM 0 HD3 LYS A 13 2.341 5.830 -7.371 1.00 3.42 H new ATOM 0 HE2 LYS A 13 0.247 7.398 -8.838 1.00 50.22 H new ATOM 0 HE3 LYS A 13 1.835 8.126 -8.691 1.00 50.22 H new ATOM 0 HZ1 LYS A 13 1.656 6.812 -10.702 1.00 53.05 H new ATOM 0 HZ2 LYS A 13 2.811 6.128 -9.663 1.00 53.05 H new ATOM 0 HZ3 LYS A 13 1.273 5.422 -9.805 1.00 53.05 H new ATOM 199 N LEU A 14 -0.376 2.287 -5.644 1.00 34.50 N ATOM 200 CA LEU A 14 -0.447 1.081 -6.462 1.00 11.23 C ATOM 201 C LEU A 14 -1.794 0.385 -6.291 1.00 44.15 C ATOM 202 O LEU A 14 -2.469 0.070 -7.271 1.00 41.15 O ATOM 203 CB LEU A 14 0.687 0.123 -6.090 1.00 14.11 C ATOM 204 CG LEU A 14 1.925 0.168 -6.985 1.00 40.43 C ATOM 205 CD1 LEU A 14 1.625 -0.447 -8.344 1.00 22.21 C ATOM 206 CD2 LEU A 14 2.416 1.600 -7.143 1.00 43.22 C ATOM 0 H LEU A 14 0.269 2.225 -4.856 1.00 34.50 H new ATOM 0 HA LEU A 14 -0.341 1.373 -7.507 1.00 11.23 H new ATOM 0 HB2 LEU A 14 0.995 0.337 -5.067 1.00 14.11 H new ATOM 0 HB3 LEU A 14 0.294 -0.894 -6.098 1.00 14.11 H new ATOM 0 HG LEU A 14 2.714 -0.416 -6.511 1.00 40.43 H new ATOM 0 HD11 LEU A 14 2.518 -0.406 -8.967 1.00 22.21 H new ATOM 0 HD12 LEU A 14 1.321 -1.486 -8.214 1.00 22.21 H new ATOM 0 HD13 LEU A 14 0.821 0.109 -8.826 1.00 22.21 H new ATOM 0 HD21 LEU A 14 3.298 1.614 -7.783 1.00 43.22 H new ATOM 0 HD22 LEU A 14 1.631 2.206 -7.594 1.00 43.22 H new ATOM 0 HD23 LEU A 14 2.671 2.007 -6.165 1.00 43.22 H new ATOM 218 N TYR A 15 -2.178 0.150 -5.042 1.00 71.03 N ATOM 219 CA TYR A 15 -3.444 -0.509 -4.743 1.00 40.21 C ATOM 220 C TYR A 15 -4.621 0.322 -5.244 1.00 32.11 C ATOM 221 O TYR A 15 -5.487 -0.176 -5.965 1.00 25.22 O ATOM 222 CB TYR A 15 -3.576 -0.746 -3.238 1.00 22.04 C ATOM 223 CG TYR A 15 -4.821 -1.513 -2.853 1.00 54.11 C ATOM 224 CD1 TYR A 15 -4.865 -2.898 -2.945 1.00 45.30 C ATOM 225 CD2 TYR A 15 -5.955 -0.851 -2.396 1.00 13.20 C ATOM 226 CE1 TYR A 15 -6.000 -3.603 -2.595 1.00 54.41 C ATOM 227 CE2 TYR A 15 -7.094 -1.548 -2.043 1.00 13.31 C ATOM 228 CZ TYR A 15 -7.112 -2.922 -2.144 1.00 61.32 C ATOM 229 OH TYR A 15 -8.245 -3.620 -1.794 1.00 22.52 O ATOM 0 H TYR A 15 -1.631 0.406 -4.220 1.00 71.03 H new ATOM 0 HA TYR A 15 -3.456 -1.470 -5.257 1.00 40.21 H new ATOM 0 HB2 TYR A 15 -2.700 -1.291 -2.886 1.00 22.04 H new ATOM 0 HB3 TYR A 15 -3.579 0.216 -2.726 1.00 22.04 H new ATOM 0 HD1 TYR A 15 -3.996 -3.434 -3.297 1.00 45.30 H new ATOM 0 HD2 TYR A 15 -5.945 0.226 -2.316 1.00 13.20 H new ATOM 0 HE1 TYR A 15 -6.017 -4.680 -2.674 1.00 54.41 H new ATOM 0 HE2 TYR A 15 -7.966 -1.018 -1.689 1.00 13.31 H new ATOM 0 HH TYR A 15 -8.937 -2.993 -1.496 1.00 22.52 H new ATOM 239 N LYS A 16 -4.648 1.592 -4.857 1.00 44.33 N ATOM 240 CA LYS A 16 -5.717 2.495 -5.267 1.00 52.43 C ATOM 241 C LYS A 16 -5.769 2.622 -6.786 1.00 73.14 C ATOM 242 O LYS A 16 -6.786 3.029 -7.350 1.00 1.44 O ATOM 243 CB LYS A 16 -5.517 3.875 -4.636 1.00 32.22 C ATOM 244 CG LYS A 16 -4.468 4.719 -5.339 1.00 33.03 C ATOM 245 CD LYS A 16 -5.104 5.827 -6.162 1.00 40.31 C ATOM 246 CE LYS A 16 -4.168 7.017 -6.314 1.00 62.41 C ATOM 247 NZ LYS A 16 -4.881 8.223 -6.819 1.00 73.33 N ATOM 0 H LYS A 16 -3.941 2.020 -4.259 1.00 44.33 H new ATOM 0 HA LYS A 16 -6.663 2.078 -4.922 1.00 52.43 H new ATOM 0 HB2 LYS A 16 -6.467 4.410 -4.644 1.00 32.22 H new ATOM 0 HB3 LYS A 16 -5.230 3.750 -3.592 1.00 32.22 H new ATOM 0 HG2 LYS A 16 -3.795 5.154 -4.600 1.00 33.03 H new ATOM 0 HG3 LYS A 16 -3.863 4.084 -5.987 1.00 33.03 H new ATOM 0 HD2 LYS A 16 -5.369 5.443 -7.147 1.00 40.31 H new ATOM 0 HD3 LYS A 16 -6.030 6.150 -5.686 1.00 40.31 H new ATOM 0 HE2 LYS A 16 -3.709 7.243 -5.352 1.00 62.41 H new ATOM 0 HE3 LYS A 16 -3.361 6.759 -6.999 1.00 62.41 H new ATOM 0 HZ1 LYS A 16 -4.209 9.012 -6.909 1.00 73.33 H new ATOM 0 HZ2 LYS A 16 -5.298 8.016 -7.749 1.00 73.33 H new ATOM 0 HZ3 LYS A 16 -5.635 8.485 -6.152 1.00 73.33 H new ATOM 261 N ASP A 17 -4.669 2.271 -7.443 1.00 53.24 N ATOM 262 CA ASP A 17 -4.591 2.344 -8.898 1.00 20.22 C ATOM 263 C ASP A 17 -5.149 1.075 -9.536 1.00 2.23 C ATOM 264 O ASP A 17 -5.567 1.082 -10.692 1.00 43.24 O ATOM 265 CB ASP A 17 -3.144 2.558 -9.342 1.00 11.10 C ATOM 266 CG ASP A 17 -2.939 2.254 -10.813 1.00 3.40 C ATOM 267 OD1 ASP A 17 -3.630 2.873 -11.648 1.00 74.04 O ATOM 268 OD2 ASP A 17 -2.086 1.399 -11.128 1.00 64.01 O ATOM 0 H ASP A 17 -3.819 1.933 -6.992 1.00 53.24 H new ATOM 0 HA ASP A 17 -5.193 3.191 -9.228 1.00 20.22 H new ATOM 0 HB2 ASP A 17 -2.855 3.590 -9.144 1.00 11.10 H new ATOM 0 HB3 ASP A 17 -2.487 1.923 -8.748 1.00 11.10 H new ATOM 273 N GLY A 18 -5.152 -0.014 -8.772 1.00 30.03 N ATOM 274 CA GLY A 18 -5.660 -1.275 -9.280 1.00 41.33 C ATOM 275 C GLY A 18 -4.600 -2.358 -9.306 1.00 4.45 C ATOM 276 O GLY A 18 -4.459 -3.076 -10.295 1.00 71.43 O ATOM 0 H GLY A 18 -4.812 -0.045 -7.811 1.00 30.03 H new ATOM 0 HA2 GLY A 18 -6.495 -1.603 -8.661 1.00 41.33 H new ATOM 0 HA3 GLY A 18 -6.049 -1.127 -10.287 1.00 41.33 H new ATOM 280 N VAL A 19 -3.850 -2.477 -8.214 1.00 14.11 N ATOM 281 CA VAL A 19 -2.797 -3.480 -8.115 1.00 54.42 C ATOM 282 C VAL A 19 -3.041 -4.419 -6.939 1.00 73.22 C ATOM 283 O VAL A 19 -3.353 -3.994 -5.827 1.00 15.54 O ATOM 284 CB VAL A 19 -1.411 -2.825 -7.955 1.00 75.21 C ATOM 285 CG1 VAL A 19 -0.323 -3.886 -7.909 1.00 25.02 C ATOM 286 CG2 VAL A 19 -1.157 -1.837 -9.084 1.00 32.32 C ATOM 0 H VAL A 19 -3.953 -1.891 -7.386 1.00 14.11 H new ATOM 0 HA VAL A 19 -2.816 -4.051 -9.043 1.00 54.42 H new ATOM 0 HB VAL A 19 -1.392 -2.278 -7.013 1.00 75.21 H new ATOM 0 HG11 VAL A 19 0.649 -3.406 -7.796 1.00 25.02 H new ATOM 0 HG12 VAL A 19 -0.499 -4.552 -7.064 1.00 25.02 H new ATOM 0 HG13 VAL A 19 -0.337 -4.462 -8.834 1.00 25.02 H new ATOM 0 HG21 VAL A 19 -0.174 -1.383 -8.956 1.00 32.32 H new ATOM 0 HG22 VAL A 19 -1.194 -2.359 -10.040 1.00 32.32 H new ATOM 0 HG23 VAL A 19 -1.921 -1.059 -9.066 1.00 32.32 H new ATOM 296 N PRO A 20 -2.896 -5.729 -7.188 1.00 63.33 N ATOM 297 CA PRO A 20 -3.095 -6.756 -6.162 1.00 22.23 C ATOM 298 C PRO A 20 -2.000 -6.737 -5.101 1.00 1.10 C ATOM 299 O PRO A 20 -0.863 -6.355 -5.376 1.00 65.22 O ATOM 300 CB PRO A 20 -3.047 -8.064 -6.956 1.00 64.40 C ATOM 301 CG PRO A 20 -2.233 -7.746 -8.162 1.00 72.10 C ATOM 302 CD PRO A 20 -2.525 -6.308 -8.491 1.00 15.34 C ATOM 0 HA PRO A 20 -4.025 -6.608 -5.613 1.00 22.23 H new ATOM 0 HB2 PRO A 20 -2.593 -8.865 -6.372 1.00 64.40 H new ATOM 0 HB3 PRO A 20 -4.048 -8.397 -7.231 1.00 64.40 H new ATOM 0 HG2 PRO A 20 -1.171 -7.894 -7.966 1.00 72.10 H new ATOM 0 HG3 PRO A 20 -2.497 -8.398 -8.994 1.00 72.10 H new ATOM 0 HD2 PRO A 20 -1.656 -5.809 -8.920 1.00 15.34 H new ATOM 0 HD3 PRO A 20 -3.334 -6.218 -9.216 1.00 15.34 H new ATOM 310 N VAL A 21 -2.350 -7.150 -3.887 1.00 63.22 N ATOM 311 CA VAL A 21 -1.396 -7.182 -2.785 1.00 42.22 C ATOM 312 C VAL A 21 -0.124 -7.924 -3.180 1.00 53.40 C ATOM 313 O VAL A 21 0.985 -7.454 -2.928 1.00 24.31 O ATOM 314 CB VAL A 21 -2.001 -7.852 -1.537 1.00 54.41 C ATOM 315 CG1 VAL A 21 -0.986 -7.890 -0.406 1.00 11.45 C ATOM 316 CG2 VAL A 21 -3.267 -7.126 -1.104 1.00 71.33 C ATOM 0 H VAL A 21 -3.288 -7.467 -3.642 1.00 63.22 H new ATOM 0 HA VAL A 21 -1.151 -6.146 -2.549 1.00 42.22 H new ATOM 0 HB VAL A 21 -2.266 -8.879 -1.790 1.00 54.41 H new ATOM 0 HG11 VAL A 21 -1.432 -8.367 0.467 1.00 11.45 H new ATOM 0 HG12 VAL A 21 -0.110 -8.457 -0.722 1.00 11.45 H new ATOM 0 HG13 VAL A 21 -0.687 -6.873 -0.151 1.00 11.45 H new ATOM 0 HG21 VAL A 21 -3.681 -7.612 -0.221 1.00 71.33 H new ATOM 0 HG22 VAL A 21 -3.029 -6.089 -0.869 1.00 71.33 H new ATOM 0 HG23 VAL A 21 -3.998 -7.156 -1.912 1.00 71.33 H new ATOM 326 N LYS A 22 -0.293 -9.086 -3.802 1.00 42.13 N ATOM 327 CA LYS A 22 0.841 -9.894 -4.235 1.00 20.21 C ATOM 328 C LYS A 22 1.806 -9.070 -5.082 1.00 33.35 C ATOM 329 O LYS A 22 3.022 -9.202 -4.959 1.00 64.23 O ATOM 330 CB LYS A 22 0.354 -11.107 -5.031 1.00 25.11 C ATOM 331 CG LYS A 22 -0.411 -10.741 -6.291 1.00 3.40 C ATOM 332 CD LYS A 22 -1.544 -11.717 -6.558 1.00 55.12 C ATOM 333 CE LYS A 22 -1.503 -12.241 -7.985 1.00 75.13 C ATOM 334 NZ LYS A 22 -2.113 -11.281 -8.947 1.00 41.00 N ATOM 0 H LYS A 22 -1.205 -9.489 -4.018 1.00 42.13 H new ATOM 0 HA LYS A 22 1.370 -10.238 -3.346 1.00 20.21 H new ATOM 0 HB2 LYS A 22 1.213 -11.721 -5.303 1.00 25.11 H new ATOM 0 HB3 LYS A 22 -0.285 -11.717 -4.393 1.00 25.11 H new ATOM 0 HG2 LYS A 22 -0.813 -9.733 -6.194 1.00 3.40 H new ATOM 0 HG3 LYS A 22 0.270 -10.731 -7.142 1.00 3.40 H new ATOM 0 HD2 LYS A 22 -1.478 -12.552 -5.861 1.00 55.12 H new ATOM 0 HD3 LYS A 22 -2.500 -11.225 -6.377 1.00 55.12 H new ATOM 0 HE2 LYS A 22 -0.469 -12.434 -8.271 1.00 75.13 H new ATOM 0 HE3 LYS A 22 -2.032 -13.193 -8.038 1.00 75.13 H new ATOM 0 HZ1 LYS A 22 -2.065 -11.675 -9.908 1.00 41.00 H new ATOM 0 HZ2 LYS A 22 -3.107 -11.116 -8.689 1.00 41.00 H new ATOM 0 HZ3 LYS A 22 -1.593 -10.381 -8.916 1.00 41.00 H new ATOM 348 N GLU A 23 1.251 -8.218 -5.940 1.00 44.24 N ATOM 349 CA GLU A 23 2.065 -7.373 -6.807 1.00 12.22 C ATOM 350 C GLU A 23 2.637 -6.190 -6.031 1.00 40.40 C ATOM 351 O GLU A 23 3.813 -5.851 -6.174 1.00 72.23 O ATOM 352 CB GLU A 23 1.233 -6.867 -7.988 1.00 30.30 C ATOM 353 CG GLU A 23 1.976 -5.887 -8.880 1.00 42.53 C ATOM 354 CD GLU A 23 3.141 -6.529 -9.608 1.00 43.42 C ATOM 355 OE1 GLU A 23 2.896 -7.413 -10.454 1.00 64.54 O ATOM 356 OE2 GLU A 23 4.298 -6.147 -9.333 1.00 2.34 O ATOM 0 H GLU A 23 0.245 -8.095 -6.053 1.00 44.24 H new ATOM 0 HA GLU A 23 2.893 -7.973 -7.184 1.00 12.22 H new ATOM 0 HB2 GLU A 23 0.912 -7.719 -8.587 1.00 30.30 H new ATOM 0 HB3 GLU A 23 0.331 -6.387 -7.607 1.00 30.30 H new ATOM 0 HG2 GLU A 23 1.283 -5.468 -9.610 1.00 42.53 H new ATOM 0 HG3 GLU A 23 2.343 -5.057 -8.276 1.00 42.53 H new ATOM 363 N ILE A 24 1.799 -5.566 -5.210 1.00 53.12 N ATOM 364 CA ILE A 24 2.222 -4.423 -4.412 1.00 41.21 C ATOM 365 C ILE A 24 3.378 -4.793 -3.489 1.00 71.30 C ATOM 366 O ILE A 24 4.306 -4.009 -3.294 1.00 31.14 O ATOM 367 CB ILE A 24 1.061 -3.867 -3.564 1.00 72.44 C ATOM 368 CG1 ILE A 24 -0.102 -3.450 -4.466 1.00 30.35 C ATOM 369 CG2 ILE A 24 1.535 -2.692 -2.724 1.00 0.11 C ATOM 370 CD1 ILE A 24 -1.432 -3.387 -3.746 1.00 62.54 C ATOM 0 H ILE A 24 0.823 -5.833 -5.080 1.00 53.12 H new ATOM 0 HA ILE A 24 2.551 -3.655 -5.112 1.00 41.21 H new ATOM 0 HB ILE A 24 0.712 -4.651 -2.892 1.00 72.44 H new ATOM 0 HG12 ILE A 24 0.115 -2.473 -4.897 1.00 30.35 H new ATOM 0 HG13 ILE A 24 -0.179 -4.154 -5.295 1.00 30.35 H new ATOM 0 HG21 ILE A 24 0.704 -2.310 -2.131 1.00 0.11 H new ATOM 0 HG22 ILE A 24 2.335 -3.019 -2.060 1.00 0.11 H new ATOM 0 HG23 ILE A 24 1.906 -1.903 -3.378 1.00 0.11 H new ATOM 0 HD11 ILE A 24 -2.211 -3.085 -4.446 1.00 62.54 H new ATOM 0 HD12 ILE A 24 -1.672 -4.369 -3.338 1.00 62.54 H new ATOM 0 HD13 ILE A 24 -1.372 -2.662 -2.935 1.00 62.54 H new ATOM 382 N ALA A 25 3.315 -5.995 -2.924 1.00 63.44 N ATOM 383 CA ALA A 25 4.358 -6.473 -2.026 1.00 2.41 C ATOM 384 C ALA A 25 5.723 -6.445 -2.705 1.00 42.42 C ATOM 385 O ALA A 25 6.715 -6.021 -2.111 1.00 70.42 O ATOM 386 CB ALA A 25 4.035 -7.878 -1.542 1.00 4.42 C ATOM 0 H ALA A 25 2.552 -6.655 -3.073 1.00 63.44 H new ATOM 0 HA ALA A 25 4.396 -5.805 -1.166 1.00 2.41 H new ATOM 0 HB1 ALA A 25 4.823 -8.222 -0.872 1.00 4.42 H new ATOM 0 HB2 ALA A 25 3.084 -7.870 -1.010 1.00 4.42 H new ATOM 0 HB3 ALA A 25 3.966 -8.551 -2.397 1.00 4.42 H new ATOM 392 N LYS A 26 5.767 -6.901 -3.952 1.00 42.33 N ATOM 393 CA LYS A 26 7.010 -6.928 -4.713 1.00 65.42 C ATOM 394 C LYS A 26 7.455 -5.516 -5.080 1.00 72.33 C ATOM 395 O LYS A 26 8.650 -5.229 -5.144 1.00 41.03 O ATOM 396 CB LYS A 26 6.836 -7.766 -5.982 1.00 63.33 C ATOM 397 CG LYS A 26 6.287 -9.158 -5.721 1.00 74.43 C ATOM 398 CD LYS A 26 7.150 -9.922 -4.733 1.00 0.12 C ATOM 399 CE LYS A 26 6.586 -11.306 -4.453 1.00 70.41 C ATOM 400 NZ LYS A 26 6.150 -11.453 -3.036 1.00 52.34 N ATOM 0 H LYS A 26 4.956 -7.257 -4.457 1.00 42.33 H new ATOM 0 HA LYS A 26 7.780 -7.381 -4.088 1.00 65.42 H new ATOM 0 HB2 LYS A 26 6.166 -7.242 -6.664 1.00 63.33 H new ATOM 0 HB3 LYS A 26 7.799 -7.853 -6.485 1.00 63.33 H new ATOM 0 HG2 LYS A 26 5.270 -9.082 -5.335 1.00 74.43 H new ATOM 0 HG3 LYS A 26 6.231 -9.710 -6.659 1.00 74.43 H new ATOM 0 HD2 LYS A 26 8.162 -10.014 -5.127 1.00 0.12 H new ATOM 0 HD3 LYS A 26 7.221 -9.361 -3.801 1.00 0.12 H new ATOM 0 HE2 LYS A 26 5.740 -11.494 -5.114 1.00 70.41 H new ATOM 0 HE3 LYS A 26 7.341 -12.058 -4.680 1.00 70.41 H new ATOM 0 HZ1 LYS A 26 5.772 -12.410 -2.887 1.00 52.34 H new ATOM 0 HZ2 LYS A 26 6.962 -11.299 -2.405 1.00 52.34 H new ATOM 0 HZ3 LYS A 26 5.411 -10.752 -2.826 1.00 52.34 H new ATOM 414 N ARG A 27 6.486 -4.639 -5.320 1.00 11.40 N ATOM 415 CA ARG A 27 6.779 -3.257 -5.680 1.00 32.02 C ATOM 416 C ARG A 27 7.363 -2.498 -4.493 1.00 41.22 C ATOM 417 O ARG A 27 8.398 -1.841 -4.612 1.00 10.41 O ATOM 418 CB ARG A 27 5.511 -2.557 -6.173 1.00 35.12 C ATOM 419 CG ARG A 27 5.775 -1.475 -7.208 1.00 1.54 C ATOM 420 CD ARG A 27 5.671 -2.020 -8.623 1.00 31.34 C ATOM 421 NE ARG A 27 6.575 -1.334 -9.541 1.00 71.23 N ATOM 422 CZ ARG A 27 6.402 -0.080 -9.943 1.00 62.05 C ATOM 423 NH1 ARG A 27 5.366 0.621 -9.508 1.00 13.21 N ATOM 424 NH2 ARG A 27 7.269 0.475 -10.781 1.00 41.53 N ATOM 0 H ARG A 27 5.492 -4.861 -5.272 1.00 11.40 H new ATOM 0 HA ARG A 27 7.517 -3.265 -6.482 1.00 32.02 H new ATOM 0 HB2 ARG A 27 4.839 -3.301 -6.601 1.00 35.12 H new ATOM 0 HB3 ARG A 27 4.996 -2.114 -5.321 1.00 35.12 H new ATOM 0 HG2 ARG A 27 5.061 -0.662 -7.077 1.00 1.54 H new ATOM 0 HG3 ARG A 27 6.768 -1.055 -7.051 1.00 1.54 H new ATOM 0 HD2 ARG A 27 5.899 -3.086 -8.619 1.00 31.34 H new ATOM 0 HD3 ARG A 27 4.646 -1.915 -8.978 1.00 31.34 H new ATOM 0 HE ARG A 27 7.384 -1.846 -9.893 1.00 71.23 H new ATOM 0 HH11 ARG A 27 4.699 0.198 -8.863 1.00 13.21 H new ATOM 0 HH12 ARG A 27 5.235 1.584 -9.818 1.00 13.21 H new ATOM 0 HH21 ARG A 27 8.069 -0.062 -11.117 1.00 41.53 H new ATOM 0 HH22 ARG A 27 7.135 1.438 -11.089 1.00 41.53 H new ATOM 438 N SER A 28 6.694 -2.593 -3.349 1.00 3.45 N ATOM 439 CA SER A 28 7.144 -1.911 -2.140 1.00 43.13 C ATOM 440 C SER A 28 8.150 -2.768 -1.377 1.00 3.34 C ATOM 441 O SER A 28 8.617 -2.388 -0.305 1.00 1.44 O ATOM 442 CB SER A 28 5.952 -1.581 -1.241 1.00 1.51 C ATOM 443 OG SER A 28 4.747 -1.540 -1.986 1.00 65.33 O ATOM 0 H SER A 28 5.838 -3.136 -3.233 1.00 3.45 H new ATOM 0 HA SER A 28 7.633 -0.983 -2.436 1.00 43.13 H new ATOM 0 HB2 SER A 28 5.870 -2.328 -0.452 1.00 1.51 H new ATOM 0 HB3 SER A 28 6.115 -0.620 -0.754 1.00 1.51 H new ATOM 0 HG SER A 28 4.527 -2.441 -2.302 1.00 65.33 H new ATOM 449 N ASN A 29 8.478 -3.926 -1.938 1.00 72.14 N ATOM 450 CA ASN A 29 9.428 -4.838 -1.311 1.00 70.23 C ATOM 451 C ASN A 29 8.987 -5.192 0.106 1.00 73.33 C ATOM 452 O ASN A 29 9.816 -5.449 0.978 1.00 32.42 O ATOM 453 CB ASN A 29 10.824 -4.213 -1.282 1.00 60.44 C ATOM 454 CG ASN A 29 11.921 -5.256 -1.182 1.00 45.54 C ATOM 455 OD1 ASN A 29 12.068 -6.106 -2.059 1.00 52.01 O ATOM 456 ND2 ASN A 29 12.700 -5.193 -0.108 1.00 51.20 N ATOM 0 H ASN A 29 8.100 -4.256 -2.826 1.00 72.14 H new ATOM 0 HA ASN A 29 9.460 -5.753 -1.902 1.00 70.23 H new ATOM 0 HB2 ASN A 29 10.972 -3.619 -2.184 1.00 60.44 H new ATOM 0 HB3 ASN A 29 10.896 -3.531 -0.435 1.00 60.44 H new ATOM 0 HD21 ASN A 29 13.456 -5.867 0.014 1.00 51.20 H new ATOM 0 HD22 ASN A 29 12.542 -4.471 0.595 1.00 51.20 H new ATOM 463 N ASN A 30 7.677 -5.203 0.327 1.00 14.22 N ATOM 464 CA ASN A 30 7.125 -5.525 1.639 1.00 51.34 C ATOM 465 C ASN A 30 6.470 -6.903 1.629 1.00 3.22 C ATOM 466 O ASN A 30 6.452 -7.586 0.606 1.00 60.52 O ATOM 467 CB ASN A 30 6.105 -4.465 2.061 1.00 41.15 C ATOM 468 CG ASN A 30 6.722 -3.379 2.921 1.00 45.04 C ATOM 469 OD1 ASN A 30 7.384 -3.784 4.000 1.00 30.30 O flip ATOM 470 ND2 ASN A 30 6.606 -2.191 2.619 1.00 55.14 N flip ATOM 0 H ASN A 30 6.977 -4.993 -0.385 1.00 14.22 H new ATOM 0 HA ASN A 30 7.944 -5.537 2.358 1.00 51.34 H new ATOM 0 HB2 ASN A 30 5.665 -4.014 1.172 1.00 41.15 H new ATOM 0 HB3 ASN A 30 5.294 -4.943 2.611 1.00 41.15 H new ATOM 0 HD21 ASN A 30 6.089 -1.926 1.781 1.00 55.14 H new ATOM 0 HD22 ASN A 30 7.027 -1.472 3.207 1.00 55.14 H new ATOM 477 N SER A 31 5.933 -7.303 2.778 1.00 74.31 N ATOM 478 CA SER A 31 5.279 -8.600 2.904 1.00 71.34 C ATOM 479 C SER A 31 3.764 -8.459 2.793 1.00 4.20 C ATOM 480 O SER A 31 3.215 -7.375 2.992 1.00 24.04 O ATOM 481 CB SER A 31 5.646 -9.253 4.238 1.00 14.31 C ATOM 482 OG SER A 31 5.342 -10.637 4.229 1.00 25.32 O ATOM 0 H SER A 31 5.938 -6.748 3.634 1.00 74.31 H new ATOM 0 HA SER A 31 5.627 -9.235 2.089 1.00 71.34 H new ATOM 0 HB2 SER A 31 6.709 -9.112 4.435 1.00 14.31 H new ATOM 0 HB3 SER A 31 5.104 -8.764 5.047 1.00 14.31 H new ATOM 0 HG SER A 31 5.587 -11.031 5.092 1.00 25.32 H new ATOM 488 N MET A 32 3.094 -9.561 2.473 1.00 22.51 N ATOM 489 CA MET A 32 1.643 -9.560 2.337 1.00 31.45 C ATOM 490 C MET A 32 0.978 -9.018 3.599 1.00 25.01 C ATOM 491 O MET A 32 -0.069 -8.374 3.533 1.00 51.33 O ATOM 492 CB MET A 32 1.135 -10.975 2.047 1.00 10.14 C ATOM 493 CG MET A 32 0.626 -11.159 0.627 1.00 14.40 C ATOM 494 SD MET A 32 -0.414 -12.621 0.446 1.00 2.42 S ATOM 495 CE MET A 32 0.812 -13.858 0.027 1.00 24.04 C ATOM 0 H MET A 32 3.533 -10.466 2.303 1.00 22.51 H new ATOM 0 HA MET A 32 1.383 -8.909 1.502 1.00 31.45 H new ATOM 0 HB2 MET A 32 1.941 -11.686 2.230 1.00 10.14 H new ATOM 0 HB3 MET A 32 0.333 -11.215 2.745 1.00 10.14 H new ATOM 0 HG2 MET A 32 0.060 -10.276 0.331 1.00 14.40 H new ATOM 0 HG3 MET A 32 1.475 -11.236 -0.052 1.00 14.40 H new ATOM 0 HE1 MET A 32 0.323 -14.821 -0.117 1.00 24.04 H new ATOM 0 HE2 MET A 32 1.321 -13.569 -0.892 1.00 24.04 H new ATOM 0 HE3 MET A 32 1.539 -13.938 0.835 1.00 24.04 H new ATOM 505 N SER A 33 1.593 -9.284 4.747 1.00 43.51 N ATOM 506 CA SER A 33 1.059 -8.825 6.024 1.00 23.32 C ATOM 507 C SER A 33 1.361 -7.346 6.240 1.00 43.41 C ATOM 508 O SER A 33 0.673 -6.662 6.998 1.00 3.14 O ATOM 509 CB SER A 33 1.646 -9.650 7.172 1.00 33.40 C ATOM 510 OG SER A 33 0.794 -10.731 7.509 1.00 22.14 O ATOM 0 H SER A 33 2.461 -9.815 4.819 1.00 43.51 H new ATOM 0 HA SER A 33 -0.023 -8.958 6.006 1.00 23.32 H new ATOM 0 HB2 SER A 33 2.627 -10.031 6.886 1.00 33.40 H new ATOM 0 HB3 SER A 33 1.793 -9.013 8.044 1.00 33.40 H new ATOM 0 HG SER A 33 1.191 -11.244 8.243 1.00 22.14 H new ATOM 516 N THR A 34 2.398 -6.855 5.567 1.00 70.03 N ATOM 517 CA THR A 34 2.794 -5.457 5.684 1.00 33.34 C ATOM 518 C THR A 34 1.983 -4.576 4.741 1.00 1.45 C ATOM 519 O THR A 34 1.424 -3.559 5.154 1.00 52.54 O ATOM 520 CB THR A 34 4.293 -5.271 5.382 1.00 33.11 C ATOM 521 OG1 THR A 34 5.069 -6.160 6.192 1.00 64.02 O ATOM 522 CG2 THR A 34 4.722 -3.835 5.641 1.00 0.33 C ATOM 0 H THR A 34 2.979 -7.406 4.935 1.00 70.03 H new ATOM 0 HA THR A 34 2.599 -5.158 6.714 1.00 33.34 H new ATOM 0 HB THR A 34 4.461 -5.499 4.330 1.00 33.11 H new ATOM 0 HG1 THR A 34 6.021 -6.037 5.993 1.00 64.02 H new ATOM 0 HG21 THR A 34 5.784 -3.727 5.421 1.00 0.33 H new ATOM 0 HG22 THR A 34 4.149 -3.163 5.002 1.00 0.33 H new ATOM 0 HG23 THR A 34 4.541 -3.584 6.686 1.00 0.33 H new ATOM 530 N VAL A 35 1.923 -4.970 3.473 1.00 65.10 N ATOM 531 CA VAL A 35 1.180 -4.216 2.472 1.00 15.33 C ATOM 532 C VAL A 35 -0.314 -4.220 2.779 1.00 53.14 C ATOM 533 O VAL A 35 -0.931 -3.165 2.926 1.00 12.52 O ATOM 534 CB VAL A 35 1.404 -4.786 1.059 1.00 3.30 C ATOM 535 CG1 VAL A 35 0.332 -4.284 0.103 1.00 2.35 C ATOM 536 CG2 VAL A 35 2.792 -4.423 0.553 1.00 64.44 C ATOM 0 H VAL A 35 2.381 -5.808 3.115 1.00 65.10 H new ATOM 0 HA VAL A 35 1.553 -3.192 2.506 1.00 15.33 H new ATOM 0 HB VAL A 35 1.332 -5.872 1.109 1.00 3.30 H new ATOM 0 HG11 VAL A 35 0.507 -4.698 -0.890 1.00 2.35 H new ATOM 0 HG12 VAL A 35 -0.649 -4.598 0.459 1.00 2.35 H new ATOM 0 HG13 VAL A 35 0.369 -3.196 0.054 1.00 2.35 H new ATOM 0 HG21 VAL A 35 2.934 -4.834 -0.447 1.00 64.44 H new ATOM 0 HG22 VAL A 35 2.894 -3.338 0.518 1.00 64.44 H new ATOM 0 HG23 VAL A 35 3.544 -4.837 1.225 1.00 64.44 H new ATOM 546 N TYR A 36 -0.889 -5.413 2.872 1.00 32.55 N ATOM 547 CA TYR A 36 -2.312 -5.556 3.160 1.00 55.24 C ATOM 548 C TYR A 36 -2.700 -4.759 4.402 1.00 51.44 C ATOM 549 O TYR A 36 -3.755 -4.127 4.445 1.00 62.23 O ATOM 550 CB TYR A 36 -2.669 -7.030 3.354 1.00 74.53 C ATOM 551 CG TYR A 36 -4.137 -7.330 3.145 1.00 11.31 C ATOM 552 CD1 TYR A 36 -5.095 -6.859 4.035 1.00 74.45 C ATOM 553 CD2 TYR A 36 -4.565 -8.083 2.059 1.00 51.21 C ATOM 554 CE1 TYR A 36 -6.437 -7.131 3.849 1.00 61.54 C ATOM 555 CE2 TYR A 36 -5.905 -8.359 1.864 1.00 30.14 C ATOM 556 CZ TYR A 36 -6.837 -7.881 2.762 1.00 53.21 C ATOM 557 OH TYR A 36 -8.173 -8.153 2.572 1.00 5.31 O ATOM 0 H TYR A 36 -0.392 -6.296 2.752 1.00 32.55 H new ATOM 0 HA TYR A 36 -2.870 -5.163 2.310 1.00 55.24 H new ATOM 0 HB2 TYR A 36 -2.081 -7.632 2.661 1.00 74.53 H new ATOM 0 HB3 TYR A 36 -2.384 -7.335 4.361 1.00 74.53 H new ATOM 0 HD1 TYR A 36 -4.785 -6.271 4.886 1.00 74.45 H new ATOM 0 HD2 TYR A 36 -3.838 -8.459 1.355 1.00 51.21 H new ATOM 0 HE1 TYR A 36 -7.169 -6.759 4.551 1.00 61.54 H new ATOM 0 HE2 TYR A 36 -6.221 -8.945 1.014 1.00 30.14 H new ATOM 0 HH TYR A 36 -8.285 -8.691 1.760 1.00 5.31 H new ATOM 567 N LYS A 37 -1.836 -4.794 5.412 1.00 74.13 N ATOM 568 CA LYS A 37 -2.085 -4.074 6.655 1.00 41.03 C ATOM 569 C LYS A 37 -2.200 -2.575 6.402 1.00 2.33 C ATOM 570 O LYS A 37 -2.908 -1.867 7.120 1.00 22.42 O ATOM 571 CB LYS A 37 -0.962 -4.348 7.659 1.00 30.55 C ATOM 572 CG LYS A 37 -1.055 -3.506 8.920 1.00 52.35 C ATOM 573 CD LYS A 37 -0.090 -3.992 9.988 1.00 52.04 C ATOM 574 CE LYS A 37 0.845 -2.882 10.442 1.00 40.55 C ATOM 575 NZ LYS A 37 2.036 -2.761 9.554 1.00 60.41 N ATOM 0 H LYS A 37 -0.958 -5.313 5.394 1.00 74.13 H new ATOM 0 HA LYS A 37 -3.029 -4.428 7.068 1.00 41.03 H new ATOM 0 HB2 LYS A 37 -0.981 -5.403 7.934 1.00 30.55 H new ATOM 0 HB3 LYS A 37 -0.002 -4.162 7.178 1.00 30.55 H new ATOM 0 HG2 LYS A 37 -0.839 -2.465 8.680 1.00 52.35 H new ATOM 0 HG3 LYS A 37 -2.074 -3.539 9.306 1.00 52.35 H new ATOM 0 HD2 LYS A 37 -0.652 -4.368 10.843 1.00 52.04 H new ATOM 0 HD3 LYS A 37 0.495 -4.825 9.599 1.00 52.04 H new ATOM 0 HE2 LYS A 37 0.305 -1.935 10.456 1.00 40.55 H new ATOM 0 HE3 LYS A 37 1.172 -3.078 11.463 1.00 40.55 H new ATOM 0 HZ1 LYS A 37 2.648 -1.994 9.897 1.00 60.41 H new ATOM 0 HZ2 LYS A 37 2.566 -3.656 9.560 1.00 60.41 H new ATOM 0 HZ3 LYS A 37 1.726 -2.549 8.584 1.00 60.41 H new ATOM 589 N ALA A 38 -1.502 -2.096 5.379 1.00 61.31 N ATOM 590 CA ALA A 38 -1.530 -0.681 5.030 1.00 50.24 C ATOM 591 C ALA A 38 -2.809 -0.325 4.282 1.00 32.42 C ATOM 592 O ALA A 38 -3.427 0.707 4.544 1.00 13.15 O ATOM 593 CB ALA A 38 -0.310 -0.319 4.195 1.00 72.11 C ATOM 0 H ALA A 38 -0.909 -2.667 4.776 1.00 61.31 H new ATOM 0 HA ALA A 38 -1.509 -0.104 5.955 1.00 50.24 H new ATOM 0 HB1 ALA A 38 -0.344 0.741 3.942 1.00 72.11 H new ATOM 0 HB2 ALA A 38 0.596 -0.527 4.765 1.00 72.11 H new ATOM 0 HB3 ALA A 38 -0.307 -0.911 3.280 1.00 72.11 H new ATOM 599 N LEU A 39 -3.202 -1.185 3.348 1.00 3.31 N ATOM 600 CA LEU A 39 -4.410 -0.960 2.560 1.00 43.21 C ATOM 601 C LEU A 39 -5.626 -0.793 3.465 1.00 54.24 C ATOM 602 O LEU A 39 -6.393 0.159 3.319 1.00 23.24 O ATOM 603 CB LEU A 39 -4.635 -2.123 1.594 1.00 70.53 C ATOM 604 CG LEU A 39 -3.429 -2.538 0.750 1.00 63.43 C ATOM 605 CD1 LEU A 39 -3.755 -3.772 -0.078 1.00 25.53 C ATOM 606 CD2 LEU A 39 -2.987 -1.393 -0.150 1.00 32.12 C ATOM 0 H LEU A 39 -2.702 -2.044 3.118 1.00 3.31 H new ATOM 0 HA LEU A 39 -4.277 -0.042 1.988 1.00 43.21 H new ATOM 0 HB2 LEU A 39 -4.966 -2.988 2.169 1.00 70.53 H new ATOM 0 HB3 LEU A 39 -5.450 -1.857 0.921 1.00 70.53 H new ATOM 0 HG LEU A 39 -2.607 -2.783 1.423 1.00 63.43 H new ATOM 0 HD11 LEU A 39 -2.885 -4.052 -0.672 1.00 25.53 H new ATOM 0 HD12 LEU A 39 -4.022 -4.595 0.585 1.00 25.53 H new ATOM 0 HD13 LEU A 39 -4.592 -3.554 -0.741 1.00 25.53 H new ATOM 0 HD21 LEU A 39 -2.128 -1.707 -0.743 1.00 32.12 H new ATOM 0 HD22 LEU A 39 -3.805 -1.116 -0.815 1.00 32.12 H new ATOM 0 HD23 LEU A 39 -2.711 -0.535 0.462 1.00 32.12 H new ATOM 618 N GLU A 40 -5.795 -1.723 4.400 1.00 61.23 N ATOM 619 CA GLU A 40 -6.918 -1.677 5.329 1.00 53.11 C ATOM 620 C GLU A 40 -6.907 -0.378 6.131 1.00 72.13 C ATOM 621 O GLU A 40 -7.957 0.135 6.518 1.00 11.13 O ATOM 622 CB GLU A 40 -6.873 -2.876 6.277 1.00 11.22 C ATOM 623 CG GLU A 40 -5.559 -3.009 7.029 1.00 21.44 C ATOM 624 CD GLU A 40 -5.656 -3.956 8.210 1.00 35.12 C ATOM 625 OE1 GLU A 40 -6.360 -4.981 8.090 1.00 3.44 O ATOM 626 OE2 GLU A 40 -5.029 -3.672 9.252 1.00 72.34 O ATOM 0 H GLU A 40 -5.169 -2.517 4.534 1.00 61.23 H new ATOM 0 HA GLU A 40 -7.840 -1.717 4.748 1.00 53.11 H new ATOM 0 HB2 GLU A 40 -7.687 -2.790 6.997 1.00 11.22 H new ATOM 0 HB3 GLU A 40 -7.048 -3.787 5.705 1.00 11.22 H new ATOM 0 HG2 GLU A 40 -4.788 -3.364 6.346 1.00 21.44 H new ATOM 0 HG3 GLU A 40 -5.245 -2.026 7.381 1.00 21.44 H new ATOM 633 N LYS A 41 -5.712 0.147 6.378 1.00 3.21 N ATOM 634 CA LYS A 41 -5.562 1.386 7.133 1.00 60.20 C ATOM 635 C LYS A 41 -5.858 2.597 6.256 1.00 40.30 C ATOM 636 O LYS A 41 -6.470 3.568 6.705 1.00 71.31 O ATOM 637 CB LYS A 41 -4.146 1.489 7.706 1.00 51.44 C ATOM 638 CG LYS A 41 -4.106 1.549 9.222 1.00 1.45 C ATOM 639 CD LYS A 41 -3.902 0.172 9.830 1.00 52.04 C ATOM 640 CE LYS A 41 -5.221 -0.440 10.279 1.00 3.43 C ATOM 641 NZ LYS A 41 -5.546 -0.080 11.687 1.00 32.45 N ATOM 0 H LYS A 41 -4.833 -0.266 6.066 1.00 3.21 H new ATOM 0 HA LYS A 41 -6.279 1.372 7.954 1.00 60.20 H new ATOM 0 HB2 LYS A 41 -3.564 0.631 7.369 1.00 51.44 H new ATOM 0 HB3 LYS A 41 -3.664 2.380 7.303 1.00 51.44 H new ATOM 0 HG2 LYS A 41 -3.300 2.211 9.540 1.00 1.45 H new ATOM 0 HG3 LYS A 41 -5.036 1.978 9.595 1.00 1.45 H new ATOM 0 HD2 LYS A 41 -3.426 -0.482 9.100 1.00 52.04 H new ATOM 0 HD3 LYS A 41 -3.225 0.246 10.681 1.00 52.04 H new ATOM 0 HE2 LYS A 41 -6.022 -0.100 9.623 1.00 3.43 H new ATOM 0 HE3 LYS A 41 -5.170 -1.525 10.184 1.00 3.43 H new ATOM 0 HZ1 LYS A 41 -6.451 -0.515 11.957 1.00 32.45 H new ATOM 0 HZ2 LYS A 41 -4.794 -0.427 12.316 1.00 32.45 H new ATOM 0 HZ3 LYS A 41 -5.620 0.954 11.773 1.00 32.45 H new ATOM 655 N LEU A 42 -5.420 2.536 5.003 1.00 52.44 N ATOM 656 CA LEU A 42 -5.639 3.628 4.061 1.00 0.44 C ATOM 657 C LEU A 42 -7.113 3.731 3.679 1.00 65.43 C ATOM 658 O LEU A 42 -7.705 4.807 3.739 1.00 51.32 O ATOM 659 CB LEU A 42 -4.787 3.425 2.807 1.00 35.53 C ATOM 660 CG LEU A 42 -3.272 3.442 3.014 1.00 34.34 C ATOM 661 CD1 LEU A 42 -2.604 2.391 2.142 1.00 63.53 C ATOM 662 CD2 LEU A 42 -2.709 4.824 2.715 1.00 24.43 C ATOM 0 H LEU A 42 -4.911 1.741 4.616 1.00 52.44 H new ATOM 0 HA LEU A 42 -5.343 4.558 4.546 1.00 0.44 H new ATOM 0 HB2 LEU A 42 -5.061 2.471 2.356 1.00 35.53 H new ATOM 0 HB3 LEU A 42 -5.044 4.203 2.088 1.00 35.53 H new ATOM 0 HG LEU A 42 -3.063 3.205 4.057 1.00 34.34 H new ATOM 0 HD11 LEU A 42 -1.526 2.417 2.302 1.00 63.53 H new ATOM 0 HD12 LEU A 42 -2.986 1.404 2.404 1.00 63.53 H new ATOM 0 HD13 LEU A 42 -2.820 2.597 1.094 1.00 63.53 H new ATOM 0 HD21 LEU A 42 -1.630 4.818 2.867 1.00 24.43 H new ATOM 0 HD22 LEU A 42 -2.928 5.090 1.681 1.00 24.43 H new ATOM 0 HD23 LEU A 42 -3.166 5.555 3.382 1.00 24.43 H new ATOM 674 N GLU A 43 -7.697 2.602 3.289 1.00 44.22 N ATOM 675 CA GLU A 43 -9.101 2.565 2.899 1.00 52.42 C ATOM 676 C GLU A 43 -9.987 3.135 4.002 1.00 21.34 C ATOM 677 O GLU A 43 -10.978 3.812 3.730 1.00 50.41 O ATOM 678 CB GLU A 43 -9.527 1.131 2.577 1.00 52.24 C ATOM 679 CG GLU A 43 -10.533 1.035 1.443 1.00 70.21 C ATOM 680 CD GLU A 43 -10.942 -0.395 1.145 1.00 35.23 C ATOM 681 OE1 GLU A 43 -10.301 -1.319 1.688 1.00 75.35 O ATOM 682 OE2 GLU A 43 -11.902 -0.589 0.371 1.00 13.22 O ATOM 0 H GLU A 43 -7.220 1.702 3.235 1.00 44.22 H new ATOM 0 HA GLU A 43 -9.220 3.180 2.007 1.00 52.42 H new ATOM 0 HB2 GLU A 43 -8.643 0.548 2.318 1.00 52.24 H new ATOM 0 HB3 GLU A 43 -9.956 0.679 3.471 1.00 52.24 H new ATOM 0 HG2 GLU A 43 -11.419 1.617 1.698 1.00 70.21 H new ATOM 0 HG3 GLU A 43 -10.106 1.482 0.545 1.00 70.21 H new ATOM 689 N ALA A 44 -9.624 2.854 5.250 1.00 61.04 N ATOM 690 CA ALA A 44 -10.384 3.339 6.394 1.00 14.23 C ATOM 691 C ALA A 44 -10.353 4.862 6.469 1.00 4.31 C ATOM 692 O ALA A 44 -11.221 5.481 7.083 1.00 75.31 O ATOM 693 CB ALA A 44 -9.845 2.733 7.682 1.00 42.14 C ATOM 0 H ALA A 44 -8.808 2.293 5.493 1.00 61.04 H new ATOM 0 HA ALA A 44 -11.421 3.029 6.267 1.00 14.23 H new ATOM 0 HB1 ALA A 44 -10.423 3.104 8.528 1.00 42.14 H new ATOM 0 HB2 ALA A 44 -9.927 1.647 7.635 1.00 42.14 H new ATOM 0 HB3 ALA A 44 -8.799 3.013 7.806 1.00 42.14 H new ATOM 699 N MET A 45 -9.344 5.459 5.843 1.00 42.31 N ATOM 700 CA MET A 45 -9.199 6.910 5.839 1.00 12.25 C ATOM 701 C MET A 45 -9.694 7.503 4.523 1.00 25.21 C ATOM 702 O MET A 45 -10.091 8.666 4.466 1.00 51.35 O ATOM 703 CB MET A 45 -7.738 7.299 6.070 1.00 14.51 C ATOM 704 CG MET A 45 -7.248 7.015 7.480 1.00 35.44 C ATOM 705 SD MET A 45 -7.921 8.165 8.695 1.00 12.30 S ATOM 706 CE MET A 45 -7.613 7.271 10.216 1.00 32.42 C ATOM 0 H MET A 45 -8.615 4.961 5.332 1.00 42.31 H new ATOM 0 HA MET A 45 -9.807 7.313 6.649 1.00 12.25 H new ATOM 0 HB2 MET A 45 -7.111 6.759 5.361 1.00 14.51 H new ATOM 0 HB3 MET A 45 -7.616 8.361 5.859 1.00 14.51 H new ATOM 0 HG2 MET A 45 -7.523 5.997 7.758 1.00 35.44 H new ATOM 0 HG3 MET A 45 -6.159 7.068 7.500 1.00 35.44 H new ATOM 0 HE1 MET A 45 -7.975 7.856 11.062 1.00 32.42 H new ATOM 0 HE2 MET A 45 -8.134 6.314 10.187 1.00 32.42 H new ATOM 0 HE3 MET A 45 -6.542 7.098 10.326 1.00 32.42 H new ATOM 716 N GLY A 46 -9.668 6.694 3.468 1.00 3.31 N ATOM 717 CA GLY A 46 -10.116 7.157 2.167 1.00 4.04 C ATOM 718 C GLY A 46 -8.969 7.622 1.292 1.00 73.03 C ATOM 719 O GLY A 46 -9.157 8.449 0.399 1.00 21.24 O ATOM 0 H GLY A 46 -9.345 5.727 3.491 1.00 3.31 H new ATOM 0 HA2 GLY A 46 -10.651 6.352 1.663 1.00 4.04 H new ATOM 0 HA3 GLY A 46 -10.823 7.976 2.300 1.00 4.04 H new ATOM 723 N ARG A 47 -7.778 7.090 1.547 1.00 53.20 N ATOM 724 CA ARG A 47 -6.596 7.459 0.777 1.00 41.11 C ATOM 725 C ARG A 47 -6.544 6.689 -0.540 1.00 50.02 C ATOM 726 O ARG A 47 -6.200 7.246 -1.583 1.00 43.52 O ATOM 727 CB ARG A 47 -5.328 7.190 1.588 1.00 71.32 C ATOM 728 CG ARG A 47 -5.435 7.611 3.044 1.00 51.23 C ATOM 729 CD ARG A 47 -5.808 9.080 3.172 1.00 24.34 C ATOM 730 NE ARG A 47 -4.832 9.824 3.964 1.00 12.20 N ATOM 731 CZ ARG A 47 -3.679 10.271 3.479 1.00 64.13 C ATOM 732 NH1 ARG A 47 -3.358 10.049 2.212 1.00 74.33 N ATOM 733 NH2 ARG A 47 -2.843 10.941 4.262 1.00 65.40 N ATOM 0 H ARG A 47 -7.606 6.402 2.280 1.00 53.20 H new ATOM 0 HA ARG A 47 -6.656 8.524 0.554 1.00 41.11 H new ATOM 0 HB2 ARG A 47 -5.097 6.126 1.542 1.00 71.32 H new ATOM 0 HB3 ARG A 47 -4.493 7.717 1.127 1.00 71.32 H new ATOM 0 HG2 ARG A 47 -6.184 6.999 3.547 1.00 51.23 H new ATOM 0 HG3 ARG A 47 -4.485 7.430 3.547 1.00 51.23 H new ATOM 0 HD2 ARG A 47 -5.883 9.523 2.179 1.00 24.34 H new ATOM 0 HD3 ARG A 47 -6.791 9.166 3.634 1.00 24.34 H new ATOM 0 HE ARG A 47 -5.048 10.011 4.943 1.00 12.20 H new ATOM 0 HH11 ARG A 47 -3.997 9.534 1.607 1.00 74.33 H new ATOM 0 HH12 ARG A 47 -2.472 10.394 1.842 1.00 74.33 H new ATOM 0 HH21 ARG A 47 -3.085 11.113 5.238 1.00 65.40 H new ATOM 0 HH22 ARG A 47 -1.958 11.284 3.888 1.00 65.40 H new ATOM 747 N ILE A 48 -6.888 5.407 -0.484 1.00 60.13 N ATOM 748 CA ILE A 48 -6.880 4.562 -1.671 1.00 12.01 C ATOM 749 C ILE A 48 -8.263 4.502 -2.312 1.00 20.35 C ATOM 750 O ILE A 48 -8.675 3.464 -2.830 1.00 72.32 O ATOM 751 CB ILE A 48 -6.417 3.130 -1.341 1.00 1.54 C ATOM 752 CG1 ILE A 48 -7.315 2.517 -0.264 1.00 42.14 C ATOM 753 CG2 ILE A 48 -4.965 3.135 -0.888 1.00 40.05 C ATOM 754 CD1 ILE A 48 -6.978 1.077 0.054 1.00 23.14 C ATOM 0 H ILE A 48 -7.176 4.931 0.371 1.00 60.13 H new ATOM 0 HA ILE A 48 -6.176 5.010 -2.372 1.00 12.01 H new ATOM 0 HB ILE A 48 -6.494 2.521 -2.242 1.00 1.54 H new ATOM 0 HG12 ILE A 48 -7.234 3.111 0.647 1.00 42.14 H new ATOM 0 HG13 ILE A 48 -8.353 2.575 -0.591 1.00 42.14 H new ATOM 0 HG21 ILE A 48 -4.652 2.116 -0.658 1.00 40.05 H new ATOM 0 HG22 ILE A 48 -4.337 3.537 -1.683 1.00 40.05 H new ATOM 0 HG23 ILE A 48 -4.864 3.755 0.003 1.00 40.05 H new ATOM 0 HD11 ILE A 48 -7.654 0.707 0.825 1.00 23.14 H new ATOM 0 HD12 ILE A 48 -7.087 0.471 -0.845 1.00 23.14 H new ATOM 0 HD13 ILE A 48 -5.950 1.014 0.412 1.00 23.14 H new ATOM 1035 N THR A 62 -12.453 28.909 -19.274 1.00 71.12 N ATOM 1036 CA THR A 62 -12.196 29.941 -18.278 1.00 70.51 C ATOM 1037 C THR A 62 -13.160 29.822 -17.103 1.00 22.34 C ATOM 1038 O THR A 62 -14.084 29.009 -17.127 1.00 25.34 O ATOM 1039 CB THR A 62 -12.317 31.351 -18.885 1.00 11.24 C ATOM 1040 OG1 THR A 62 -12.124 31.293 -20.303 1.00 2.11 O ATOM 1041 CG2 THR A 62 -11.297 32.295 -18.268 1.00 3.31 C ATOM 0 HA THR A 62 -11.176 29.792 -17.925 1.00 70.51 H new ATOM 0 HB THR A 62 -13.316 31.730 -18.670 1.00 11.24 H new ATOM 0 HG1 THR A 62 -12.357 30.399 -20.629 1.00 2.11 H new ATOM 0 HG21 THR A 62 -11.402 33.285 -18.712 1.00 3.31 H new ATOM 0 HG22 THR A 62 -11.465 32.360 -17.193 1.00 3.31 H new ATOM 0 HG23 THR A 62 -10.292 31.918 -18.456 1.00 3.31 H new ATOM 1049 N GLU A 63 -12.938 30.637 -16.077 1.00 13.21 N ATOM 1050 CA GLU A 63 -13.789 30.622 -14.892 1.00 33.03 C ATOM 1051 C GLU A 63 -15.192 31.123 -15.223 1.00 42.10 C ATOM 1052 O GLU A 63 -16.171 30.709 -14.603 1.00 75.43 O ATOM 1053 CB GLU A 63 -13.176 31.483 -13.785 1.00 51.34 C ATOM 1054 CG GLU A 63 -12.245 30.716 -12.863 1.00 64.04 C ATOM 1055 CD GLU A 63 -11.606 31.601 -11.811 1.00 1.11 C ATOM 1056 OE1 GLU A 63 -12.261 32.569 -11.371 1.00 75.22 O ATOM 1057 OE2 GLU A 63 -10.449 31.326 -11.426 1.00 74.44 O ATOM 0 H GLU A 63 -12.177 31.315 -16.042 1.00 13.21 H new ATOM 0 HA GLU A 63 -13.863 29.592 -14.542 1.00 33.03 H new ATOM 0 HB2 GLU A 63 -12.626 32.307 -14.240 1.00 51.34 H new ATOM 0 HB3 GLU A 63 -13.978 31.924 -13.193 1.00 51.34 H new ATOM 0 HG2 GLU A 63 -12.802 29.918 -12.372 1.00 64.04 H new ATOM 0 HG3 GLU A 63 -11.464 30.240 -13.456 1.00 64.04 H new ATOM 1064 N GLU A 64 -15.279 32.016 -16.203 1.00 32.15 N ATOM 1065 CA GLU A 64 -16.562 32.575 -16.615 1.00 71.33 C ATOM 1066 C GLU A 64 -17.354 31.566 -17.442 1.00 25.45 C ATOM 1067 O GLU A 64 -18.584 31.554 -17.412 1.00 53.22 O ATOM 1068 CB GLU A 64 -16.349 33.857 -17.423 1.00 30.52 C ATOM 1069 CG GLU A 64 -16.892 35.102 -16.741 1.00 13.22 C ATOM 1070 CD GLU A 64 -17.250 36.197 -17.727 1.00 14.14 C ATOM 1071 OE1 GLU A 64 -17.772 35.869 -18.813 1.00 34.10 O ATOM 1072 OE2 GLU A 64 -17.008 37.381 -17.413 1.00 21.42 O ATOM 0 H GLU A 64 -14.477 32.368 -16.726 1.00 32.15 H new ATOM 0 HA GLU A 64 -17.132 32.811 -15.716 1.00 71.33 H new ATOM 0 HB2 GLU A 64 -15.283 33.989 -17.606 1.00 30.52 H new ATOM 0 HB3 GLU A 64 -16.828 33.747 -18.396 1.00 30.52 H new ATOM 0 HG2 GLU A 64 -17.776 34.838 -16.160 1.00 13.22 H new ATOM 0 HG3 GLU A 64 -16.150 35.480 -16.038 1.00 13.22 H new ATOM 1079 N GLU A 65 -16.639 30.721 -18.177 1.00 40.04 N ATOM 1080 CA GLU A 65 -17.275 29.709 -19.013 1.00 11.22 C ATOM 1081 C GLU A 65 -17.935 28.632 -18.157 1.00 22.24 C ATOM 1082 O GLU A 65 -19.067 28.222 -18.417 1.00 41.13 O ATOM 1083 CB GLU A 65 -16.249 29.071 -19.952 1.00 43.30 C ATOM 1084 CG GLU A 65 -16.207 29.709 -21.331 1.00 31.44 C ATOM 1085 CD GLU A 65 -15.477 31.037 -21.338 1.00 14.34 C ATOM 1086 OE1 GLU A 65 -15.878 31.938 -20.571 1.00 21.52 O ATOM 1087 OE2 GLU A 65 -14.505 31.177 -22.109 1.00 32.12 O ATOM 0 H GLU A 65 -15.620 30.717 -18.211 1.00 40.04 H new ATOM 0 HA GLU A 65 -18.045 30.199 -19.608 1.00 11.22 H new ATOM 0 HB2 GLU A 65 -15.260 29.141 -19.498 1.00 43.30 H new ATOM 0 HB3 GLU A 65 -16.476 28.010 -20.058 1.00 43.30 H new ATOM 0 HG2 GLU A 65 -15.719 29.027 -22.028 1.00 31.44 H new ATOM 0 HG3 GLU A 65 -17.226 29.857 -21.690 1.00 31.44 H new ATOM 1094 N LEU A 66 -17.219 28.177 -17.134 1.00 11.42 N ATOM 1095 CA LEU A 66 -17.734 27.147 -16.238 1.00 5.31 C ATOM 1096 C LEU A 66 -18.906 27.676 -15.418 1.00 31.41 C ATOM 1097 O LEU A 66 -19.804 26.922 -15.043 1.00 23.35 O ATOM 1098 CB LEU A 66 -16.625 26.655 -15.305 1.00 74.53 C ATOM 1099 CG LEU A 66 -16.387 27.490 -14.047 1.00 23.51 C ATOM 1100 CD1 LEU A 66 -17.276 27.008 -12.911 1.00 5.03 C ATOM 1101 CD2 LEU A 66 -14.922 27.434 -13.640 1.00 2.43 C ATOM 0 H LEU A 66 -16.281 28.505 -16.905 1.00 11.42 H new ATOM 0 HA LEU A 66 -18.086 26.313 -16.846 1.00 5.31 H new ATOM 0 HB2 LEU A 66 -16.860 25.635 -15.001 1.00 74.53 H new ATOM 0 HB3 LEU A 66 -15.694 26.613 -15.870 1.00 74.53 H new ATOM 0 HG LEU A 66 -16.643 28.526 -14.267 1.00 23.51 H new ATOM 0 HD11 LEU A 66 -17.093 27.614 -12.024 1.00 5.03 H new ATOM 0 HD12 LEU A 66 -18.322 27.100 -13.204 1.00 5.03 H new ATOM 0 HD13 LEU A 66 -17.051 25.965 -12.691 1.00 5.03 H new ATOM 0 HD21 LEU A 66 -14.770 28.034 -12.743 1.00 2.43 H new ATOM 0 HD22 LEU A 66 -14.640 26.401 -13.438 1.00 2.43 H new ATOM 0 HD23 LEU A 66 -14.305 27.827 -14.448 1.00 2.43 H new ATOM 1113 N ALA A 67 -18.893 28.976 -15.145 1.00 62.11 N ATOM 1114 CA ALA A 67 -19.957 29.605 -14.373 1.00 14.41 C ATOM 1115 C ALA A 67 -21.176 29.887 -15.246 1.00 43.42 C ATOM 1116 O ALA A 67 -22.308 29.899 -14.765 1.00 13.33 O ATOM 1117 CB ALA A 67 -19.456 30.892 -13.733 1.00 63.22 C ATOM 0 H ALA A 67 -18.157 29.614 -15.447 1.00 62.11 H new ATOM 0 HA ALA A 67 -20.258 28.913 -13.586 1.00 14.41 H new ATOM 0 HB1 ALA A 67 -20.262 31.351 -13.160 1.00 63.22 H new ATOM 0 HB2 ALA A 67 -18.621 30.667 -13.070 1.00 63.22 H new ATOM 0 HB3 ALA A 67 -19.126 31.581 -14.511 1.00 63.22 H new ATOM 1123 N THR A 68 -20.935 30.115 -16.533 1.00 43.05 N ATOM 1124 CA THR A 68 -22.012 30.399 -17.474 1.00 2.34 C ATOM 1125 C THR A 68 -22.646 29.112 -17.988 1.00 31.24 C ATOM 1126 O THR A 68 -23.871 28.988 -18.033 1.00 5.23 O ATOM 1127 CB THR A 68 -21.508 31.223 -18.673 1.00 51.24 C ATOM 1128 OG1 THR A 68 -20.987 32.479 -18.221 1.00 72.30 O ATOM 1129 CG2 THR A 68 -22.628 31.464 -19.674 1.00 61.13 C ATOM 0 H THR A 68 -20.003 30.109 -16.948 1.00 43.05 H new ATOM 0 HA THR A 68 -22.760 30.979 -16.933 1.00 2.34 H new ATOM 0 HB THR A 68 -20.717 30.658 -19.166 1.00 51.24 H new ATOM 0 HG1 THR A 68 -20.080 32.351 -17.872 1.00 72.30 H new ATOM 0 HG21 THR A 68 -22.248 32.048 -20.512 1.00 61.13 H new ATOM 0 HG22 THR A 68 -23.002 30.507 -20.039 1.00 61.13 H new ATOM 0 HG23 THR A 68 -23.438 32.009 -19.190 1.00 61.13 H new ATOM 1137 N ILE A 69 -21.808 28.157 -18.373 1.00 71.33 N ATOM 1138 CA ILE A 69 -22.288 26.877 -18.881 1.00 54.52 C ATOM 1139 C ILE A 69 -23.201 26.192 -17.871 1.00 13.44 C ATOM 1140 O ILE A 69 -24.193 25.563 -18.242 1.00 24.02 O ATOM 1141 CB ILE A 69 -21.121 25.933 -19.226 1.00 3.52 C ATOM 1142 CG1 ILE A 69 -21.649 24.637 -19.841 1.00 72.44 C ATOM 1143 CG2 ILE A 69 -20.296 25.638 -17.981 1.00 51.34 C ATOM 1144 CD1 ILE A 69 -20.566 23.768 -20.443 1.00 15.45 C ATOM 0 H ILE A 69 -20.792 28.245 -18.343 1.00 71.33 H new ATOM 0 HA ILE A 69 -22.851 27.090 -19.790 1.00 54.52 H new ATOM 0 HB ILE A 69 -20.479 26.423 -19.958 1.00 3.52 H new ATOM 0 HG12 ILE A 69 -22.175 24.069 -19.074 1.00 72.44 H new ATOM 0 HG13 ILE A 69 -22.378 24.882 -20.613 1.00 72.44 H new ATOM 0 HG21 ILE A 69 -19.474 24.970 -18.239 1.00 51.34 H new ATOM 0 HG22 ILE A 69 -19.894 26.569 -17.582 1.00 51.34 H new ATOM 0 HG23 ILE A 69 -20.928 25.164 -17.230 1.00 51.34 H new ATOM 0 HD11 ILE A 69 -21.013 22.866 -20.860 1.00 15.45 H new ATOM 0 HD12 ILE A 69 -20.055 24.319 -21.233 1.00 15.45 H new ATOM 0 HD13 ILE A 69 -19.849 23.493 -19.670 1.00 15.45 H new ATOM 1156 N ARG A 70 -22.861 26.320 -16.593 1.00 11.20 N ATOM 1157 CA ARG A 70 -23.651 25.713 -15.528 1.00 42.21 C ATOM 1158 C ARG A 70 -25.103 26.177 -15.596 1.00 30.10 C ATOM 1159 O ARG A 70 -26.005 25.495 -15.112 1.00 22.44 O ATOM 1160 CB ARG A 70 -23.057 26.061 -14.161 1.00 43.43 C ATOM 1161 CG ARG A 70 -23.406 27.462 -13.684 1.00 30.20 C ATOM 1162 CD ARG A 70 -24.569 27.442 -12.704 1.00 62.25 C ATOM 1163 NE ARG A 70 -24.122 27.590 -11.322 1.00 15.44 N ATOM 1164 CZ ARG A 70 -23.693 28.737 -10.808 1.00 13.30 C ATOM 1165 NH1 ARG A 70 -23.652 29.830 -11.558 1.00 12.51 N ATOM 1166 NH2 ARG A 70 -23.304 28.793 -9.541 1.00 24.20 N ATOM 0 H ARG A 70 -22.044 26.838 -16.270 1.00 11.20 H new ATOM 0 HA ARG A 70 -23.626 24.632 -15.663 1.00 42.21 H new ATOM 0 HB2 ARG A 70 -23.410 25.338 -13.426 1.00 43.43 H new ATOM 0 HB3 ARG A 70 -21.973 25.963 -14.210 1.00 43.43 H new ATOM 0 HG2 ARG A 70 -22.535 27.913 -13.208 1.00 30.20 H new ATOM 0 HG3 ARG A 70 -23.661 28.086 -14.540 1.00 30.20 H new ATOM 0 HD2 ARG A 70 -25.263 28.246 -12.949 1.00 62.25 H new ATOM 0 HD3 ARG A 70 -25.116 26.505 -12.810 1.00 62.25 H new ATOM 0 HE ARG A 70 -24.140 26.768 -10.719 1.00 15.44 H new ATOM 0 HH11 ARG A 70 -23.950 29.791 -12.533 1.00 12.51 H new ATOM 0 HH12 ARG A 70 -23.322 30.709 -11.160 1.00 12.51 H new ATOM 0 HH21 ARG A 70 -23.334 27.955 -8.961 1.00 24.20 H new ATOM 0 HH22 ARG A 70 -22.975 29.674 -9.147 1.00 24.20 H new ATOM 1180 N GLU A 71 -25.319 27.342 -16.200 1.00 30.20 N ATOM 1181 CA GLU A 71 -26.662 27.896 -16.329 1.00 22.01 C ATOM 1182 C GLU A 71 -27.607 26.888 -16.978 1.00 44.33 C ATOM 1183 O GLU A 71 -28.805 26.870 -16.692 1.00 64.12 O ATOM 1184 CB GLU A 71 -26.628 29.184 -17.154 1.00 31.01 C ATOM 1185 CG GLU A 71 -27.855 30.061 -16.965 1.00 60.20 C ATOM 1186 CD GLU A 71 -27.952 31.160 -18.004 1.00 72.31 C ATOM 1187 OE1 GLU A 71 -27.250 31.070 -19.033 1.00 70.31 O ATOM 1188 OE2 GLU A 71 -28.731 32.112 -17.788 1.00 73.55 O ATOM 0 H GLU A 71 -24.583 27.919 -16.607 1.00 30.20 H new ATOM 0 HA GLU A 71 -27.032 28.122 -15.329 1.00 22.01 H new ATOM 0 HB2 GLU A 71 -25.739 29.755 -16.885 1.00 31.01 H new ATOM 0 HB3 GLU A 71 -26.534 28.927 -18.209 1.00 31.01 H new ATOM 0 HG2 GLU A 71 -28.751 29.441 -17.012 1.00 60.20 H new ATOM 0 HG3 GLU A 71 -27.828 30.507 -15.971 1.00 60.20 H new ATOM 1195 N LEU A 72 -27.059 26.052 -17.854 1.00 3.14 N ATOM 1196 CA LEU A 72 -27.852 25.041 -18.543 1.00 54.13 C ATOM 1197 C LEU A 72 -28.628 24.183 -17.548 1.00 55.33 C ATOM 1198 O LEU A 72 -29.632 23.563 -17.899 1.00 65.01 O ATOM 1199 CB LEU A 72 -26.948 24.154 -19.402 1.00 53.13 C ATOM 1200 CG LEU A 72 -26.383 22.910 -18.717 1.00 20.11 C ATOM 1201 CD1 LEU A 72 -25.723 23.280 -17.398 1.00 3.14 C ATOM 1202 CD2 LEU A 72 -27.480 21.878 -18.496 1.00 12.40 C ATOM 0 H LEU A 72 -26.070 26.055 -18.103 1.00 3.14 H new ATOM 0 HA LEU A 72 -28.567 25.553 -19.187 1.00 54.13 H new ATOM 0 HB2 LEU A 72 -27.512 23.837 -20.280 1.00 53.13 H new ATOM 0 HB3 LEU A 72 -26.114 24.758 -19.760 1.00 53.13 H new ATOM 0 HG LEU A 72 -25.626 22.473 -19.368 1.00 20.11 H new ATOM 0 HD11 LEU A 72 -25.327 22.382 -16.925 1.00 3.14 H new ATOM 0 HD12 LEU A 72 -24.910 23.982 -17.582 1.00 3.14 H new ATOM 0 HD13 LEU A 72 -26.459 23.742 -16.740 1.00 3.14 H new ATOM 0 HD21 LEU A 72 -27.060 20.999 -18.007 1.00 12.40 H new ATOM 0 HD22 LEU A 72 -28.260 22.305 -17.866 1.00 12.40 H new ATOM 0 HD23 LEU A 72 -27.907 21.590 -19.456 1.00 12.40 H new ATOM 1214 N TYR A 73 -28.158 24.157 -16.307 1.00 42.41 N ATOM 1215 CA TYR A 73 -28.807 23.377 -15.261 1.00 22.41 C ATOM 1216 C TYR A 73 -30.047 24.093 -14.736 1.00 54.41 C ATOM 1217 O TYR A 73 -31.095 23.478 -14.529 1.00 24.12 O ATOM 1218 CB TYR A 73 -27.832 23.113 -14.112 1.00 2.45 C ATOM 1219 CG TYR A 73 -27.788 21.667 -13.675 1.00 25.23 C ATOM 1220 CD1 TYR A 73 -28.940 21.009 -13.260 1.00 41.25 C ATOM 1221 CD2 TYR A 73 -26.593 20.956 -13.676 1.00 52.31 C ATOM 1222 CE1 TYR A 73 -28.903 19.688 -12.859 1.00 60.42 C ATOM 1223 CE2 TYR A 73 -26.547 19.635 -13.279 1.00 22.02 C ATOM 1224 CZ TYR A 73 -27.705 19.004 -12.871 1.00 42.41 C ATOM 1225 OH TYR A 73 -27.664 17.688 -12.474 1.00 22.41 O ATOM 0 H TYR A 73 -27.330 24.667 -16.000 1.00 42.41 H new ATOM 0 HA TYR A 73 -29.115 22.425 -15.693 1.00 22.41 H new ATOM 0 HB2 TYR A 73 -26.832 23.422 -14.417 1.00 2.45 H new ATOM 0 HB3 TYR A 73 -28.111 23.733 -13.260 1.00 2.45 H new ATOM 0 HD1 TYR A 73 -29.880 21.540 -13.251 1.00 41.25 H new ATOM 0 HD2 TYR A 73 -25.684 21.446 -13.993 1.00 52.31 H new ATOM 0 HE1 TYR A 73 -29.807 19.193 -12.538 1.00 60.42 H new ATOM 0 HE2 TYR A 73 -25.610 19.098 -13.287 1.00 22.02 H new ATOM 0 HH TYR A 73 -26.745 17.354 -12.543 1.00 22.41 H new ATOM 1235 N LEU A 74 -29.922 25.399 -14.523 1.00 34.23 N ATOM 1236 CA LEU A 74 -31.033 26.203 -14.024 1.00 65.42 C ATOM 1237 C LEU A 74 -32.074 26.429 -15.113 1.00 74.03 C ATOM 1238 O LEU A 74 -33.276 26.297 -14.878 1.00 70.11 O ATOM 1239 CB LEU A 74 -30.521 27.547 -13.503 1.00 61.55 C ATOM 1240 CG LEU A 74 -29.583 27.487 -12.297 1.00 22.44 C ATOM 1241 CD1 LEU A 74 -28.143 27.299 -12.748 1.00 54.30 C ATOM 1242 CD2 LEU A 74 -29.720 28.745 -11.452 1.00 1.20 C ATOM 0 H LEU A 74 -29.063 25.923 -14.688 1.00 34.23 H new ATOM 0 HA LEU A 74 -31.505 25.659 -13.206 1.00 65.42 H new ATOM 0 HB2 LEU A 74 -30.003 28.055 -14.316 1.00 61.55 H new ATOM 0 HB3 LEU A 74 -31.381 28.163 -13.239 1.00 61.55 H new ATOM 0 HG LEU A 74 -29.864 26.630 -11.685 1.00 22.44 H new ATOM 0 HD11 LEU A 74 -27.491 27.259 -11.876 1.00 54.30 H new ATOM 0 HD12 LEU A 74 -28.056 26.369 -13.309 1.00 54.30 H new ATOM 0 HD13 LEU A 74 -27.849 28.135 -13.383 1.00 54.30 H new ATOM 0 HD21 LEU A 74 -29.045 28.685 -10.598 1.00 1.20 H new ATOM 0 HD22 LEU A 74 -29.466 29.617 -12.054 1.00 1.20 H new ATOM 0 HD23 LEU A 74 -30.747 28.835 -11.097 1.00 1.20 H new ATOM 1254 N LYS A 75 -31.607 26.771 -16.309 1.00 54.04 N ATOM 1255 CA LYS A 75 -32.497 27.013 -17.439 1.00 11.30 C ATOM 1256 C LYS A 75 -32.925 25.700 -18.086 1.00 25.41 C ATOM 1257 O LYS A 75 -33.930 25.644 -18.793 1.00 75.12 O ATOM 1258 CB LYS A 75 -31.808 27.904 -18.476 1.00 13.03 C ATOM 1259 CG LYS A 75 -31.468 29.290 -17.956 1.00 42.51 C ATOM 1260 CD LYS A 75 -32.717 30.057 -17.554 1.00 1.52 C ATOM 1261 CE LYS A 75 -33.649 30.264 -18.737 1.00 33.53 C ATOM 1262 NZ LYS A 75 -34.385 31.555 -18.645 1.00 3.24 N ATOM 0 H LYS A 75 -30.616 26.887 -16.521 1.00 54.04 H new ATOM 0 HA LYS A 75 -33.387 27.521 -17.066 1.00 11.30 H new ATOM 0 HB2 LYS A 75 -30.893 27.416 -18.811 1.00 13.03 H new ATOM 0 HB3 LYS A 75 -32.455 28.001 -19.348 1.00 13.03 H new ATOM 0 HG2 LYS A 75 -30.801 29.204 -17.098 1.00 42.51 H new ATOM 0 HG3 LYS A 75 -30.930 29.846 -18.724 1.00 42.51 H new ATOM 0 HD2 LYS A 75 -33.241 29.514 -16.767 1.00 1.52 H new ATOM 0 HD3 LYS A 75 -32.433 31.024 -17.139 1.00 1.52 H new ATOM 0 HE2 LYS A 75 -33.073 30.240 -19.662 1.00 33.53 H new ATOM 0 HE3 LYS A 75 -34.363 29.442 -18.785 1.00 33.53 H new ATOM 0 HZ1 LYS A 75 -35.010 31.658 -19.470 1.00 3.24 H new ATOM 0 HZ2 LYS A 75 -34.955 31.568 -17.775 1.00 3.24 H new ATOM 0 HZ3 LYS A 75 -33.705 32.342 -18.625 1.00 3.24 H new ATOM 1276 N GLY A 76 -32.155 24.645 -17.839 1.00 24.04 N ATOM 1277 CA GLY A 76 -32.472 23.346 -18.403 1.00 33.31 C ATOM 1278 C GLY A 76 -32.026 23.217 -19.846 1.00 23.00 C ATOM 1279 O GLY A 76 -32.453 22.307 -20.556 1.00 2.12 O ATOM 0 H GLY A 76 -31.317 24.667 -17.258 1.00 24.04 H new ATOM 0 HA2 GLY A 76 -31.994 22.568 -17.807 1.00 33.31 H new ATOM 0 HA3 GLY A 76 -33.547 23.179 -18.342 1.00 33.31 H new ATOM 1283 N ALA A 77 -31.164 24.131 -20.281 1.00 31.31 N ATOM 1284 CA ALA A 77 -30.660 24.114 -21.649 1.00 2.01 C ATOM 1285 C ALA A 77 -29.882 22.833 -21.931 1.00 61.23 C ATOM 1286 O ALA A 77 -29.620 22.040 -21.026 1.00 51.14 O ATOM 1287 CB ALA A 77 -29.783 25.332 -21.902 1.00 15.34 C ATOM 0 H ALA A 77 -30.801 24.891 -19.706 1.00 31.31 H new ATOM 0 HA ALA A 77 -31.514 24.146 -22.326 1.00 2.01 H new ATOM 0 HB1 ALA A 77 -29.413 25.307 -22.927 1.00 15.34 H new ATOM 0 HB2 ALA A 77 -30.367 26.239 -21.749 1.00 15.34 H new ATOM 0 HB3 ALA A 77 -28.940 25.323 -21.212 1.00 15.34 H new ATOM 1293 N THR A 78 -29.515 22.635 -23.193 1.00 55.12 N ATOM 1294 CA THR A 78 -28.769 21.450 -23.596 1.00 53.34 C ATOM 1295 C THR A 78 -27.396 21.823 -24.142 1.00 50.51 C ATOM 1296 O THR A 78 -27.051 23.003 -24.230 1.00 22.34 O ATOM 1297 CB THR A 78 -29.531 20.642 -24.664 1.00 10.33 C ATOM 1298 OG1 THR A 78 -29.737 21.445 -25.832 1.00 40.52 O ATOM 1299 CG2 THR A 78 -30.872 20.167 -24.128 1.00 24.23 C ATOM 0 H THR A 78 -29.723 23.281 -23.954 1.00 55.12 H new ATOM 0 HA THR A 78 -28.647 20.836 -22.704 1.00 53.34 H new ATOM 0 HB THR A 78 -28.931 19.770 -24.924 1.00 10.33 H new ATOM 0 HG1 THR A 78 -30.220 20.924 -26.506 1.00 40.52 H new ATOM 0 HG21 THR A 78 -31.392 19.599 -24.900 1.00 24.23 H new ATOM 0 HG22 THR A 78 -30.711 19.532 -23.256 1.00 24.23 H new ATOM 0 HG23 THR A 78 -31.476 21.029 -23.843 1.00 24.23 H new ATOM 1307 N VAL A 79 -26.614 20.812 -24.509 1.00 12.30 N ATOM 1308 CA VAL A 79 -25.279 21.036 -25.049 1.00 25.41 C ATOM 1309 C VAL A 79 -25.318 21.985 -26.241 1.00 54.20 C ATOM 1310 O VAL A 79 -24.390 22.764 -26.459 1.00 21.42 O ATOM 1311 CB VAL A 79 -24.620 19.712 -25.482 1.00 53.42 C ATOM 1312 CG1 VAL A 79 -23.186 19.950 -25.931 1.00 12.55 C ATOM 1313 CG2 VAL A 79 -24.672 18.696 -24.351 1.00 43.24 C ATOM 0 H VAL A 79 -26.883 19.830 -24.442 1.00 12.30 H new ATOM 0 HA VAL A 79 -24.687 21.485 -24.252 1.00 25.41 H new ATOM 0 HB VAL A 79 -25.177 19.309 -26.328 1.00 53.42 H new ATOM 0 HG11 VAL A 79 -22.737 19.004 -26.233 1.00 12.55 H new ATOM 0 HG12 VAL A 79 -23.179 20.640 -26.774 1.00 12.55 H new ATOM 0 HG13 VAL A 79 -22.613 20.377 -25.108 1.00 12.55 H new ATOM 0 HG21 VAL A 79 -24.202 17.767 -24.674 1.00 43.24 H new ATOM 0 HG22 VAL A 79 -24.140 19.089 -23.484 1.00 43.24 H new ATOM 0 HG23 VAL A 79 -25.711 18.503 -24.083 1.00 43.24 H new ATOM 1323 N TYR A 80 -26.400 21.916 -27.009 1.00 11.31 N ATOM 1324 CA TYR A 80 -26.561 22.769 -28.181 1.00 63.33 C ATOM 1325 C TYR A 80 -26.865 24.206 -27.771 1.00 44.01 C ATOM 1326 O TYR A 80 -26.593 25.146 -28.518 1.00 24.44 O ATOM 1327 CB TYR A 80 -27.680 22.235 -29.076 1.00 24.41 C ATOM 1328 CG TYR A 80 -27.772 22.934 -30.413 1.00 61.11 C ATOM 1329 CD1 TYR A 80 -26.970 22.547 -31.479 1.00 22.23 C ATOM 1330 CD2 TYR A 80 -28.662 23.983 -30.611 1.00 23.41 C ATOM 1331 CE1 TYR A 80 -27.050 23.184 -32.702 1.00 64.33 C ATOM 1332 CE2 TYR A 80 -28.750 24.624 -31.831 1.00 52.41 C ATOM 1333 CZ TYR A 80 -27.942 24.222 -32.873 1.00 24.10 C ATOM 1334 OH TYR A 80 -28.026 24.858 -34.091 1.00 25.23 O ATOM 0 H TYR A 80 -27.178 21.278 -26.841 1.00 11.31 H new ATOM 0 HA TYR A 80 -25.624 22.760 -28.737 1.00 63.33 H new ATOM 0 HB2 TYR A 80 -27.523 21.169 -29.243 1.00 24.41 H new ATOM 0 HB3 TYR A 80 -28.632 22.339 -28.555 1.00 24.41 H new ATOM 0 HD1 TYR A 80 -26.271 21.734 -31.349 1.00 22.23 H new ATOM 0 HD2 TYR A 80 -29.296 24.302 -29.797 1.00 23.41 H new ATOM 0 HE1 TYR A 80 -26.418 22.871 -33.520 1.00 64.33 H new ATOM 0 HE2 TYR A 80 -29.448 25.436 -31.968 1.00 52.41 H new ATOM 0 HH TYR A 80 -28.703 25.565 -34.045 1.00 25.23 H new ATOM 1344 N GLU A 81 -27.429 24.368 -26.578 1.00 1.11 N ATOM 1345 CA GLU A 81 -27.769 25.691 -26.069 1.00 22.05 C ATOM 1346 C GLU A 81 -26.527 26.413 -25.555 1.00 11.40 C ATOM 1347 O GLU A 81 -26.251 27.548 -25.944 1.00 52.24 O ATOM 1348 CB GLU A 81 -28.806 25.580 -24.949 1.00 74.41 C ATOM 1349 CG GLU A 81 -30.206 25.256 -25.446 1.00 64.01 C ATOM 1350 CD GLU A 81 -30.929 26.473 -25.987 1.00 40.45 C ATOM 1351 OE1 GLU A 81 -30.253 27.483 -26.277 1.00 15.11 O ATOM 1352 OE2 GLU A 81 -32.168 26.418 -26.121 1.00 35.52 O ATOM 0 H GLU A 81 -27.660 23.600 -25.947 1.00 1.11 H new ATOM 0 HA GLU A 81 -28.191 26.270 -26.891 1.00 22.05 H new ATOM 0 HB2 GLU A 81 -28.490 24.807 -24.248 1.00 74.41 H new ATOM 0 HB3 GLU A 81 -28.834 26.519 -24.397 1.00 74.41 H new ATOM 0 HG2 GLU A 81 -30.144 24.498 -26.227 1.00 64.01 H new ATOM 0 HG3 GLU A 81 -30.787 24.826 -24.630 1.00 64.01 H new ATOM 1359 N ILE A 82 -25.782 25.748 -24.680 1.00 25.52 N ATOM 1360 CA ILE A 82 -24.569 26.325 -24.113 1.00 62.51 C ATOM 1361 C ILE A 82 -23.621 26.796 -25.211 1.00 40.32 C ATOM 1362 O ILE A 82 -22.877 27.760 -25.030 1.00 72.22 O ATOM 1363 CB ILE A 82 -23.833 25.315 -23.213 1.00 44.10 C ATOM 1364 CG1 ILE A 82 -23.643 23.986 -23.948 1.00 53.11 C ATOM 1365 CG2 ILE A 82 -24.599 25.105 -21.916 1.00 44.21 C ATOM 1366 CD1 ILE A 82 -22.857 22.965 -23.157 1.00 10.14 C ATOM 0 H ILE A 82 -25.997 24.808 -24.347 1.00 25.52 H new ATOM 0 HA ILE A 82 -24.877 27.179 -23.510 1.00 62.51 H new ATOM 0 HB ILE A 82 -22.849 25.717 -22.970 1.00 44.10 H new ATOM 0 HG12 ILE A 82 -24.621 23.571 -24.190 1.00 53.11 H new ATOM 0 HG13 ILE A 82 -23.133 24.173 -24.893 1.00 53.11 H new ATOM 0 HG21 ILE A 82 -24.066 24.389 -21.291 1.00 44.21 H new ATOM 0 HG22 ILE A 82 -24.686 26.054 -21.387 1.00 44.21 H new ATOM 0 HG23 ILE A 82 -25.595 24.722 -22.139 1.00 44.21 H new ATOM 0 HD11 ILE A 82 -22.762 22.049 -23.739 1.00 10.14 H new ATOM 0 HD12 ILE A 82 -21.865 23.360 -22.937 1.00 10.14 H new ATOM 0 HD13 ILE A 82 -23.377 22.749 -22.224 1.00 10.14 H new ATOM 1378 N ALA A 83 -23.655 26.112 -26.349 1.00 54.35 N ATOM 1379 CA ALA A 83 -22.802 26.463 -27.477 1.00 55.44 C ATOM 1380 C ALA A 83 -23.114 27.867 -27.986 1.00 31.42 C ATOM 1381 O ALA A 83 -22.216 28.694 -28.145 1.00 20.04 O ATOM 1382 CB ALA A 83 -22.963 25.446 -28.598 1.00 65.04 C ATOM 0 H ALA A 83 -24.264 25.311 -26.514 1.00 54.35 H new ATOM 0 HA ALA A 83 -21.767 26.450 -27.135 1.00 55.44 H new ATOM 0 HB1 ALA A 83 -22.320 25.721 -29.434 1.00 65.04 H new ATOM 0 HB2 ALA A 83 -22.683 24.457 -28.235 1.00 65.04 H new ATOM 0 HB3 ALA A 83 -24.001 25.431 -28.929 1.00 65.04 H new ATOM 1388 N ARG A 84 -24.392 28.128 -28.241 1.00 24.24 N ATOM 1389 CA ARG A 84 -24.822 29.431 -28.734 1.00 12.14 C ATOM 1390 C ARG A 84 -24.760 30.478 -27.626 1.00 10.51 C ATOM 1391 O ARG A 84 -24.498 31.653 -27.884 1.00 12.31 O ATOM 1392 CB ARG A 84 -26.245 29.346 -29.289 1.00 34.21 C ATOM 1393 CG ARG A 84 -26.314 29.446 -30.805 1.00 31.13 C ATOM 1394 CD ARG A 84 -26.302 28.071 -31.455 1.00 23.32 C ATOM 1395 NE ARG A 84 -24.985 27.728 -31.986 1.00 43.21 N ATOM 1396 CZ ARG A 84 -24.492 28.233 -33.112 1.00 31.24 C ATOM 1397 NH1 ARG A 84 -25.203 29.099 -33.820 1.00 73.53 N ATOM 1398 NH2 ARG A 84 -23.286 27.872 -33.529 1.00 55.43 N ATOM 0 H ARG A 84 -25.148 27.455 -28.114 1.00 24.24 H new ATOM 0 HA ARG A 84 -24.144 29.731 -29.533 1.00 12.14 H new ATOM 0 HB2 ARG A 84 -26.693 28.403 -28.975 1.00 34.21 H new ATOM 0 HB3 ARG A 84 -26.845 30.145 -28.853 1.00 34.21 H new ATOM 0 HG2 ARG A 84 -27.220 29.979 -31.095 1.00 31.13 H new ATOM 0 HG3 ARG A 84 -25.470 30.030 -31.171 1.00 31.13 H new ATOM 0 HD2 ARG A 84 -26.604 27.322 -30.724 1.00 23.32 H new ATOM 0 HD3 ARG A 84 -27.036 28.044 -32.261 1.00 23.32 H new ATOM 0 HE ARG A 84 -24.413 27.065 -31.464 1.00 43.21 H new ATOM 0 HH11 ARG A 84 -26.130 29.379 -33.501 1.00 73.53 H new ATOM 0 HH12 ARG A 84 -24.823 29.485 -34.684 1.00 73.53 H new ATOM 0 HH21 ARG A 84 -22.736 27.206 -32.985 1.00 55.43 H new ATOM 0 HH22 ARG A 84 -22.908 28.260 -34.393 1.00 55.43 H new ATOM 1412 N GLN A 85 -25.001 30.044 -26.393 1.00 73.41 N ATOM 1413 CA GLN A 85 -24.973 30.945 -25.247 1.00 14.34 C ATOM 1414 C GLN A 85 -23.558 31.448 -24.984 1.00 51.45 C ATOM 1415 O GLN A 85 -23.313 32.655 -24.951 1.00 21.23 O ATOM 1416 CB GLN A 85 -25.516 30.239 -24.003 1.00 53.32 C ATOM 1417 CG GLN A 85 -25.676 31.158 -22.803 1.00 14.44 C ATOM 1418 CD GLN A 85 -26.400 32.445 -23.147 1.00 15.42 C ATOM 1419 OE1 GLN A 85 -25.774 33.465 -23.436 1.00 63.21 O ATOM 1420 NE2 GLN A 85 -27.727 32.404 -23.117 1.00 52.01 N ATOM 0 H GLN A 85 -25.218 29.074 -26.162 1.00 73.41 H new ATOM 0 HA GLN A 85 -25.607 31.802 -25.475 1.00 14.34 H new ATOM 0 HB2 GLN A 85 -26.482 29.794 -24.241 1.00 53.32 H new ATOM 0 HB3 GLN A 85 -24.845 29.422 -23.737 1.00 53.32 H new ATOM 0 HG2 GLN A 85 -26.225 30.635 -22.020 1.00 14.44 H new ATOM 0 HG3 GLN A 85 -24.692 31.396 -22.398 1.00 14.44 H new ATOM 0 HE21 GLN A 85 -28.205 31.537 -22.872 1.00 52.01 H new ATOM 0 HE22 GLN A 85 -28.268 33.240 -23.339 1.00 52.01 H new ATOM 1429 N LEU A 86 -22.630 30.517 -24.799 1.00 20.32 N ATOM 1430 CA LEU A 86 -21.237 30.865 -24.538 1.00 53.24 C ATOM 1431 C LEU A 86 -20.590 31.483 -25.774 1.00 0.14 C ATOM 1432 O LEU A 86 -19.554 32.141 -25.682 1.00 30.32 O ATOM 1433 CB LEU A 86 -20.453 29.626 -24.104 1.00 2.44 C ATOM 1434 CG LEU A 86 -20.491 29.297 -22.611 1.00 52.34 C ATOM 1435 CD1 LEU A 86 -19.933 30.452 -21.796 1.00 4.51 C ATOM 1436 CD2 LEU A 86 -21.911 28.970 -22.173 1.00 60.12 C ATOM 0 H LEU A 86 -22.816 29.514 -24.825 1.00 20.32 H new ATOM 0 HA LEU A 86 -21.217 31.600 -23.733 1.00 53.24 H new ATOM 0 HB2 LEU A 86 -20.836 28.767 -24.655 1.00 2.44 H new ATOM 0 HB3 LEU A 86 -19.412 29.757 -24.401 1.00 2.44 H new ATOM 0 HG LEU A 86 -19.867 28.421 -22.436 1.00 52.34 H new ATOM 0 HD11 LEU A 86 -19.968 30.200 -20.736 1.00 4.51 H new ATOM 0 HD12 LEU A 86 -18.900 30.640 -22.090 1.00 4.51 H new ATOM 0 HD13 LEU A 86 -20.530 31.346 -21.976 1.00 4.51 H new ATOM 0 HD21 LEU A 86 -21.919 28.738 -21.108 1.00 60.12 H new ATOM 0 HD22 LEU A 86 -22.557 29.827 -22.363 1.00 60.12 H new ATOM 0 HD23 LEU A 86 -22.276 28.110 -22.734 1.00 60.12 H new ATOM 1448 N GLY A 87 -21.211 31.269 -26.931 1.00 24.22 N ATOM 1449 CA GLY A 87 -20.683 31.812 -28.168 1.00 42.45 C ATOM 1450 C GLY A 87 -19.517 31.007 -28.705 1.00 22.31 C ATOM 1451 O GLY A 87 -18.570 31.564 -29.258 1.00 10.51 O ATOM 0 H GLY A 87 -22.070 30.729 -27.033 1.00 24.22 H new ATOM 0 HA2 GLY A 87 -21.475 31.840 -28.916 1.00 42.45 H new ATOM 0 HA3 GLY A 87 -20.364 32.841 -28.002 1.00 42.45 H new ATOM 1455 N ARG A 88 -19.585 29.689 -28.540 1.00 21.04 N ATOM 1456 CA ARG A 88 -18.525 28.805 -29.009 1.00 2.02 C ATOM 1457 C ARG A 88 -19.103 27.644 -29.813 1.00 62.11 C ATOM 1458 O ARG A 88 -20.250 27.238 -29.628 1.00 23.10 O ATOM 1459 CB ARG A 88 -17.717 28.268 -27.826 1.00 33.15 C ATOM 1460 CG ARG A 88 -17.181 29.357 -26.911 1.00 63.24 C ATOM 1461 CD ARG A 88 -16.190 30.255 -27.637 1.00 13.34 C ATOM 1462 NE ARG A 88 -16.472 31.671 -27.415 1.00 42.13 N ATOM 1463 CZ ARG A 88 -15.633 32.647 -27.743 1.00 45.25 C ATOM 1464 NH1 ARG A 88 -14.466 32.362 -28.306 1.00 35.30 N ATOM 1465 NH2 ARG A 88 -15.959 33.912 -27.509 1.00 54.14 N ATOM 0 H ARG A 88 -20.363 29.211 -28.085 1.00 21.04 H new ATOM 0 HA ARG A 88 -17.866 29.382 -29.657 1.00 2.02 H new ATOM 0 HB2 ARG A 88 -18.345 27.593 -27.244 1.00 33.15 H new ATOM 0 HB3 ARG A 88 -16.881 27.679 -28.205 1.00 33.15 H new ATOM 0 HG2 ARG A 88 -18.009 29.957 -26.533 1.00 63.24 H new ATOM 0 HG3 ARG A 88 -16.697 28.902 -26.047 1.00 63.24 H new ATOM 0 HD2 ARG A 88 -15.179 30.029 -27.297 1.00 13.34 H new ATOM 0 HD3 ARG A 88 -16.222 30.042 -28.705 1.00 13.34 H new ATOM 0 HE ARG A 88 -17.362 31.924 -26.985 1.00 42.13 H new ATOM 0 HH11 ARG A 88 -14.211 31.391 -28.488 1.00 35.30 H new ATOM 0 HH12 ARG A 88 -13.824 33.114 -28.557 1.00 35.30 H new ATOM 0 HH21 ARG A 88 -16.855 34.136 -27.077 1.00 54.14 H new ATOM 0 HH22 ARG A 88 -15.313 34.660 -27.762 1.00 54.14 H new ATOM 1479 N PRO A 89 -18.290 27.096 -30.729 1.00 30.11 N ATOM 1480 CA PRO A 89 -18.699 25.974 -31.579 1.00 45.14 C ATOM 1481 C PRO A 89 -18.850 24.676 -30.793 1.00 64.40 C ATOM 1482 O PRO A 89 -18.371 24.564 -29.665 1.00 32.22 O ATOM 1483 CB PRO A 89 -17.552 25.857 -32.588 1.00 13.33 C ATOM 1484 CG PRO A 89 -16.372 26.438 -31.888 1.00 41.11 C ATOM 1485 CD PRO A 89 -16.909 27.529 -31.003 1.00 61.33 C ATOM 0 HA PRO A 89 -19.673 26.144 -32.037 1.00 45.14 H new ATOM 0 HB2 PRO A 89 -17.375 24.818 -32.868 1.00 13.33 H new ATOM 0 HB3 PRO A 89 -17.775 26.401 -33.506 1.00 13.33 H new ATOM 0 HG2 PRO A 89 -15.854 25.679 -31.301 1.00 41.11 H new ATOM 0 HG3 PRO A 89 -15.651 26.835 -32.603 1.00 41.11 H new ATOM 0 HD2 PRO A 89 -16.328 27.625 -30.086 1.00 61.33 H new ATOM 0 HD3 PRO A 89 -16.883 28.499 -31.500 1.00 61.33 H new ATOM 1493 N GLU A 90 -19.517 23.698 -31.398 1.00 60.14 N ATOM 1494 CA GLU A 90 -19.731 22.407 -30.753 1.00 44.32 C ATOM 1495 C GLU A 90 -18.403 21.780 -30.337 1.00 53.31 C ATOM 1496 O GLU A 90 -18.349 20.974 -29.409 1.00 63.40 O ATOM 1497 CB GLU A 90 -20.482 21.461 -31.691 1.00 13.30 C ATOM 1498 CG GLU A 90 -21.855 21.059 -31.178 1.00 2.12 C ATOM 1499 CD GLU A 90 -22.951 21.291 -32.200 1.00 14.03 C ATOM 1500 OE1 GLU A 90 -23.181 22.463 -32.565 1.00 12.13 O ATOM 1501 OE2 GLU A 90 -23.578 20.302 -32.633 1.00 55.23 O ATOM 0 H GLU A 90 -19.918 23.775 -32.333 1.00 60.14 H new ATOM 0 HA GLU A 90 -20.332 22.572 -29.858 1.00 44.32 H new ATOM 0 HB2 GLU A 90 -20.593 21.940 -32.664 1.00 13.30 H new ATOM 0 HB3 GLU A 90 -19.883 20.563 -31.844 1.00 13.30 H new ATOM 0 HG2 GLU A 90 -21.840 20.005 -30.899 1.00 2.12 H new ATOM 0 HG3 GLU A 90 -22.081 21.625 -30.274 1.00 2.12 H new ATOM 1508 N SER A 91 -17.334 22.156 -31.032 1.00 62.12 N ATOM 1509 CA SER A 91 -16.007 21.628 -30.739 1.00 64.24 C ATOM 1510 C SER A 91 -15.500 22.146 -29.397 1.00 20.33 C ATOM 1511 O SER A 91 -15.097 21.370 -28.530 1.00 20.32 O ATOM 1512 CB SER A 91 -15.026 22.011 -31.850 1.00 30.34 C ATOM 1513 OG SER A 91 -13.929 21.115 -31.892 1.00 74.10 O ATOM 0 H SER A 91 -17.361 22.824 -31.802 1.00 62.12 H new ATOM 0 HA SER A 91 -16.079 20.542 -30.686 1.00 64.24 H new ATOM 0 HB2 SER A 91 -15.540 22.007 -32.811 1.00 30.34 H new ATOM 0 HB3 SER A 91 -14.665 23.026 -31.686 1.00 30.34 H new ATOM 0 HG SER A 91 -13.318 21.380 -32.611 1.00 74.10 H new ATOM 1519 N THR A 92 -15.524 23.464 -29.231 1.00 0.44 N ATOM 1520 CA THR A 92 -15.066 24.088 -27.996 1.00 34.43 C ATOM 1521 C THR A 92 -15.755 23.473 -26.782 1.00 51.14 C ATOM 1522 O THR A 92 -15.097 23.069 -25.823 1.00 21.22 O ATOM 1523 CB THR A 92 -15.325 25.606 -28.003 1.00 35.22 C ATOM 1524 OG1 THR A 92 -14.755 26.195 -29.178 1.00 35.40 O ATOM 1525 CG2 THR A 92 -14.735 26.262 -26.765 1.00 4.24 C ATOM 0 H THR A 92 -15.856 24.121 -29.937 1.00 0.44 H new ATOM 0 HA THR A 92 -13.992 23.911 -27.932 1.00 34.43 H new ATOM 0 HB THR A 92 -16.403 25.768 -28.002 1.00 35.22 H new ATOM 0 HG1 THR A 92 -14.489 27.118 -28.985 1.00 35.40 H new ATOM 0 HG21 THR A 92 -14.931 27.334 -26.793 1.00 4.24 H new ATOM 0 HG22 THR A 92 -15.192 25.833 -25.873 1.00 4.24 H new ATOM 0 HG23 THR A 92 -13.659 26.090 -26.740 1.00 4.24 H new ATOM 1533 N ILE A 93 -17.081 23.405 -26.831 1.00 45.03 N ATOM 1534 CA ILE A 93 -17.857 22.837 -25.736 1.00 31.02 C ATOM 1535 C ILE A 93 -17.474 21.382 -25.486 1.00 52.24 C ATOM 1536 O ILE A 93 -17.239 20.978 -24.347 1.00 34.10 O ATOM 1537 CB ILE A 93 -19.369 22.918 -26.017 1.00 23.31 C ATOM 1538 CG1 ILE A 93 -19.801 24.375 -26.187 1.00 34.11 C ATOM 1539 CG2 ILE A 93 -20.152 22.254 -24.893 1.00 5.32 C ATOM 1540 CD1 ILE A 93 -19.675 25.195 -24.922 1.00 71.04 C ATOM 0 H ILE A 93 -17.640 23.736 -27.617 1.00 45.03 H new ATOM 0 HA ILE A 93 -17.628 23.427 -24.848 1.00 31.02 H new ATOM 0 HB ILE A 93 -19.581 22.386 -26.945 1.00 23.31 H new ATOM 0 HG12 ILE A 93 -19.198 24.835 -26.970 1.00 34.11 H new ATOM 0 HG13 ILE A 93 -20.837 24.401 -26.525 1.00 34.11 H new ATOM 0 HG21 ILE A 93 -21.219 22.319 -25.105 1.00 5.32 H new ATOM 0 HG22 ILE A 93 -19.860 21.207 -24.816 1.00 5.32 H new ATOM 0 HG23 ILE A 93 -19.938 22.760 -23.952 1.00 5.32 H new ATOM 0 HD11 ILE A 93 -19.999 26.217 -25.117 1.00 71.04 H new ATOM 0 HD12 ILE A 93 -20.300 24.759 -24.142 1.00 71.04 H new ATOM 0 HD13 ILE A 93 -18.636 25.200 -24.594 1.00 71.04 H new ATOM 1552 N TYR A 94 -17.409 20.602 -26.559 1.00 10.04 N ATOM 1553 CA TYR A 94 -17.054 19.191 -26.457 1.00 74.21 C ATOM 1554 C TYR A 94 -15.670 19.021 -25.838 1.00 32.13 C ATOM 1555 O TYR A 94 -15.450 18.127 -25.021 1.00 4.21 O ATOM 1556 CB TYR A 94 -17.092 18.533 -27.838 1.00 61.01 C ATOM 1557 CG TYR A 94 -18.426 17.906 -28.173 1.00 61.23 C ATOM 1558 CD1 TYR A 94 -19.595 18.658 -28.155 1.00 63.43 C ATOM 1559 CD2 TYR A 94 -18.518 16.560 -28.509 1.00 41.02 C ATOM 1560 CE1 TYR A 94 -20.816 18.087 -28.459 1.00 42.43 C ATOM 1561 CE2 TYR A 94 -19.734 15.982 -28.816 1.00 32.11 C ATOM 1562 CZ TYR A 94 -20.880 16.750 -28.790 1.00 70.11 C ATOM 1563 OH TYR A 94 -22.094 16.179 -29.095 1.00 55.31 O ATOM 0 H TYR A 94 -17.597 20.922 -27.509 1.00 10.04 H new ATOM 0 HA TYR A 94 -17.784 18.704 -25.810 1.00 74.21 H new ATOM 0 HB2 TYR A 94 -16.851 19.280 -28.594 1.00 61.01 H new ATOM 0 HB3 TYR A 94 -16.317 17.768 -27.888 1.00 61.01 H new ATOM 0 HD1 TYR A 94 -19.548 19.706 -27.899 1.00 63.43 H new ATOM 0 HD2 TYR A 94 -17.623 15.956 -28.530 1.00 41.02 H new ATOM 0 HE1 TYR A 94 -21.715 18.685 -28.437 1.00 42.43 H new ATOM 0 HE2 TYR A 94 -19.788 14.935 -29.075 1.00 32.11 H new ATOM 0 HH TYR A 94 -21.966 15.231 -29.307 1.00 55.31 H new