USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 649 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 50 CYS SG : rot 38:sc= -0.022 USER MOD Set 1.2: A 57 MET CE :methyl 141:sc= -0.344 (180deg=-2.66) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0.461 K(o=0.46,f=-5.5!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.13! C(o=-1.1!,f=-9.3!) USER MOD Single : A 23 ASN :FLIP amide:sc=-0.00096 F(o=-1,f=-0.00096) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 42:sc= 0.0341 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 37 MET CE :methyl 172:sc= 0 (180deg=-0.073) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0316 (180deg=-0.226) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 1.31 (180deg=1.18) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 56 SER OG : rot 118:sc= 1.28 USER MOD Single : A 62 TYR OH : rot 46:sc= 1.26 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 14:sc= 0.794 USER MOD Single : A 76 SER OG : rot 84:sc= 1.23 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=0) USER MOD ----------------------------------------------------------------- ATOM 183 N ASP A 13 2.258 -14.236 -7.136 1.00 1.24 N ATOM 184 CA ASP A 13 1.616 -13.782 -5.911 1.00 31.40 C ATOM 185 C ASP A 13 1.644 -12.269 -5.864 1.00 44.52 C ATOM 186 O ASP A 13 2.638 -11.646 -6.237 1.00 55.31 O ATOM 187 CB ASP A 13 2.303 -14.355 -4.668 1.00 23.34 C ATOM 188 CG ASP A 13 2.070 -15.841 -4.496 1.00 13.31 C ATOM 189 OD1 ASP A 13 0.894 -16.263 -4.442 1.00 22.32 O ATOM 190 OD2 ASP A 13 3.063 -16.601 -4.412 1.00 12.42 O ATOM 0 HA ASP A 13 0.586 -14.137 -5.912 1.00 31.40 H new ATOM 0 HB2 ASP A 13 3.375 -14.166 -4.732 1.00 23.34 H new ATOM 0 HB3 ASP A 13 1.939 -13.831 -3.784 1.00 23.34 H new ATOM 195 N SER A 14 0.549 -11.670 -5.439 1.00 50.23 N ATOM 196 CA SER A 14 0.456 -10.224 -5.398 1.00 43.53 C ATOM 197 C SER A 14 -0.278 -9.770 -4.148 1.00 75.40 C ATOM 198 O SER A 14 -1.252 -10.396 -3.728 1.00 42.44 O ATOM 199 CB SER A 14 -0.273 -9.711 -6.641 1.00 63.23 C ATOM 200 OG SER A 14 0.288 -10.260 -7.825 1.00 13.24 O ATOM 0 H SER A 14 -0.286 -12.160 -5.118 1.00 50.23 H new ATOM 0 HA SER A 14 1.466 -9.814 -5.378 1.00 43.53 H new ATOM 0 HB2 SER A 14 -1.330 -9.972 -6.580 1.00 63.23 H new ATOM 0 HB3 SER A 14 -0.215 -8.623 -6.678 1.00 63.23 H new ATOM 0 HG SER A 14 -0.196 -9.918 -8.605 1.00 13.24 H new ATOM 206 N VAL A 15 0.205 -8.697 -3.545 1.00 63.02 N ATOM 207 CA VAL A 15 -0.490 -8.083 -2.429 1.00 13.53 C ATOM 208 C VAL A 15 -1.408 -6.981 -2.948 1.00 42.41 C ATOM 209 O VAL A 15 -0.956 -5.983 -3.516 1.00 4.22 O ATOM 210 CB VAL A 15 0.487 -7.529 -1.360 1.00 62.55 C ATOM 211 CG1 VAL A 15 1.200 -8.677 -0.656 1.00 61.54 C ATOM 212 CG2 VAL A 15 1.502 -6.571 -1.971 1.00 4.51 C ATOM 0 H VAL A 15 1.075 -8.234 -3.810 1.00 63.02 H new ATOM 0 HA VAL A 15 -1.085 -8.853 -1.937 1.00 13.53 H new ATOM 0 HB VAL A 15 -0.098 -6.969 -0.630 1.00 62.55 H new ATOM 0 HG11 VAL A 15 1.884 -8.276 0.093 1.00 61.54 H new ATOM 0 HG12 VAL A 15 0.465 -9.318 -0.170 1.00 61.54 H new ATOM 0 HG13 VAL A 15 1.762 -9.259 -1.386 1.00 61.54 H new ATOM 0 HG21 VAL A 15 2.170 -6.203 -1.192 1.00 4.51 H new ATOM 0 HG22 VAL A 15 2.084 -7.093 -2.731 1.00 4.51 H new ATOM 0 HG23 VAL A 15 0.980 -5.730 -2.428 1.00 4.51 H new ATOM 222 N HIS A 16 -2.704 -7.194 -2.798 1.00 42.25 N ATOM 223 CA HIS A 16 -3.690 -6.261 -3.315 1.00 54.45 C ATOM 224 C HIS A 16 -3.921 -5.135 -2.313 1.00 5.44 C ATOM 225 O HIS A 16 -4.765 -5.241 -1.422 1.00 23.44 O ATOM 226 CB HIS A 16 -4.994 -7.002 -3.620 1.00 55.23 C ATOM 227 CG HIS A 16 -5.926 -6.266 -4.536 1.00 32.13 C ATOM 228 ND1 HIS A 16 -7.265 -6.111 -4.269 1.00 25.10 N ATOM 229 CD2 HIS A 16 -5.714 -5.679 -5.739 1.00 54.53 C ATOM 230 CE1 HIS A 16 -7.840 -5.465 -5.265 1.00 51.14 C ATOM 231 NE2 HIS A 16 -6.922 -5.189 -6.172 1.00 45.32 N ATOM 0 H HIS A 16 -3.098 -8.005 -2.322 1.00 42.25 H new ATOM 0 HA HIS A 16 -3.321 -5.820 -4.241 1.00 54.45 H new ATOM 0 HB2 HIS A 16 -4.753 -7.967 -4.066 1.00 55.23 H new ATOM 0 HB3 HIS A 16 -5.511 -7.204 -2.682 1.00 55.23 H new ATOM 0 HD2 HIS A 16 -4.771 -5.609 -6.260 1.00 54.53 H new ATOM 0 HE1 HIS A 16 -8.886 -5.205 -5.328 1.00 51.14 H new ATOM 0 HE2 HIS A 16 -7.083 -4.694 -7.049 1.00 45.32 H new ATOM 240 N LEU A 17 -3.143 -4.072 -2.454 1.00 25.14 N ATOM 241 CA LEU A 17 -3.201 -2.943 -1.538 1.00 33.11 C ATOM 242 C LEU A 17 -4.367 -2.033 -1.891 1.00 32.44 C ATOM 243 O LEU A 17 -4.502 -1.601 -3.036 1.00 20.24 O ATOM 244 CB LEU A 17 -1.896 -2.144 -1.593 1.00 75.32 C ATOM 245 CG LEU A 17 -0.620 -2.942 -1.310 1.00 33.41 C ATOM 246 CD1 LEU A 17 0.605 -2.050 -1.427 1.00 4.30 C ATOM 247 CD2 LEU A 17 -0.680 -3.579 0.067 1.00 53.52 C ATOM 0 H LEU A 17 -2.458 -3.968 -3.202 1.00 25.14 H new ATOM 0 HA LEU A 17 -3.342 -3.330 -0.529 1.00 33.11 H new ATOM 0 HB2 LEU A 17 -1.809 -1.692 -2.581 1.00 75.32 H new ATOM 0 HB3 LEU A 17 -1.960 -1.328 -0.873 1.00 75.32 H new ATOM 0 HG LEU A 17 -0.543 -3.735 -2.053 1.00 33.41 H new ATOM 0 HD11 LEU A 17 1.502 -2.635 -1.222 1.00 4.30 H new ATOM 0 HD12 LEU A 17 0.661 -1.640 -2.435 1.00 4.30 H new ATOM 0 HD13 LEU A 17 0.532 -1.235 -0.707 1.00 4.30 H new ATOM 0 HD21 LEU A 17 0.236 -4.141 0.248 1.00 53.52 H new ATOM 0 HD22 LEU A 17 -0.784 -2.801 0.823 1.00 53.52 H new ATOM 0 HD23 LEU A 17 -1.535 -4.253 0.119 1.00 53.52 H new ATOM 259 N HIS A 18 -5.215 -1.750 -0.916 1.00 20.52 N ATOM 260 CA HIS A 18 -6.319 -0.830 -1.123 1.00 5.21 C ATOM 261 C HIS A 18 -5.976 0.551 -0.589 1.00 15.40 C ATOM 262 O HIS A 18 -6.017 0.789 0.622 1.00 24.04 O ATOM 263 CB HIS A 18 -7.600 -1.343 -0.463 1.00 72.24 C ATOM 264 CG HIS A 18 -8.441 -2.187 -1.369 1.00 14.04 C ATOM 265 ND1 HIS A 18 -9.364 -1.654 -2.242 1.00 41.12 N ATOM 266 CD2 HIS A 18 -8.499 -3.529 -1.539 1.00 73.21 C ATOM 267 CE1 HIS A 18 -9.952 -2.631 -2.907 1.00 14.24 C ATOM 268 NE2 HIS A 18 -9.446 -3.780 -2.501 1.00 43.22 N ATOM 0 H HIS A 18 -5.160 -2.143 0.024 1.00 20.52 H new ATOM 0 HA HIS A 18 -6.491 -0.760 -2.197 1.00 5.21 H new ATOM 0 HB2 HIS A 18 -7.337 -1.924 0.421 1.00 72.24 H new ATOM 0 HB3 HIS A 18 -8.189 -0.492 -0.121 1.00 72.24 H new ATOM 0 HD2 HIS A 18 -7.909 -4.266 -1.015 1.00 73.21 H new ATOM 0 HE1 HIS A 18 -10.719 -2.510 -3.658 1.00 14.24 H new ATOM 0 HE2 HIS A 18 -9.714 -4.702 -2.845 1.00 43.22 H new ATOM 277 N ILE A 19 -5.618 1.446 -1.491 1.00 55.41 N ATOM 278 CA ILE A 19 -5.305 2.813 -1.125 1.00 53.21 C ATOM 279 C ILE A 19 -6.586 3.578 -0.820 1.00 63.44 C ATOM 280 O ILE A 19 -7.490 3.661 -1.654 1.00 64.53 O ATOM 281 CB ILE A 19 -4.524 3.533 -2.248 1.00 3.02 C ATOM 282 CG1 ILE A 19 -3.201 2.805 -2.524 1.00 71.00 C ATOM 283 CG2 ILE A 19 -4.270 4.989 -1.878 1.00 64.05 C ATOM 284 CD1 ILE A 19 -2.397 3.403 -3.658 1.00 0.45 C ATOM 0 H ILE A 19 -5.537 1.248 -2.488 1.00 55.41 H new ATOM 0 HA ILE A 19 -4.675 2.785 -0.236 1.00 53.21 H new ATOM 0 HB ILE A 19 -5.126 3.515 -3.156 1.00 3.02 H new ATOM 0 HG12 ILE A 19 -2.596 2.816 -1.618 1.00 71.00 H new ATOM 0 HG13 ILE A 19 -3.413 1.761 -2.753 1.00 71.00 H new ATOM 0 HG21 ILE A 19 -3.719 5.478 -2.682 1.00 64.05 H new ATOM 0 HG22 ILE A 19 -5.222 5.498 -1.729 1.00 64.05 H new ATOM 0 HG23 ILE A 19 -3.687 5.034 -0.958 1.00 64.05 H new ATOM 0 HD11 ILE A 19 -1.477 2.834 -3.791 1.00 0.45 H new ATOM 0 HD12 ILE A 19 -2.982 3.368 -4.577 1.00 0.45 H new ATOM 0 HD13 ILE A 19 -2.152 4.439 -3.424 1.00 0.45 H new ATOM 296 N THR A 20 -6.672 4.096 0.393 1.00 73.52 N ATOM 297 CA THR A 20 -7.815 4.880 0.816 1.00 13.13 C ATOM 298 C THR A 20 -7.357 6.276 1.232 1.00 72.43 C ATOM 299 O THR A 20 -6.724 6.449 2.277 1.00 25.41 O ATOM 300 CB THR A 20 -8.540 4.188 1.987 1.00 44.54 C ATOM 301 OG1 THR A 20 -8.679 2.787 1.704 1.00 25.14 O ATOM 302 CG2 THR A 20 -9.912 4.801 2.217 1.00 34.33 C ATOM 0 H THR A 20 -5.954 3.985 1.108 1.00 73.52 H new ATOM 0 HA THR A 20 -8.512 4.965 -0.018 1.00 13.13 H new ATOM 0 HB THR A 20 -7.947 4.326 2.891 1.00 44.54 H new ATOM 0 HG1 THR A 20 -9.138 2.347 2.449 1.00 25.14 H new ATOM 0 HG21 THR A 20 -10.402 4.295 3.049 1.00 34.33 H new ATOM 0 HG22 THR A 20 -9.803 5.860 2.451 1.00 34.33 H new ATOM 0 HG23 THR A 20 -10.516 4.689 1.317 1.00 34.33 H new ATOM 310 N HIS A 21 -7.648 7.261 0.397 1.00 40.33 N ATOM 311 CA HIS A 21 -7.184 8.623 0.627 1.00 52.10 C ATOM 312 C HIS A 21 -8.194 9.387 1.488 1.00 4.43 C ATOM 313 O HIS A 21 -9.399 9.239 1.312 1.00 41.03 O ATOM 314 CB HIS A 21 -6.975 9.321 -0.722 1.00 52.03 C ATOM 315 CG HIS A 21 -6.029 10.485 -0.689 1.00 71.22 C ATOM 316 ND1 HIS A 21 -6.129 11.558 -1.546 1.00 71.42 N ATOM 317 CD2 HIS A 21 -4.938 10.723 0.076 1.00 12.25 C ATOM 318 CE1 HIS A 21 -5.141 12.402 -1.311 1.00 13.35 C ATOM 319 NE2 HIS A 21 -4.404 11.921 -0.330 1.00 2.34 N ATOM 0 H HIS A 21 -8.205 7.144 -0.449 1.00 40.33 H new ATOM 0 HA HIS A 21 -6.235 8.601 1.163 1.00 52.10 H new ATOM 0 HB2 HIS A 21 -6.604 8.590 -1.440 1.00 52.03 H new ATOM 0 HB3 HIS A 21 -7.941 9.667 -1.090 1.00 52.03 H new ATOM 0 HD2 HIS A 21 -4.557 10.087 0.862 1.00 12.25 H new ATOM 0 HE1 HIS A 21 -4.966 13.330 -1.835 1.00 13.35 H new ATOM 0 HE2 HIS A 21 -3.574 12.365 0.063 1.00 2.34 H new ATOM 328 N ALA A 22 -7.696 10.181 2.436 1.00 32.52 N ATOM 329 CA ALA A 22 -8.562 10.902 3.369 1.00 12.32 C ATOM 330 C ALA A 22 -9.277 12.083 2.705 1.00 72.23 C ATOM 331 O ALA A 22 -10.487 12.034 2.494 1.00 24.11 O ATOM 332 CB ALA A 22 -7.768 11.376 4.575 1.00 64.23 C ATOM 0 H ALA A 22 -6.699 10.341 2.578 1.00 32.52 H new ATOM 0 HA ALA A 22 -9.330 10.202 3.698 1.00 12.32 H new ATOM 0 HB1 ALA A 22 -8.428 11.910 5.258 1.00 64.23 H new ATOM 0 HB2 ALA A 22 -7.335 10.516 5.087 1.00 64.23 H new ATOM 0 HB3 ALA A 22 -6.970 12.042 4.246 1.00 64.23 H new ATOM 338 N ASN A 23 -8.526 13.140 2.384 1.00 44.13 N ATOM 339 CA ASN A 23 -9.112 14.351 1.801 1.00 22.13 C ATOM 340 C ASN A 23 -9.903 14.016 0.539 1.00 10.11 C ATOM 341 O ASN A 23 -11.046 14.439 0.383 1.00 53.00 O ATOM 342 CB ASN A 23 -8.021 15.375 1.483 1.00 34.41 C ATOM 343 CG ASN A 23 -8.578 16.730 1.067 1.00 62.54 C ATOM 344 OD1 ASN A 23 -9.701 17.128 1.649 1.00 32.41 O flip ATOM 345 ND2 ASN A 23 -7.988 17.423 0.239 1.00 24.22 N flip ATOM 0 H ASN A 23 -7.516 13.182 2.517 1.00 44.13 H new ATOM 0 HA ASN A 23 -9.795 14.783 2.533 1.00 22.13 H new ATOM 0 HB2 ASN A 23 -7.385 15.503 2.359 1.00 34.41 H new ATOM 0 HB3 ASN A 23 -7.389 14.988 0.684 1.00 34.41 H new ATOM 0 HD21 ASN A 23 -7.126 17.084 -0.188 1.00 24.22 H new ATOM 0 HD22 ASN A 23 -8.361 18.336 -0.020 1.00 24.22 H new ATOM 352 N LEU A 24 -9.288 13.249 -0.354 1.00 11.14 N ATOM 353 CA LEU A 24 -9.988 12.740 -1.525 1.00 53.32 C ATOM 354 C LEU A 24 -10.613 11.391 -1.198 1.00 51.52 C ATOM 355 O LEU A 24 -9.966 10.353 -1.323 1.00 44.42 O ATOM 356 CB LEU A 24 -9.044 12.601 -2.722 1.00 10.21 C ATOM 357 CG LEU A 24 -8.450 13.911 -3.241 1.00 31.12 C ATOM 358 CD1 LEU A 24 -7.469 13.643 -4.374 1.00 71.35 C ATOM 359 CD2 LEU A 24 -9.553 14.849 -3.706 1.00 64.22 C ATOM 0 H LEU A 24 -8.310 12.967 -0.289 1.00 11.14 H new ATOM 0 HA LEU A 24 -10.768 13.452 -1.794 1.00 53.32 H new ATOM 0 HB2 LEU A 24 -8.227 11.936 -2.444 1.00 10.21 H new ATOM 0 HB3 LEU A 24 -9.585 12.119 -3.536 1.00 10.21 H new ATOM 0 HG LEU A 24 -7.910 14.389 -2.424 1.00 31.12 H new ATOM 0 HD11 LEU A 24 -7.057 14.587 -4.730 1.00 71.35 H new ATOM 0 HD12 LEU A 24 -6.660 13.008 -4.013 1.00 71.35 H new ATOM 0 HD13 LEU A 24 -7.986 13.142 -5.192 1.00 71.35 H new ATOM 0 HD21 LEU A 24 -9.112 15.776 -4.072 1.00 64.22 H new ATOM 0 HD22 LEU A 24 -10.119 14.375 -4.508 1.00 64.22 H new ATOM 0 HD23 LEU A 24 -10.219 15.069 -2.872 1.00 64.22 H new ATOM 371 N LYS A 25 -11.866 11.422 -0.767 1.00 31.44 N ATOM 372 CA LYS A 25 -12.567 10.226 -0.310 1.00 1.55 C ATOM 373 C LYS A 25 -12.885 9.287 -1.470 1.00 33.45 C ATOM 374 O LYS A 25 -12.882 8.066 -1.315 1.00 4.55 O ATOM 375 CB LYS A 25 -13.848 10.638 0.423 1.00 45.50 C ATOM 376 CG LYS A 25 -14.770 9.488 0.789 1.00 2.43 C ATOM 377 CD LYS A 25 -15.937 9.978 1.630 1.00 54.24 C ATOM 378 CE LYS A 25 -16.685 11.118 0.952 1.00 10.22 C ATOM 379 NZ LYS A 25 -17.648 11.767 1.878 1.00 24.32 N ATOM 0 H LYS A 25 -12.426 12.274 -0.723 1.00 31.44 H new ATOM 0 HA LYS A 25 -11.917 9.681 0.375 1.00 1.55 H new ATOM 0 HB2 LYS A 25 -13.574 11.169 1.334 1.00 45.50 H new ATOM 0 HB3 LYS A 25 -14.398 11.341 -0.203 1.00 45.50 H new ATOM 0 HG2 LYS A 25 -15.144 9.013 -0.118 1.00 2.43 H new ATOM 0 HG3 LYS A 25 -14.212 8.730 1.339 1.00 2.43 H new ATOM 0 HD2 LYS A 25 -16.624 9.152 1.815 1.00 54.24 H new ATOM 0 HD3 LYS A 25 -15.570 10.311 2.601 1.00 54.24 H new ATOM 0 HE2 LYS A 25 -15.971 11.858 0.591 1.00 10.22 H new ATOM 0 HE3 LYS A 25 -17.218 10.737 0.081 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 -18.139 12.538 1.383 1.00 24.32 H new ATOM 0 HZ2 LYS A 25 -18.344 11.066 2.203 1.00 24.32 H new ATOM 0 HZ3 LYS A 25 -17.136 12.152 2.697 1.00 24.32 H new ATOM 393 N SER A 26 -13.136 9.859 -2.633 1.00 15.22 N ATOM 394 CA SER A 26 -13.481 9.072 -3.806 1.00 64.41 C ATOM 395 C SER A 26 -12.231 8.662 -4.588 1.00 62.03 C ATOM 396 O SER A 26 -12.314 8.290 -5.763 1.00 23.03 O ATOM 397 CB SER A 26 -14.430 9.875 -4.696 1.00 72.31 C ATOM 398 OG SER A 26 -15.579 10.286 -3.971 1.00 41.22 O ATOM 0 H SER A 26 -13.108 10.866 -2.792 1.00 15.22 H new ATOM 0 HA SER A 26 -13.977 8.158 -3.478 1.00 64.41 H new ATOM 0 HB2 SER A 26 -13.912 10.749 -5.091 1.00 72.31 H new ATOM 0 HB3 SER A 26 -14.732 9.270 -5.551 1.00 72.31 H new ATOM 0 HG SER A 26 -16.171 10.799 -4.560 1.00 41.22 H new ATOM 404 N PHE A 27 -11.078 8.715 -3.931 1.00 40.45 N ATOM 405 CA PHE A 27 -9.832 8.297 -4.553 1.00 24.42 C ATOM 406 C PHE A 27 -9.658 6.793 -4.391 1.00 63.11 C ATOM 407 O PHE A 27 -9.283 6.312 -3.322 1.00 11.13 O ATOM 408 CB PHE A 27 -8.644 9.043 -3.936 1.00 40.40 C ATOM 409 CG PHE A 27 -7.331 8.764 -4.617 1.00 71.10 C ATOM 410 CD1 PHE A 27 -6.961 9.477 -5.744 1.00 0.01 C ATOM 411 CD2 PHE A 27 -6.467 7.795 -4.128 1.00 51.10 C ATOM 412 CE1 PHE A 27 -5.758 9.228 -6.378 1.00 62.43 C ATOM 413 CE2 PHE A 27 -5.264 7.541 -4.754 1.00 71.40 C ATOM 414 CZ PHE A 27 -4.908 8.259 -5.882 1.00 33.30 C ATOM 0 H PHE A 27 -10.982 9.043 -2.970 1.00 40.45 H new ATOM 0 HA PHE A 27 -9.869 8.539 -5.615 1.00 24.42 H new ATOM 0 HB2 PHE A 27 -8.841 10.114 -3.973 1.00 40.40 H new ATOM 0 HB3 PHE A 27 -8.562 8.770 -2.884 1.00 40.40 H new ATOM 0 HD1 PHE A 27 -7.621 10.238 -6.133 1.00 0.01 H new ATOM 0 HD2 PHE A 27 -6.739 7.233 -3.247 1.00 51.10 H new ATOM 0 HE1 PHE A 27 -5.484 9.790 -7.259 1.00 62.43 H new ATOM 0 HE2 PHE A 27 -4.601 6.783 -4.364 1.00 71.40 H new ATOM 0 HZ PHE A 27 -3.967 8.062 -6.374 1.00 33.30 H new ATOM 424 N SER A 28 -9.968 6.058 -5.443 1.00 15.51 N ATOM 425 CA SER A 28 -9.875 4.613 -5.421 1.00 20.32 C ATOM 426 C SER A 28 -8.636 4.137 -6.170 1.00 14.34 C ATOM 427 O SER A 28 -8.444 4.456 -7.346 1.00 52.33 O ATOM 428 CB SER A 28 -11.136 4.010 -6.037 1.00 23.22 C ATOM 429 OG SER A 28 -11.501 4.705 -7.219 1.00 71.34 O ATOM 0 H SER A 28 -10.289 6.444 -6.331 1.00 15.51 H new ATOM 0 HA SER A 28 -9.788 4.282 -4.386 1.00 20.32 H new ATOM 0 HB2 SER A 28 -10.967 2.958 -6.266 1.00 23.22 H new ATOM 0 HB3 SER A 28 -11.954 4.052 -5.318 1.00 23.22 H new ATOM 0 HG SER A 28 -10.698 4.898 -7.746 1.00 71.34 H new ATOM 435 N ALA A 29 -7.790 3.387 -5.480 1.00 65.12 N ATOM 436 CA ALA A 29 -6.592 2.840 -6.089 1.00 42.33 C ATOM 437 C ALA A 29 -6.196 1.525 -5.431 1.00 64.50 C ATOM 438 O ALA A 29 -5.641 1.505 -4.332 1.00 73.42 O ATOM 439 CB ALA A 29 -5.445 3.839 -6.011 1.00 21.15 C ATOM 0 H ALA A 29 -7.913 3.144 -4.497 1.00 65.12 H new ATOM 0 HA ALA A 29 -6.810 2.643 -7.139 1.00 42.33 H new ATOM 0 HB1 ALA A 29 -4.556 3.409 -6.473 1.00 21.15 H new ATOM 0 HB2 ALA A 29 -5.722 4.753 -6.537 1.00 21.15 H new ATOM 0 HB3 ALA A 29 -5.235 4.071 -4.967 1.00 21.15 H new ATOM 445 N ASP A 30 -6.514 0.424 -6.089 1.00 52.23 N ATOM 446 CA ASP A 30 -6.095 -0.883 -5.621 1.00 74.35 C ATOM 447 C ASP A 30 -4.891 -1.360 -6.429 1.00 5.12 C ATOM 448 O ASP A 30 -5.003 -1.732 -7.596 1.00 53.40 O ATOM 449 CB ASP A 30 -7.248 -1.898 -5.678 1.00 72.31 C ATOM 450 CG ASP A 30 -7.843 -2.072 -7.062 1.00 11.43 C ATOM 451 OD1 ASP A 30 -8.536 -1.147 -7.535 1.00 0.15 O ATOM 452 OD2 ASP A 30 -7.645 -3.148 -7.669 1.00 74.01 O ATOM 0 H ASP A 30 -7.061 0.410 -6.950 1.00 52.23 H new ATOM 0 HA ASP A 30 -5.801 -0.799 -4.575 1.00 74.35 H new ATOM 0 HB2 ASP A 30 -6.887 -2.864 -5.324 1.00 72.31 H new ATOM 0 HB3 ASP A 30 -8.034 -1.580 -4.992 1.00 72.31 H new ATOM 457 N ALA A 31 -3.731 -1.316 -5.803 1.00 42.03 N ATOM 458 CA ALA A 31 -2.489 -1.649 -6.479 1.00 31.33 C ATOM 459 C ALA A 31 -1.995 -3.025 -6.059 1.00 11.31 C ATOM 460 O ALA A 31 -2.042 -3.380 -4.883 1.00 44.43 O ATOM 461 CB ALA A 31 -1.438 -0.591 -6.183 1.00 25.12 C ATOM 0 H ALA A 31 -3.621 -1.052 -4.824 1.00 42.03 H new ATOM 0 HA ALA A 31 -2.674 -1.673 -7.553 1.00 31.33 H new ATOM 0 HB1 ALA A 31 -0.510 -0.848 -6.693 1.00 25.12 H new ATOM 0 HB2 ALA A 31 -1.789 0.379 -6.535 1.00 25.12 H new ATOM 0 HB3 ALA A 31 -1.261 -0.545 -5.109 1.00 25.12 H new ATOM 467 N ARG A 32 -1.538 -3.799 -7.026 1.00 53.43 N ATOM 468 CA ARG A 32 -1.015 -5.121 -6.748 1.00 53.11 C ATOM 469 C ARG A 32 0.505 -5.121 -6.860 1.00 14.31 C ATOM 470 O ARG A 32 1.061 -4.859 -7.925 1.00 64.33 O ATOM 471 CB ARG A 32 -1.635 -6.165 -7.686 1.00 12.22 C ATOM 472 CG ARG A 32 -1.458 -5.866 -9.169 1.00 1.12 C ATOM 473 CD ARG A 32 -2.052 -6.970 -10.030 1.00 23.03 C ATOM 474 NE ARG A 32 -1.791 -6.768 -11.456 1.00 14.23 N ATOM 475 CZ ARG A 32 -1.446 -7.746 -12.300 1.00 65.01 C ATOM 476 NH1 ARG A 32 -1.365 -9.002 -11.873 1.00 34.04 N ATOM 477 NH2 ARG A 32 -1.185 -7.468 -13.573 1.00 62.13 N ATOM 0 H ARG A 32 -1.519 -3.534 -8.011 1.00 53.43 H new ATOM 0 HA ARG A 32 -1.285 -5.391 -5.727 1.00 53.11 H new ATOM 0 HB2 ARG A 32 -1.193 -7.138 -7.469 1.00 12.22 H new ATOM 0 HB3 ARG A 32 -2.700 -6.243 -7.469 1.00 12.22 H new ATOM 0 HG2 ARG A 32 -1.936 -4.917 -9.410 1.00 1.12 H new ATOM 0 HG3 ARG A 32 -0.398 -5.756 -9.396 1.00 1.12 H new ATOM 0 HD2 ARG A 32 -1.639 -7.930 -9.720 1.00 23.03 H new ATOM 0 HD3 ARG A 32 -3.128 -7.017 -9.864 1.00 23.03 H new ATOM 0 HE ARG A 32 -1.878 -5.823 -11.829 1.00 14.23 H new ATOM 0 HH11 ARG A 32 -1.566 -9.223 -10.898 1.00 34.04 H new ATOM 0 HH12 ARG A 32 -1.101 -9.745 -12.520 1.00 34.04 H new ATOM 0 HH21 ARG A 32 -1.248 -6.507 -13.908 1.00 62.13 H new ATOM 0 HH22 ARG A 32 -0.922 -8.216 -14.215 1.00 62.13 H new ATOM 491 N PHE A 33 1.167 -5.381 -5.747 1.00 2.24 N ATOM 492 CA PHE A 33 2.621 -5.432 -5.719 1.00 32.31 C ATOM 493 C PHE A 33 3.103 -6.823 -5.338 1.00 63.24 C ATOM 494 O PHE A 33 2.307 -7.685 -4.957 1.00 23.31 O ATOM 495 CB PHE A 33 3.184 -4.400 -4.735 1.00 73.30 C ATOM 496 CG PHE A 33 3.018 -2.976 -5.183 1.00 21.52 C ATOM 497 CD1 PHE A 33 3.882 -2.426 -6.119 1.00 23.14 C ATOM 498 CD2 PHE A 33 2.007 -2.184 -4.664 1.00 31.24 C ATOM 499 CE1 PHE A 33 3.735 -1.116 -6.532 1.00 40.05 C ATOM 500 CE2 PHE A 33 1.856 -0.872 -5.073 1.00 22.20 C ATOM 501 CZ PHE A 33 2.723 -0.336 -6.006 1.00 52.44 C ATOM 0 H PHE A 33 0.721 -5.561 -4.847 1.00 2.24 H new ATOM 0 HA PHE A 33 2.982 -5.195 -6.720 1.00 32.31 H new ATOM 0 HB2 PHE A 33 2.692 -4.527 -3.771 1.00 73.30 H new ATOM 0 HB3 PHE A 33 4.244 -4.601 -4.581 1.00 73.30 H new ATOM 0 HD1 PHE A 33 4.679 -3.029 -6.529 1.00 23.14 H new ATOM 0 HD2 PHE A 33 1.329 -2.596 -3.931 1.00 31.24 H new ATOM 0 HE1 PHE A 33 4.411 -0.702 -7.266 1.00 40.05 H new ATOM 0 HE2 PHE A 33 1.061 -0.266 -4.664 1.00 22.20 H new ATOM 0 HZ PHE A 33 2.610 0.690 -6.323 1.00 52.44 H new ATOM 511 N SER A 34 4.404 -7.039 -5.446 1.00 12.30 N ATOM 512 CA SER A 34 5.000 -8.307 -5.071 1.00 61.54 C ATOM 513 C SER A 34 5.064 -8.438 -3.548 1.00 73.31 C ATOM 514 O SER A 34 5.381 -7.477 -2.847 1.00 14.24 O ATOM 515 CB SER A 34 6.399 -8.422 -5.679 1.00 64.43 C ATOM 516 OG SER A 34 6.351 -8.262 -7.090 1.00 52.23 O ATOM 0 H SER A 34 5.069 -6.347 -5.792 1.00 12.30 H new ATOM 0 HA SER A 34 4.381 -9.117 -5.456 1.00 61.54 H new ATOM 0 HB2 SER A 34 7.052 -7.665 -5.245 1.00 64.43 H new ATOM 0 HB3 SER A 34 6.829 -9.393 -5.433 1.00 64.43 H new ATOM 0 HG SER A 34 7.256 -8.337 -7.459 1.00 52.23 H new ATOM 522 N PRO A 35 4.740 -9.627 -3.015 1.00 40.23 N ATOM 523 CA PRO A 35 4.785 -9.882 -1.574 1.00 11.02 C ATOM 524 C PRO A 35 6.211 -9.826 -1.034 1.00 73.34 C ATOM 525 O PRO A 35 7.175 -9.886 -1.799 1.00 14.05 O ATOM 526 CB PRO A 35 4.203 -11.292 -1.432 1.00 54.42 C ATOM 527 CG PRO A 35 4.398 -11.925 -2.766 1.00 61.01 C ATOM 528 CD PRO A 35 4.307 -10.812 -3.771 1.00 12.14 C ATOM 0 HA PRO A 35 4.232 -9.133 -1.007 1.00 11.02 H new ATOM 0 HB2 PRO A 35 4.715 -11.853 -0.650 1.00 54.42 H new ATOM 0 HB3 PRO A 35 3.148 -11.258 -1.162 1.00 54.42 H new ATOM 0 HG2 PRO A 35 5.365 -12.424 -2.823 1.00 61.01 H new ATOM 0 HG3 PRO A 35 3.637 -12.683 -2.953 1.00 61.01 H new ATOM 0 HD2 PRO A 35 4.950 -10.995 -4.632 1.00 12.14 H new ATOM 0 HD3 PRO A 35 3.292 -10.697 -4.151 1.00 12.14 H new ATOM 536 N GLN A 36 6.328 -9.703 0.288 1.00 50.42 N ATOM 537 CA GLN A 36 7.623 -9.580 0.961 1.00 55.15 C ATOM 538 C GLN A 36 8.297 -8.258 0.594 1.00 31.34 C ATOM 539 O GLN A 36 9.518 -8.124 0.668 1.00 71.14 O ATOM 540 CB GLN A 36 8.541 -10.764 0.629 1.00 74.21 C ATOM 541 CG GLN A 36 7.979 -12.114 1.048 1.00 3.43 C ATOM 542 CD GLN A 36 8.962 -13.248 0.837 1.00 64.52 C ATOM 543 OE1 GLN A 36 9.740 -13.581 1.726 1.00 11.55 O ATOM 544 NE2 GLN A 36 8.941 -13.842 -0.344 1.00 73.41 N ATOM 0 H GLN A 36 5.530 -9.686 0.923 1.00 50.42 H new ATOM 0 HA GLN A 36 7.441 -9.591 2.036 1.00 55.15 H new ATOM 0 HB2 GLN A 36 8.728 -10.776 -0.445 1.00 74.21 H new ATOM 0 HB3 GLN A 36 9.503 -10.614 1.119 1.00 74.21 H new ATOM 0 HG2 GLN A 36 7.697 -12.075 2.100 1.00 3.43 H new ATOM 0 HG3 GLN A 36 7.070 -12.316 0.481 1.00 3.43 H new ATOM 0 HE21 GLN A 36 8.279 -13.536 -1.057 1.00 73.41 H new ATOM 0 HE22 GLN A 36 9.587 -14.606 -0.542 1.00 73.41 H new ATOM 553 N MET A 37 7.478 -7.288 0.208 1.00 40.21 N ATOM 554 CA MET A 37 7.953 -5.949 -0.105 1.00 75.32 C ATOM 555 C MET A 37 8.253 -5.184 1.180 1.00 4.51 C ATOM 556 O MET A 37 7.509 -5.284 2.155 1.00 41.22 O ATOM 557 CB MET A 37 6.899 -5.203 -0.934 1.00 11.41 C ATOM 558 CG MET A 37 7.268 -3.765 -1.259 1.00 31.51 C ATOM 559 SD MET A 37 5.988 -2.930 -2.219 1.00 71.41 S ATOM 560 CE MET A 37 6.686 -1.288 -2.366 1.00 11.00 C ATOM 0 H MET A 37 6.470 -7.408 0.104 1.00 40.21 H new ATOM 0 HA MET A 37 8.872 -6.025 -0.687 1.00 75.32 H new ATOM 0 HB2 MET A 37 6.736 -5.744 -1.866 1.00 11.41 H new ATOM 0 HB3 MET A 37 5.954 -5.210 -0.391 1.00 11.41 H new ATOM 0 HG2 MET A 37 7.439 -3.218 -0.332 1.00 31.51 H new ATOM 0 HG3 MET A 37 8.205 -3.750 -1.816 1.00 31.51 H new ATOM 0 HE1 MET A 37 6.081 -0.695 -3.052 1.00 11.00 H new ATOM 0 HE2 MET A 37 6.699 -0.809 -1.387 1.00 11.00 H new ATOM 0 HE3 MET A 37 7.704 -1.358 -2.749 1.00 11.00 H new ATOM 570 N SER A 38 9.345 -4.437 1.184 1.00 34.13 N ATOM 571 CA SER A 38 9.738 -3.675 2.356 1.00 52.11 C ATOM 572 C SER A 38 9.034 -2.317 2.381 1.00 65.42 C ATOM 573 O SER A 38 8.854 -1.673 1.346 1.00 34.12 O ATOM 574 CB SER A 38 11.254 -3.496 2.366 1.00 21.21 C ATOM 575 OG SER A 38 11.900 -4.754 2.271 1.00 71.44 O ATOM 0 H SER A 38 9.975 -4.343 0.387 1.00 34.13 H new ATOM 0 HA SER A 38 9.439 -4.222 3.250 1.00 52.11 H new ATOM 0 HB2 SER A 38 11.557 -2.860 1.534 1.00 21.21 H new ATOM 0 HB3 SER A 38 11.561 -2.990 3.282 1.00 21.21 H new ATOM 0 HG SER A 38 12.871 -4.624 2.277 1.00 71.44 H new ATOM 581 N VAL A 39 8.656 -1.883 3.576 1.00 1.20 N ATOM 582 CA VAL A 39 7.907 -0.649 3.758 1.00 11.20 C ATOM 583 C VAL A 39 8.785 0.574 3.486 1.00 54.53 C ATOM 584 O VAL A 39 8.288 1.642 3.125 1.00 51.51 O ATOM 585 CB VAL A 39 7.328 -0.560 5.188 1.00 44.21 C ATOM 586 CG1 VAL A 39 6.437 0.665 5.344 1.00 31.11 C ATOM 587 CG2 VAL A 39 6.561 -1.830 5.535 1.00 74.51 C ATOM 0 H VAL A 39 8.860 -2.377 4.445 1.00 1.20 H new ATOM 0 HA VAL A 39 7.085 -0.659 3.042 1.00 11.20 H new ATOM 0 HB VAL A 39 8.162 -0.459 5.883 1.00 44.21 H new ATOM 0 HG11 VAL A 39 6.044 0.702 6.360 1.00 31.11 H new ATOM 0 HG12 VAL A 39 7.019 1.566 5.147 1.00 31.11 H new ATOM 0 HG13 VAL A 39 5.610 0.606 4.637 1.00 31.11 H new ATOM 0 HG21 VAL A 39 6.161 -1.749 6.546 1.00 74.51 H new ATOM 0 HG22 VAL A 39 5.741 -1.964 4.830 1.00 74.51 H new ATOM 0 HG23 VAL A 39 7.232 -2.687 5.478 1.00 74.51 H new ATOM 597 N GLU A 40 10.097 0.409 3.631 1.00 72.22 N ATOM 598 CA GLU A 40 11.031 1.509 3.410 1.00 55.41 C ATOM 599 C GLU A 40 10.963 2.004 1.960 1.00 30.20 C ATOM 600 O GLU A 40 11.382 3.120 1.652 1.00 41.53 O ATOM 601 CB GLU A 40 12.462 1.079 3.751 1.00 4.12 C ATOM 602 CG GLU A 40 13.440 2.241 3.822 1.00 11.21 C ATOM 603 CD GLU A 40 14.850 1.808 4.164 1.00 55.15 C ATOM 604 OE1 GLU A 40 15.145 1.601 5.357 1.00 73.34 O ATOM 605 OE2 GLU A 40 15.679 1.691 3.237 1.00 35.02 O ATOM 0 H GLU A 40 10.536 -0.472 3.899 1.00 72.22 H new ATOM 0 HA GLU A 40 10.743 2.329 4.069 1.00 55.41 H new ATOM 0 HB2 GLU A 40 12.459 0.557 4.708 1.00 4.12 H new ATOM 0 HB3 GLU A 40 12.808 0.367 3.001 1.00 4.12 H new ATOM 0 HG2 GLU A 40 13.448 2.761 2.864 1.00 11.21 H new ATOM 0 HG3 GLU A 40 13.094 2.955 4.569 1.00 11.21 H new ATOM 612 N ALA A 41 10.414 1.177 1.077 1.00 2.10 N ATOM 613 CA ALA A 41 10.260 1.545 -0.324 1.00 11.45 C ATOM 614 C ALA A 41 9.314 2.736 -0.478 1.00 15.44 C ATOM 615 O ALA A 41 9.543 3.621 -1.303 1.00 3.23 O ATOM 616 CB ALA A 41 9.758 0.359 -1.135 1.00 75.42 C ATOM 0 H ALA A 41 10.068 0.246 1.308 1.00 2.10 H new ATOM 0 HA ALA A 41 11.238 1.838 -0.705 1.00 11.45 H new ATOM 0 HB1 ALA A 41 9.649 0.652 -2.179 1.00 75.42 H new ATOM 0 HB2 ALA A 41 10.473 -0.461 -1.061 1.00 75.42 H new ATOM 0 HB3 ALA A 41 8.793 0.035 -0.746 1.00 75.42 H new ATOM 622 N VAL A 42 8.261 2.771 0.334 1.00 42.52 N ATOM 623 CA VAL A 42 7.295 3.864 0.263 1.00 4.33 C ATOM 624 C VAL A 42 7.831 5.094 1.001 1.00 32.44 C ATOM 625 O VAL A 42 7.386 6.220 0.769 1.00 43.21 O ATOM 626 CB VAL A 42 5.910 3.453 0.825 1.00 74.43 C ATOM 627 CG1 VAL A 42 5.925 3.355 2.345 1.00 63.03 C ATOM 628 CG2 VAL A 42 4.829 4.415 0.351 1.00 61.44 C ATOM 0 H VAL A 42 8.056 2.065 1.041 1.00 42.52 H new ATOM 0 HA VAL A 42 7.156 4.112 -0.789 1.00 4.33 H new ATOM 0 HB VAL A 42 5.679 2.460 0.439 1.00 74.43 H new ATOM 0 HG11 VAL A 42 4.936 3.065 2.701 1.00 63.03 H new ATOM 0 HG12 VAL A 42 6.656 2.608 2.654 1.00 63.03 H new ATOM 0 HG13 VAL A 42 6.194 4.322 2.769 1.00 63.03 H new ATOM 0 HG21 VAL A 42 3.865 4.108 0.757 1.00 61.44 H new ATOM 0 HG22 VAL A 42 5.063 5.423 0.694 1.00 61.44 H new ATOM 0 HG23 VAL A 42 4.784 4.404 -0.738 1.00 61.44 H new ATOM 638 N LYS A 43 8.820 4.864 1.862 1.00 15.24 N ATOM 639 CA LYS A 43 9.480 5.944 2.596 1.00 32.22 C ATOM 640 C LYS A 43 10.221 6.867 1.639 1.00 51.53 C ATOM 641 O LYS A 43 10.409 8.049 1.927 1.00 3.42 O ATOM 642 CB LYS A 43 10.459 5.369 3.621 1.00 25.41 C ATOM 643 CG LYS A 43 9.793 4.743 4.834 1.00 52.20 C ATOM 644 CD LYS A 43 9.409 5.794 5.865 1.00 21.52 C ATOM 645 CE LYS A 43 8.788 5.159 7.097 1.00 4.35 C ATOM 646 NZ LYS A 43 8.698 6.119 8.227 1.00 41.41 N ATOM 0 H LYS A 43 9.184 3.934 2.070 1.00 15.24 H new ATOM 0 HA LYS A 43 8.715 6.519 3.117 1.00 32.22 H new ATOM 0 HB2 LYS A 43 11.079 4.617 3.133 1.00 25.41 H new ATOM 0 HB3 LYS A 43 11.126 6.164 3.956 1.00 25.41 H new ATOM 0 HG2 LYS A 43 8.903 4.197 4.520 1.00 52.20 H new ATOM 0 HG3 LYS A 43 10.469 4.017 5.287 1.00 52.20 H new ATOM 0 HD2 LYS A 43 10.293 6.363 6.153 1.00 21.52 H new ATOM 0 HD3 LYS A 43 8.705 6.500 5.423 1.00 21.52 H new ATOM 0 HE2 LYS A 43 7.792 4.791 6.853 1.00 4.35 H new ATOM 0 HE3 LYS A 43 9.382 4.296 7.399 1.00 4.35 H new ATOM 0 HZ1 LYS A 43 8.269 5.648 9.049 1.00 41.41 H new ATOM 0 HZ2 LYS A 43 9.651 6.451 8.477 1.00 41.41 H new ATOM 0 HZ3 LYS A 43 8.111 6.930 7.947 1.00 41.41 H new ATOM 660 N GLU A 44 10.655 6.316 0.513 1.00 43.22 N ATOM 661 CA GLU A 44 11.301 7.107 -0.527 1.00 0.12 C ATOM 662 C GLU A 44 10.283 7.535 -1.584 1.00 54.34 C ATOM 663 O GLU A 44 10.378 8.625 -2.150 1.00 2.44 O ATOM 664 CB GLU A 44 12.431 6.312 -1.191 1.00 40.44 C ATOM 665 CG GLU A 44 13.121 7.075 -2.310 1.00 44.33 C ATOM 666 CD GLU A 44 14.126 6.237 -3.070 1.00 24.42 C ATOM 667 OE1 GLU A 44 13.709 5.462 -3.960 1.00 35.45 O ATOM 668 OE2 GLU A 44 15.338 6.368 -2.799 1.00 21.21 O ATOM 0 H GLU A 44 10.571 5.323 0.296 1.00 43.22 H new ATOM 0 HA GLU A 44 11.724 7.996 -0.059 1.00 0.12 H new ATOM 0 HB2 GLU A 44 13.169 6.041 -0.436 1.00 40.44 H new ATOM 0 HB3 GLU A 44 12.027 5.382 -1.590 1.00 40.44 H new ATOM 0 HG2 GLU A 44 12.369 7.448 -3.005 1.00 44.33 H new ATOM 0 HG3 GLU A 44 13.626 7.945 -1.890 1.00 44.33 H new ATOM 675 N LYS A 45 9.296 6.681 -1.824 1.00 1.24 N ATOM 676 CA LYS A 45 8.323 6.912 -2.884 1.00 33.44 C ATOM 677 C LYS A 45 7.516 8.186 -2.631 1.00 34.41 C ATOM 678 O LYS A 45 7.224 8.942 -3.557 1.00 31.44 O ATOM 679 CB LYS A 45 7.387 5.707 -3.006 1.00 51.41 C ATOM 680 CG LYS A 45 6.778 5.526 -4.391 1.00 34.43 C ATOM 681 CD LYS A 45 7.800 5.015 -5.406 1.00 74.32 C ATOM 682 CE LYS A 45 8.743 6.112 -5.882 1.00 35.04 C ATOM 683 NZ LYS A 45 9.900 5.568 -6.639 1.00 55.12 N ATOM 0 H LYS A 45 9.148 5.820 -1.297 1.00 1.24 H new ATOM 0 HA LYS A 45 8.866 7.042 -3.820 1.00 33.44 H new ATOM 0 HB2 LYS A 45 7.939 4.805 -2.743 1.00 51.41 H new ATOM 0 HB3 LYS A 45 6.582 5.811 -2.278 1.00 51.41 H new ATOM 0 HG2 LYS A 45 5.945 4.825 -4.332 1.00 34.43 H new ATOM 0 HG3 LYS A 45 6.371 6.477 -4.735 1.00 34.43 H new ATOM 0 HD2 LYS A 45 8.381 4.209 -4.958 1.00 74.32 H new ATOM 0 HD3 LYS A 45 7.276 4.592 -6.263 1.00 74.32 H new ATOM 0 HE2 LYS A 45 8.195 6.812 -6.513 1.00 35.04 H new ATOM 0 HE3 LYS A 45 9.106 6.675 -5.022 1.00 35.04 H new ATOM 0 HZ1 LYS A 45 10.515 6.350 -6.943 1.00 55.12 H new ATOM 0 HZ2 LYS A 45 10.440 4.920 -6.030 1.00 55.12 H new ATOM 0 HZ3 LYS A 45 9.557 5.052 -7.474 1.00 55.12 H new ATOM 697 N LEU A 46 7.176 8.429 -1.371 1.00 4.13 N ATOM 698 CA LEU A 46 6.416 9.621 -1.001 1.00 52.31 C ATOM 699 C LEU A 46 7.346 10.731 -0.528 1.00 72.24 C ATOM 700 O LEU A 46 6.905 11.832 -0.192 1.00 15.11 O ATOM 701 CB LEU A 46 5.399 9.289 0.094 1.00 42.41 C ATOM 702 CG LEU A 46 4.346 8.247 -0.283 1.00 21.53 C ATOM 703 CD1 LEU A 46 3.431 7.971 0.899 1.00 2.15 C ATOM 704 CD2 LEU A 46 3.534 8.712 -1.484 1.00 24.35 C ATOM 0 H LEU A 46 7.413 7.819 -0.588 1.00 4.13 H new ATOM 0 HA LEU A 46 5.882 9.969 -1.885 1.00 52.31 H new ATOM 0 HB2 LEU A 46 5.939 8.934 0.972 1.00 42.41 H new ATOM 0 HB3 LEU A 46 4.889 10.208 0.383 1.00 42.41 H new ATOM 0 HG LEU A 46 4.858 7.323 -0.553 1.00 21.53 H new ATOM 0 HD11 LEU A 46 2.686 7.227 0.616 1.00 2.15 H new ATOM 0 HD12 LEU A 46 4.020 7.595 1.735 1.00 2.15 H new ATOM 0 HD13 LEU A 46 2.930 8.893 1.194 1.00 2.15 H new ATOM 0 HD21 LEU A 46 2.791 7.956 -1.735 1.00 24.35 H new ATOM 0 HD22 LEU A 46 3.032 9.649 -1.243 1.00 24.35 H new ATOM 0 HD23 LEU A 46 4.198 8.865 -2.335 1.00 24.35 H new ATOM 716 N TRP A 47 8.642 10.450 -0.547 1.00 4.34 N ATOM 717 CA TRP A 47 9.646 11.376 -0.032 1.00 23.11 C ATOM 718 C TRP A 47 9.943 12.470 -1.059 1.00 30.33 C ATOM 719 O TRP A 47 10.821 13.312 -0.860 1.00 62.24 O ATOM 720 CB TRP A 47 10.918 10.596 0.309 1.00 12.11 C ATOM 721 CG TRP A 47 11.863 11.305 1.230 1.00 1.13 C ATOM 722 CD1 TRP A 47 11.541 12.040 2.335 1.00 35.31 C ATOM 723 CD2 TRP A 47 13.293 11.316 1.139 1.00 5.51 C ATOM 724 NE1 TRP A 47 12.684 12.516 2.932 1.00 72.05 N ATOM 725 CE2 TRP A 47 13.772 12.087 2.214 1.00 25.11 C ATOM 726 CE3 TRP A 47 14.214 10.755 0.248 1.00 65.34 C ATOM 727 CZ2 TRP A 47 15.132 12.305 2.425 1.00 2.21 C ATOM 728 CZ3 TRP A 47 15.561 10.974 0.460 1.00 12.43 C ATOM 729 CH2 TRP A 47 16.008 11.743 1.537 1.00 25.04 C ATOM 0 H TRP A 47 9.027 9.581 -0.917 1.00 4.34 H new ATOM 0 HA TRP A 47 9.267 11.858 0.869 1.00 23.11 H new ATOM 0 HB2 TRP A 47 10.634 9.647 0.763 1.00 12.11 H new ATOM 0 HB3 TRP A 47 11.443 10.362 -0.617 1.00 12.11 H new ATOM 0 HD1 TRP A 47 10.536 12.221 2.688 1.00 35.31 H new ATOM 0 HE1 TRP A 47 12.718 13.094 3.772 1.00 72.05 H new ATOM 0 HE3 TRP A 47 13.878 10.162 -0.590 1.00 65.34 H new ATOM 0 HZ2 TRP A 47 15.482 12.896 3.259 1.00 2.21 H new ATOM 0 HZ3 TRP A 47 16.282 10.543 -0.219 1.00 12.43 H new ATOM 0 HH2 TRP A 47 17.068 11.897 1.672 1.00 25.04 H new ATOM 740 N LYS A 48 9.212 12.444 -2.165 1.00 44.15 N ATOM 741 CA LYS A 48 9.354 13.455 -3.201 1.00 4.44 C ATOM 742 C LYS A 48 8.213 14.470 -3.120 1.00 50.44 C ATOM 743 O LYS A 48 8.167 15.428 -3.894 1.00 22.45 O ATOM 744 CB LYS A 48 9.399 12.802 -4.588 1.00 35.01 C ATOM 745 CG LYS A 48 8.193 11.930 -4.907 1.00 43.51 C ATOM 746 CD LYS A 48 8.298 11.336 -6.303 1.00 13.03 C ATOM 747 CE LYS A 48 7.111 10.445 -6.630 1.00 22.33 C ATOM 748 NZ LYS A 48 5.821 11.174 -6.520 1.00 0.23 N ATOM 0 H LYS A 48 8.512 11.730 -2.367 1.00 44.15 H new ATOM 0 HA LYS A 48 10.294 13.983 -3.040 1.00 4.44 H new ATOM 0 HB2 LYS A 48 9.477 13.584 -5.343 1.00 35.01 H new ATOM 0 HB3 LYS A 48 10.302 12.195 -4.662 1.00 35.01 H new ATOM 0 HG2 LYS A 48 8.116 11.128 -4.173 1.00 43.51 H new ATOM 0 HG3 LYS A 48 7.281 12.523 -4.829 1.00 43.51 H new ATOM 0 HD2 LYS A 48 8.361 12.140 -7.036 1.00 13.03 H new ATOM 0 HD3 LYS A 48 9.219 10.758 -6.384 1.00 13.03 H new ATOM 0 HE2 LYS A 48 7.220 10.052 -7.641 1.00 22.33 H new ATOM 0 HE3 LYS A 48 7.103 9.590 -5.955 1.00 22.33 H new ATOM 0 HZ1 LYS A 48 5.065 10.609 -6.957 1.00 0.23 H new ATOM 0 HZ2 LYS A 48 5.598 11.335 -5.517 1.00 0.23 H new ATOM 0 HZ3 LYS A 48 5.896 12.089 -7.009 1.00 0.23 H new ATOM 762 N LYS A 49 7.294 14.257 -2.182 1.00 32.41 N ATOM 763 CA LYS A 49 6.190 15.188 -1.976 1.00 2.01 C ATOM 764 C LYS A 49 6.486 16.103 -0.796 1.00 43.34 C ATOM 765 O LYS A 49 6.331 17.323 -0.886 1.00 75.14 O ATOM 766 CB LYS A 49 4.872 14.442 -1.734 1.00 73.34 C ATOM 767 CG LYS A 49 3.685 15.372 -1.498 1.00 65.01 C ATOM 768 CD LYS A 49 2.388 14.603 -1.286 1.00 11.04 C ATOM 769 CE LYS A 49 1.225 15.548 -1.018 1.00 53.31 C ATOM 770 NZ LYS A 49 -0.049 14.818 -0.770 1.00 20.34 N ATOM 0 H LYS A 49 7.292 13.452 -1.556 1.00 32.41 H new ATOM 0 HA LYS A 49 6.085 15.786 -2.881 1.00 2.01 H new ATOM 0 HB2 LYS A 49 4.660 13.805 -2.593 1.00 73.34 H new ATOM 0 HB3 LYS A 49 4.987 13.786 -0.871 1.00 73.34 H new ATOM 0 HG2 LYS A 49 3.882 15.997 -0.627 1.00 65.01 H new ATOM 0 HG3 LYS A 49 3.574 16.041 -2.351 1.00 65.01 H new ATOM 0 HD2 LYS A 49 2.173 13.998 -2.167 1.00 11.04 H new ATOM 0 HD3 LYS A 49 2.502 13.916 -0.448 1.00 11.04 H new ATOM 0 HE2 LYS A 49 1.458 16.172 -0.155 1.00 53.31 H new ATOM 0 HE3 LYS A 49 1.099 16.216 -1.870 1.00 53.31 H new ATOM 0 HZ1 LYS A 49 -0.760 15.478 -0.396 1.00 20.34 H new ATOM 0 HZ2 LYS A 49 -0.393 14.407 -1.661 1.00 20.34 H new ATOM 0 HZ3 LYS A 49 0.115 14.058 -0.079 1.00 20.34 H new ATOM 784 N CYS A 50 6.922 15.510 0.305 1.00 45.44 N ATOM 785 CA CYS A 50 7.197 16.260 1.518 1.00 10.13 C ATOM 786 C CYS A 50 8.505 15.803 2.154 1.00 3.13 C ATOM 787 O CYS A 50 8.659 14.633 2.509 1.00 54.22 O ATOM 788 CB CYS A 50 6.034 16.098 2.502 1.00 25.14 C ATOM 789 SG CYS A 50 5.544 14.379 2.785 1.00 42.22 S ATOM 0 H CYS A 50 7.093 14.507 0.382 1.00 45.44 H new ATOM 0 HA CYS A 50 7.301 17.314 1.261 1.00 10.13 H new ATOM 0 HB2 CYS A 50 6.313 16.547 3.455 1.00 25.14 H new ATOM 0 HB3 CYS A 50 5.174 16.653 2.127 1.00 25.14 H new ATOM 0 HG CYS A 50 6.602 13.624 2.809 1.00 42.22 H new ATOM 795 N GLY A 51 9.445 16.730 2.289 1.00 74.32 N ATOM 796 CA GLY A 51 10.716 16.422 2.916 1.00 51.04 C ATOM 797 C GLY A 51 10.636 16.480 4.430 1.00 62.25 C ATOM 798 O GLY A 51 11.644 16.348 5.119 1.00 1.52 O ATOM 0 H GLY A 51 9.349 17.695 1.973 1.00 74.32 H new ATOM 0 HA2 GLY A 51 11.040 15.428 2.609 1.00 51.04 H new ATOM 0 HA3 GLY A 51 11.472 17.125 2.566 1.00 51.04 H new ATOM 802 N THR A 52 9.430 16.661 4.948 1.00 63.42 N ATOM 803 CA THR A 52 9.206 16.716 6.385 1.00 21.14 C ATOM 804 C THR A 52 8.975 15.309 6.941 1.00 51.32 C ATOM 805 O THR A 52 8.523 15.144 8.076 1.00 31.54 O ATOM 806 CB THR A 52 7.981 17.597 6.696 1.00 14.24 C ATOM 807 OG1 THR A 52 7.892 18.655 5.733 1.00 73.43 O ATOM 808 CG2 THR A 52 8.074 18.199 8.092 1.00 51.13 C ATOM 0 H THR A 52 8.585 16.773 4.389 1.00 63.42 H new ATOM 0 HA THR A 52 10.090 17.146 6.856 1.00 21.14 H new ATOM 0 HB THR A 52 7.092 16.968 6.648 1.00 14.24 H new ATOM 0 HG1 THR A 52 7.111 19.213 5.931 1.00 73.43 H new ATOM 0 HG21 THR A 52 7.195 18.815 8.282 1.00 51.13 H new ATOM 0 HG22 THR A 52 8.123 17.399 8.831 1.00 51.13 H new ATOM 0 HG23 THR A 52 8.971 18.814 8.164 1.00 51.13 H new ATOM 816 N SER A 53 9.302 14.303 6.120 1.00 55.34 N ATOM 817 CA SER A 53 9.075 12.895 6.444 1.00 65.04 C ATOM 818 C SER A 53 7.581 12.571 6.380 1.00 53.22 C ATOM 819 O SER A 53 6.733 13.416 6.687 1.00 15.43 O ATOM 820 CB SER A 53 9.657 12.542 7.825 1.00 43.24 C ATOM 821 OG SER A 53 9.614 11.141 8.069 1.00 55.11 O ATOM 0 H SER A 53 9.734 14.447 5.207 1.00 55.34 H new ATOM 0 HA SER A 53 9.593 12.285 5.704 1.00 65.04 H new ATOM 0 HB2 SER A 53 10.688 12.891 7.886 1.00 43.24 H new ATOM 0 HB3 SER A 53 9.097 13.064 8.601 1.00 43.24 H new ATOM 0 HG SER A 53 9.992 10.951 8.953 1.00 55.11 H new ATOM 827 N VAL A 54 7.252 11.361 5.947 1.00 5.45 N ATOM 828 CA VAL A 54 5.859 10.954 5.847 1.00 53.31 C ATOM 829 C VAL A 54 5.264 10.702 7.232 1.00 12.42 C ATOM 830 O VAL A 54 5.279 9.586 7.754 1.00 34.14 O ATOM 831 CB VAL A 54 5.667 9.722 4.928 1.00 53.11 C ATOM 832 CG1 VAL A 54 5.862 10.122 3.476 1.00 71.42 C ATOM 833 CG2 VAL A 54 6.626 8.596 5.288 1.00 1.34 C ATOM 0 H VAL A 54 7.926 10.650 5.662 1.00 5.45 H new ATOM 0 HA VAL A 54 5.320 11.780 5.384 1.00 53.31 H new ATOM 0 HB VAL A 54 4.651 9.355 5.073 1.00 53.11 H new ATOM 0 HG11 VAL A 54 5.725 9.250 2.837 1.00 71.42 H new ATOM 0 HG12 VAL A 54 5.132 10.886 3.208 1.00 71.42 H new ATOM 0 HG13 VAL A 54 6.869 10.518 3.340 1.00 71.42 H new ATOM 0 HG21 VAL A 54 6.460 7.750 4.621 1.00 1.34 H new ATOM 0 HG22 VAL A 54 7.653 8.945 5.183 1.00 1.34 H new ATOM 0 HG23 VAL A 54 6.452 8.285 6.318 1.00 1.34 H new ATOM 843 N ASN A 55 4.786 11.777 7.841 1.00 64.12 N ATOM 844 CA ASN A 55 4.183 11.720 9.167 1.00 74.42 C ATOM 845 C ASN A 55 2.813 12.383 9.138 1.00 53.52 C ATOM 846 O ASN A 55 1.833 11.842 9.647 1.00 51.45 O ATOM 847 CB ASN A 55 5.084 12.425 10.188 1.00 5.51 C ATOM 848 CG ASN A 55 4.563 12.325 11.609 1.00 74.52 C ATOM 849 OD1 ASN A 55 3.958 11.325 11.997 1.00 54.11 O ATOM 850 ND2 ASN A 55 4.782 13.371 12.391 1.00 62.31 N ATOM 0 H ASN A 55 4.804 12.711 7.432 1.00 64.12 H new ATOM 0 HA ASN A 55 4.070 10.676 9.461 1.00 74.42 H new ATOM 0 HB2 ASN A 55 6.083 11.992 10.142 1.00 5.51 H new ATOM 0 HB3 ASN A 55 5.179 13.476 9.915 1.00 5.51 H new ATOM 0 HD21 ASN A 55 4.445 13.367 13.354 1.00 62.31 H new ATOM 0 HD22 ASN A 55 5.288 14.180 12.031 1.00 62.31 H new ATOM 857 N SER A 56 2.752 13.551 8.513 1.00 1.14 N ATOM 858 CA SER A 56 1.498 14.277 8.346 1.00 1.54 C ATOM 859 C SER A 56 0.689 13.692 7.187 1.00 32.11 C ATOM 860 O SER A 56 -0.398 14.173 6.856 1.00 74.25 O ATOM 861 CB SER A 56 1.798 15.757 8.108 1.00 0.42 C ATOM 862 OG SER A 56 2.882 15.913 7.203 1.00 25.32 O ATOM 0 H SER A 56 3.563 14.020 8.110 1.00 1.14 H new ATOM 0 HA SER A 56 0.900 14.177 9.252 1.00 1.54 H new ATOM 0 HB2 SER A 56 0.912 16.253 7.711 1.00 0.42 H new ATOM 0 HB3 SER A 56 2.036 16.241 9.055 1.00 0.42 H new ATOM 0 HG SER A 56 2.573 16.381 6.400 1.00 25.32 H new ATOM 868 N MET A 57 1.242 12.652 6.578 1.00 51.53 N ATOM 869 CA MET A 57 0.586 11.934 5.497 1.00 10.43 C ATOM 870 C MET A 57 0.871 10.443 5.666 1.00 25.34 C ATOM 871 O MET A 57 1.121 9.719 4.703 1.00 70.20 O ATOM 872 CB MET A 57 1.100 12.444 4.142 1.00 60.13 C ATOM 873 CG MET A 57 0.262 11.999 2.952 1.00 42.05 C ATOM 874 SD MET A 57 0.908 12.605 1.377 1.00 34.31 S ATOM 875 CE MET A 57 2.532 11.844 1.363 1.00 63.32 C ATOM 0 H MET A 57 2.161 12.282 6.821 1.00 51.53 H new ATOM 0 HA MET A 57 -0.491 12.101 5.528 1.00 10.43 H new ATOM 0 HB2 MET A 57 1.131 13.533 4.164 1.00 60.13 H new ATOM 0 HB3 MET A 57 2.124 12.099 4.001 1.00 60.13 H new ATOM 0 HG2 MET A 57 0.222 10.910 2.928 1.00 42.05 H new ATOM 0 HG3 MET A 57 -0.761 12.353 3.081 1.00 42.05 H new ATOM 0 HE1 MET A 57 2.768 11.509 0.353 1.00 63.32 H new ATOM 0 HE2 MET A 57 3.277 12.570 1.688 1.00 63.32 H new ATOM 0 HE3 MET A 57 2.539 10.989 2.039 1.00 63.32 H new ATOM 885 N ALA A 58 0.838 10.001 6.920 1.00 30.24 N ATOM 886 CA ALA A 58 1.188 8.630 7.272 1.00 52.24 C ATOM 887 C ALA A 58 0.117 7.638 6.826 1.00 5.04 C ATOM 888 O ALA A 58 -1.009 8.016 6.498 1.00 14.00 O ATOM 889 CB ALA A 58 1.420 8.517 8.771 1.00 30.45 C ATOM 0 H ALA A 58 0.569 10.580 7.716 1.00 30.24 H new ATOM 0 HA ALA A 58 2.108 8.378 6.745 1.00 52.24 H new ATOM 0 HB1 ALA A 58 1.681 7.489 9.022 1.00 30.45 H new ATOM 0 HB2 ALA A 58 2.234 9.180 9.064 1.00 30.45 H new ATOM 0 HB3 ALA A 58 0.512 8.801 9.302 1.00 30.45 H new ATOM 895 N LEU A 59 0.477 6.362 6.836 1.00 11.02 N ATOM 896 CA LEU A 59 -0.411 5.308 6.369 1.00 21.23 C ATOM 897 C LEU A 59 -1.009 4.535 7.540 1.00 30.41 C ATOM 898 O LEU A 59 -0.300 3.816 8.247 1.00 70.40 O ATOM 899 CB LEU A 59 0.350 4.340 5.457 1.00 73.32 C ATOM 900 CG LEU A 59 1.021 4.973 4.235 1.00 23.12 C ATOM 901 CD1 LEU A 59 1.813 3.930 3.462 1.00 52.23 C ATOM 902 CD2 LEU A 59 -0.016 5.624 3.331 1.00 42.13 C ATOM 0 H LEU A 59 1.384 6.031 7.165 1.00 11.02 H new ATOM 0 HA LEU A 59 -1.221 5.777 5.810 1.00 21.23 H new ATOM 0 HB2 LEU A 59 1.114 3.836 6.049 1.00 73.32 H new ATOM 0 HB3 LEU A 59 -0.343 3.573 5.112 1.00 73.32 H new ATOM 0 HG LEU A 59 1.708 5.744 4.584 1.00 23.12 H new ATOM 0 HD11 LEU A 59 2.283 4.398 2.597 1.00 52.23 H new ATOM 0 HD12 LEU A 59 2.582 3.505 4.107 1.00 52.23 H new ATOM 0 HD13 LEU A 59 1.142 3.139 3.127 1.00 52.23 H new ATOM 0 HD21 LEU A 59 0.481 6.068 2.468 1.00 42.13 H new ATOM 0 HD22 LEU A 59 -0.727 4.871 2.992 1.00 42.13 H new ATOM 0 HD23 LEU A 59 -0.545 6.400 3.884 1.00 42.13 H new ATOM 914 N GLU A 60 -2.306 4.694 7.745 1.00 24.11 N ATOM 915 CA GLU A 60 -3.028 3.888 8.717 1.00 65.34 C ATOM 916 C GLU A 60 -3.371 2.537 8.102 1.00 71.31 C ATOM 917 O GLU A 60 -4.364 2.405 7.389 1.00 22.24 O ATOM 918 CB GLU A 60 -4.311 4.599 9.159 1.00 53.53 C ATOM 919 CG GLU A 60 -4.083 5.774 10.094 1.00 25.43 C ATOM 920 CD GLU A 60 -3.878 5.346 11.532 1.00 54.01 C ATOM 921 OE1 GLU A 60 -4.883 5.120 12.237 1.00 41.13 O ATOM 922 OE2 GLU A 60 -2.717 5.238 11.969 1.00 15.23 O ATOM 0 H GLU A 60 -2.882 5.375 7.250 1.00 24.11 H new ATOM 0 HA GLU A 60 -2.395 3.741 9.592 1.00 65.34 H new ATOM 0 HB2 GLU A 60 -4.841 4.951 8.274 1.00 53.53 H new ATOM 0 HB3 GLU A 60 -4.961 3.877 9.653 1.00 53.53 H new ATOM 0 HG2 GLU A 60 -3.211 6.336 9.759 1.00 25.43 H new ATOM 0 HG3 GLU A 60 -4.938 6.448 10.038 1.00 25.43 H new ATOM 929 N LEU A 61 -2.520 1.552 8.344 1.00 13.03 N ATOM 930 CA LEU A 61 -2.717 0.223 7.789 1.00 45.11 C ATOM 931 C LEU A 61 -3.676 -0.576 8.658 1.00 50.33 C ATOM 932 O LEU A 61 -3.345 -0.957 9.787 1.00 33.22 O ATOM 933 CB LEU A 61 -1.373 -0.504 7.653 1.00 25.13 C ATOM 934 CG LEU A 61 -1.434 -1.881 6.989 1.00 3.45 C ATOM 935 CD1 LEU A 61 -2.048 -1.789 5.601 1.00 72.44 C ATOM 936 CD2 LEU A 61 -0.045 -2.492 6.909 1.00 45.41 C ATOM 0 H LEU A 61 -1.685 1.649 8.922 1.00 13.03 H new ATOM 0 HA LEU A 61 -3.155 0.321 6.796 1.00 45.11 H new ATOM 0 HB2 LEU A 61 -0.695 0.127 7.079 1.00 25.13 H new ATOM 0 HB3 LEU A 61 -0.939 -0.618 8.646 1.00 25.13 H new ATOM 0 HG LEU A 61 -2.067 -2.524 7.601 1.00 3.45 H new ATOM 0 HD11 LEU A 61 -2.080 -2.781 5.151 1.00 72.44 H new ATOM 0 HD12 LEU A 61 -3.060 -1.392 5.677 1.00 72.44 H new ATOM 0 HD13 LEU A 61 -1.445 -1.128 4.979 1.00 72.44 H new ATOM 0 HD21 LEU A 61 -0.105 -3.471 6.434 1.00 45.41 H new ATOM 0 HD22 LEU A 61 0.605 -1.843 6.322 1.00 45.41 H new ATOM 0 HD23 LEU A 61 0.363 -2.600 7.914 1.00 45.41 H new ATOM 948 N TYR A 62 -4.873 -0.798 8.139 1.00 20.14 N ATOM 949 CA TYR A 62 -5.888 -1.555 8.848 1.00 50.22 C ATOM 950 C TYR A 62 -6.033 -2.945 8.251 1.00 21.45 C ATOM 951 O TYR A 62 -6.882 -3.177 7.388 1.00 53.14 O ATOM 952 CB TYR A 62 -7.237 -0.834 8.817 1.00 54.23 C ATOM 953 CG TYR A 62 -7.225 0.522 9.488 1.00 24.30 C ATOM 954 CD1 TYR A 62 -6.952 0.640 10.845 1.00 4.01 C ATOM 955 CD2 TYR A 62 -7.484 1.681 8.767 1.00 41.31 C ATOM 956 CE1 TYR A 62 -6.935 1.875 11.463 1.00 73.12 C ATOM 957 CE2 TYR A 62 -7.467 2.919 9.381 1.00 21.25 C ATOM 958 CZ TYR A 62 -7.194 3.009 10.730 1.00 54.41 C ATOM 959 OH TYR A 62 -7.175 4.241 11.345 1.00 54.32 O ATOM 0 H TYR A 62 -5.165 -0.461 7.222 1.00 20.14 H new ATOM 0 HA TYR A 62 -5.568 -1.645 9.886 1.00 50.22 H new ATOM 0 HB2 TYR A 62 -7.549 -0.712 7.780 1.00 54.23 H new ATOM 0 HB3 TYR A 62 -7.984 -1.462 9.302 1.00 54.23 H new ATOM 0 HD1 TYR A 62 -6.750 -0.248 11.426 1.00 4.01 H new ATOM 0 HD2 TYR A 62 -7.702 1.614 7.711 1.00 41.31 H new ATOM 0 HE1 TYR A 62 -6.719 1.950 12.519 1.00 73.12 H new ATOM 0 HE2 TYR A 62 -7.667 3.812 8.807 1.00 21.25 H new ATOM 0 HH TYR A 62 -6.380 4.310 11.914 1.00 54.32 H new ATOM 969 N ASP A 63 -5.192 -3.860 8.697 1.00 65.31 N ATOM 970 CA ASP A 63 -5.250 -5.229 8.223 1.00 34.01 C ATOM 971 C ASP A 63 -6.272 -6.020 9.013 1.00 1.23 C ATOM 972 O ASP A 63 -6.728 -5.585 10.073 1.00 71.34 O ATOM 973 CB ASP A 63 -3.884 -5.906 8.306 1.00 4.03 C ATOM 974 CG ASP A 63 -2.931 -5.412 7.239 1.00 14.23 C ATOM 975 OD1 ASP A 63 -3.415 -4.929 6.193 1.00 64.22 O ATOM 976 OD2 ASP A 63 -1.705 -5.512 7.450 1.00 52.21 O ATOM 0 H ASP A 63 -4.462 -3.680 9.386 1.00 65.31 H new ATOM 0 HA ASP A 63 -5.552 -5.204 7.176 1.00 34.01 H new ATOM 0 HB2 ASP A 63 -3.450 -5.724 9.289 1.00 4.03 H new ATOM 0 HB3 ASP A 63 -4.009 -6.984 8.207 1.00 4.03 H new ATOM 981 N ASP A 64 -6.642 -7.178 8.473 1.00 32.54 N ATOM 982 CA ASP A 64 -7.652 -8.044 9.083 1.00 41.24 C ATOM 983 C ASP A 64 -9.000 -7.319 9.145 1.00 50.22 C ATOM 984 O ASP A 64 -9.875 -7.659 9.939 1.00 1.03 O ATOM 985 CB ASP A 64 -7.200 -8.498 10.482 1.00 61.55 C ATOM 986 CG ASP A 64 -8.075 -9.597 11.060 1.00 65.41 C ATOM 987 OD1 ASP A 64 -8.085 -10.713 10.498 1.00 11.22 O ATOM 988 OD2 ASP A 64 -8.735 -9.355 12.093 1.00 62.01 O ATOM 0 H ASP A 64 -6.253 -7.543 7.604 1.00 32.54 H new ATOM 0 HA ASP A 64 -7.772 -8.935 8.466 1.00 41.24 H new ATOM 0 HB2 ASP A 64 -6.170 -8.851 10.428 1.00 61.55 H new ATOM 0 HB3 ASP A 64 -7.209 -7.642 11.156 1.00 61.55 H new ATOM 993 N SER A 65 -9.136 -6.301 8.289 1.00 73.05 N ATOM 994 CA SER A 65 -10.382 -5.556 8.095 1.00 54.44 C ATOM 995 C SER A 65 -10.651 -4.533 9.208 1.00 10.03 C ATOM 996 O SER A 65 -11.084 -3.415 8.923 1.00 3.45 O ATOM 997 CB SER A 65 -11.572 -6.511 7.943 1.00 23.31 C ATOM 998 OG SER A 65 -11.330 -7.462 6.916 1.00 63.43 O ATOM 0 H SER A 65 -8.371 -5.967 7.703 1.00 73.05 H new ATOM 0 HA SER A 65 -10.260 -4.990 7.172 1.00 54.44 H new ATOM 0 HB2 SER A 65 -11.753 -7.026 8.886 1.00 23.31 H new ATOM 0 HB3 SER A 65 -12.473 -5.942 7.713 1.00 23.31 H new ATOM 0 HG SER A 65 -12.101 -8.062 6.837 1.00 63.43 H new ATOM 1004 N GLY A 66 -10.391 -4.893 10.463 1.00 5.11 N ATOM 1005 CA GLY A 66 -10.761 -4.006 11.557 1.00 21.35 C ATOM 1006 C GLY A 66 -9.665 -3.783 12.586 1.00 3.34 C ATOM 1007 O GLY A 66 -9.934 -3.247 13.662 1.00 3.41 O ATOM 0 H GLY A 66 -9.940 -5.765 10.740 1.00 5.11 H new ATOM 0 HA2 GLY A 66 -11.054 -3.042 11.143 1.00 21.35 H new ATOM 0 HA3 GLY A 66 -11.636 -4.416 12.060 1.00 21.35 H new ATOM 1011 N SER A 67 -8.438 -4.171 12.274 1.00 41.02 N ATOM 1012 CA SER A 67 -7.337 -3.993 13.211 1.00 1.42 C ATOM 1013 C SER A 67 -6.252 -3.104 12.613 1.00 21.53 C ATOM 1014 O SER A 67 -5.922 -3.224 11.439 1.00 20.23 O ATOM 1015 CB SER A 67 -6.745 -5.352 13.598 1.00 53.34 C ATOM 1016 OG SER A 67 -7.735 -6.197 14.165 1.00 61.44 O ATOM 0 H SER A 67 -8.180 -4.607 11.389 1.00 41.02 H new ATOM 0 HA SER A 67 -7.728 -3.506 14.105 1.00 1.42 H new ATOM 0 HB2 SER A 67 -6.316 -5.829 12.717 1.00 53.34 H new ATOM 0 HB3 SER A 67 -5.933 -5.209 14.311 1.00 53.34 H new ATOM 0 HG SER A 67 -7.333 -7.059 14.402 1.00 61.44 H new ATOM 1022 N LYS A 68 -5.712 -2.197 13.414 1.00 2.35 N ATOM 1023 CA LYS A 68 -4.621 -1.347 12.959 1.00 74.32 C ATOM 1024 C LYS A 68 -3.290 -1.993 13.310 1.00 73.53 C ATOM 1025 O LYS A 68 -3.074 -2.427 14.443 1.00 10.15 O ATOM 1026 CB LYS A 68 -4.735 0.058 13.563 1.00 11.22 C ATOM 1027 CG LYS A 68 -4.733 0.091 15.082 1.00 74.32 C ATOM 1028 CD LYS A 68 -5.151 1.452 15.612 1.00 54.43 C ATOM 1029 CE LYS A 68 -6.582 1.785 15.216 1.00 11.13 C ATOM 1030 NZ LYS A 68 -7.037 3.075 15.795 1.00 21.34 N ATOM 0 H LYS A 68 -6.009 -2.031 14.376 1.00 2.35 H new ATOM 0 HA LYS A 68 -4.681 -1.240 11.876 1.00 74.32 H new ATOM 0 HB2 LYS A 68 -3.907 0.665 13.198 1.00 11.22 H new ATOM 0 HB3 LYS A 68 -5.654 0.521 13.203 1.00 11.22 H new ATOM 0 HG2 LYS A 68 -5.410 -0.673 15.464 1.00 74.32 H new ATOM 0 HG3 LYS A 68 -3.737 -0.153 15.451 1.00 74.32 H new ATOM 0 HD2 LYS A 68 -5.060 1.465 16.698 1.00 54.43 H new ATOM 0 HD3 LYS A 68 -4.477 2.217 15.226 1.00 54.43 H new ATOM 0 HE2 LYS A 68 -6.656 1.830 14.129 1.00 11.13 H new ATOM 0 HE3 LYS A 68 -7.245 0.986 15.548 1.00 11.13 H new ATOM 0 HZ1 LYS A 68 -8.016 3.262 15.500 1.00 21.34 H new ATOM 0 HZ2 LYS A 68 -6.992 3.025 16.833 1.00 21.34 H new ATOM 0 HZ3 LYS A 68 -6.421 3.843 15.459 1.00 21.34 H new ATOM 1044 N VAL A 69 -2.411 -2.090 12.328 1.00 34.32 N ATOM 1045 CA VAL A 69 -1.145 -2.786 12.513 1.00 55.32 C ATOM 1046 C VAL A 69 0.042 -1.875 12.224 1.00 73.33 C ATOM 1047 O VAL A 69 1.172 -2.340 12.071 1.00 0.34 O ATOM 1048 CB VAL A 69 -1.061 -4.042 11.621 1.00 1.22 C ATOM 1049 CG1 VAL A 69 -2.142 -5.040 12.000 1.00 63.52 C ATOM 1050 CG2 VAL A 69 -1.176 -3.665 10.155 1.00 41.10 C ATOM 0 H VAL A 69 -2.548 -1.698 11.396 1.00 34.32 H new ATOM 0 HA VAL A 69 -1.103 -3.092 13.558 1.00 55.32 H new ATOM 0 HB VAL A 69 -0.090 -4.510 11.780 1.00 1.22 H new ATOM 0 HG11 VAL A 69 -2.066 -5.919 11.360 1.00 63.52 H new ATOM 0 HG12 VAL A 69 -2.014 -5.337 13.041 1.00 63.52 H new ATOM 0 HG13 VAL A 69 -3.122 -4.581 11.872 1.00 63.52 H new ATOM 0 HG21 VAL A 69 -1.114 -4.564 9.542 1.00 41.10 H new ATOM 0 HG22 VAL A 69 -2.132 -3.171 9.980 1.00 41.10 H new ATOM 0 HG23 VAL A 69 -0.364 -2.988 9.889 1.00 41.10 H new ATOM 1060 N ALA A 70 -0.212 -0.572 12.186 1.00 12.11 N ATOM 1061 CA ALA A 70 0.837 0.399 11.903 1.00 64.45 C ATOM 1062 C ALA A 70 1.691 0.659 13.146 1.00 45.53 C ATOM 1063 O ALA A 70 1.763 1.782 13.647 1.00 21.14 O ATOM 1064 CB ALA A 70 0.234 1.694 11.377 1.00 1.35 C ATOM 0 H ALA A 70 -1.133 -0.165 12.347 1.00 12.11 H new ATOM 0 HA ALA A 70 1.488 -0.014 11.132 1.00 64.45 H new ATOM 0 HB1 ALA A 70 1.031 2.409 11.171 1.00 1.35 H new ATOM 0 HB2 ALA A 70 -0.319 1.492 10.460 1.00 1.35 H new ATOM 0 HB3 ALA A 70 -0.442 2.110 12.124 1.00 1.35 H new ATOM 1070 N VAL A 71 2.322 -0.398 13.642 1.00 70.14 N ATOM 1071 CA VAL A 71 3.190 -0.301 14.806 1.00 31.53 C ATOM 1072 C VAL A 71 4.653 -0.193 14.369 1.00 23.24 C ATOM 1073 O VAL A 71 5.532 0.169 15.157 1.00 41.21 O ATOM 1074 CB VAL A 71 2.990 -1.523 15.738 1.00 50.11 C ATOM 1075 CG1 VAL A 71 3.409 -2.814 15.048 1.00 55.01 C ATOM 1076 CG2 VAL A 71 3.733 -1.342 17.052 1.00 25.45 C ATOM 0 H VAL A 71 2.247 -1.338 13.252 1.00 70.14 H new ATOM 0 HA VAL A 71 2.926 0.599 15.361 1.00 31.53 H new ATOM 0 HB VAL A 71 1.926 -1.594 15.965 1.00 50.11 H new ATOM 0 HG11 VAL A 71 3.258 -3.654 15.726 1.00 55.01 H new ATOM 0 HG12 VAL A 71 2.808 -2.959 14.151 1.00 55.01 H new ATOM 0 HG13 VAL A 71 4.462 -2.754 14.773 1.00 55.01 H new ATOM 0 HG21 VAL A 71 3.573 -2.216 17.684 1.00 25.45 H new ATOM 0 HG22 VAL A 71 4.799 -1.227 16.855 1.00 25.45 H new ATOM 0 HG23 VAL A 71 3.361 -0.453 17.561 1.00 25.45 H new ATOM 1086 N LEU A 72 4.892 -0.498 13.094 1.00 51.42 N ATOM 1087 CA LEU A 72 6.227 -0.429 12.496 1.00 72.34 C ATOM 1088 C LEU A 72 7.220 -1.340 13.217 1.00 41.11 C ATOM 1089 O LEU A 72 8.099 -0.883 13.946 1.00 71.32 O ATOM 1090 CB LEU A 72 6.758 1.015 12.444 1.00 64.25 C ATOM 1091 CG LEU A 72 6.197 1.893 11.314 1.00 0.52 C ATOM 1092 CD1 LEU A 72 6.379 1.214 9.964 1.00 71.04 C ATOM 1093 CD2 LEU A 72 4.733 2.238 11.555 1.00 40.21 C ATOM 0 H LEU A 72 4.165 -0.800 12.445 1.00 51.42 H new ATOM 0 HA LEU A 72 6.126 -0.786 11.471 1.00 72.34 H new ATOM 0 HB2 LEU A 72 6.539 1.497 13.397 1.00 64.25 H new ATOM 0 HB3 LEU A 72 7.843 0.980 12.347 1.00 64.25 H new ATOM 0 HG LEU A 72 6.760 2.827 11.306 1.00 0.52 H new ATOM 0 HD11 LEU A 72 5.975 1.852 9.178 1.00 71.04 H new ATOM 0 HD12 LEU A 72 7.440 1.043 9.783 1.00 71.04 H new ATOM 0 HD13 LEU A 72 5.852 0.260 9.963 1.00 71.04 H new ATOM 0 HD21 LEU A 72 4.366 2.860 10.738 1.00 40.21 H new ATOM 0 HD22 LEU A 72 4.146 1.321 11.604 1.00 40.21 H new ATOM 0 HD23 LEU A 72 4.637 2.781 12.495 1.00 40.21 H new ATOM 1105 N SER A 73 7.047 -2.635 13.021 1.00 60.04 N ATOM 1106 CA SER A 73 7.983 -3.628 13.526 1.00 50.13 C ATOM 1107 C SER A 73 8.277 -4.612 12.409 1.00 54.53 C ATOM 1108 O SER A 73 8.791 -5.710 12.623 1.00 64.41 O ATOM 1109 CB SER A 73 7.383 -4.344 14.741 1.00 23.44 C ATOM 1110 OG SER A 73 6.058 -4.796 14.481 1.00 32.35 O ATOM 0 H SER A 73 6.257 -3.029 12.509 1.00 60.04 H new ATOM 0 HA SER A 73 8.909 -3.151 13.846 1.00 50.13 H new ATOM 0 HB2 SER A 73 8.011 -5.193 15.011 1.00 23.44 H new ATOM 0 HB3 SER A 73 7.376 -3.668 15.596 1.00 23.44 H new ATOM 0 HG SER A 73 5.882 -4.757 13.518 1.00 32.35 H new ATOM 1116 N ASP A 74 7.968 -4.168 11.205 1.00 53.21 N ATOM 1117 CA ASP A 74 7.872 -5.037 10.046 1.00 0.03 C ATOM 1118 C ASP A 74 8.272 -4.288 8.785 1.00 4.51 C ATOM 1119 O ASP A 74 7.919 -4.683 7.675 1.00 10.44 O ATOM 1120 CB ASP A 74 6.432 -5.541 9.937 1.00 32.33 C ATOM 1121 CG ASP A 74 5.449 -4.573 10.574 1.00 0.35 C ATOM 1122 OD1 ASP A 74 5.046 -3.601 9.911 1.00 51.10 O ATOM 1123 OD2 ASP A 74 5.126 -4.757 11.774 1.00 12.40 O ATOM 0 H ASP A 74 7.775 -3.187 11.002 1.00 53.21 H new ATOM 0 HA ASP A 74 8.551 -5.882 10.160 1.00 0.03 H new ATOM 0 HB2 ASP A 74 6.175 -5.683 8.887 1.00 32.33 H new ATOM 0 HB3 ASP A 74 6.349 -6.514 10.420 1.00 32.33 H new ATOM 1128 N ASP A 75 9.062 -3.240 8.971 1.00 55.12 N ATOM 1129 CA ASP A 75 9.461 -2.354 7.881 1.00 24.12 C ATOM 1130 C ASP A 75 10.234 -3.108 6.797 1.00 23.25 C ATOM 1131 O ASP A 75 10.118 -2.801 5.614 1.00 45.43 O ATOM 1132 CB ASP A 75 10.323 -1.213 8.425 1.00 23.43 C ATOM 1133 CG ASP A 75 11.627 -1.715 9.017 1.00 63.34 C ATOM 1134 OD1 ASP A 75 11.602 -2.245 10.148 1.00 4.13 O ATOM 1135 OD2 ASP A 75 12.673 -1.607 8.351 1.00 52.40 O ATOM 0 H ASP A 75 9.445 -2.978 9.879 1.00 55.12 H new ATOM 0 HA ASP A 75 8.554 -1.950 7.432 1.00 24.12 H new ATOM 0 HB2 ASP A 75 10.538 -0.507 7.623 1.00 23.43 H new ATOM 0 HB3 ASP A 75 9.765 -0.669 9.187 1.00 23.43 H new ATOM 1140 N SER A 76 11.017 -4.093 7.206 1.00 64.43 N ATOM 1141 CA SER A 76 11.819 -4.865 6.270 1.00 72.12 C ATOM 1142 C SER A 76 11.535 -6.353 6.441 1.00 11.04 C ATOM 1143 O SER A 76 12.341 -7.202 6.054 1.00 52.23 O ATOM 1144 CB SER A 76 13.303 -4.578 6.496 1.00 54.52 C ATOM 1145 OG SER A 76 13.577 -3.187 6.407 1.00 4.41 O ATOM 0 H SER A 76 11.115 -4.377 8.181 1.00 64.43 H new ATOM 0 HA SER A 76 11.556 -4.575 5.253 1.00 72.12 H new ATOM 0 HB2 SER A 76 13.602 -4.948 7.477 1.00 54.52 H new ATOM 0 HB3 SER A 76 13.897 -5.116 5.757 1.00 54.52 H new ATOM 0 HG SER A 76 13.392 -2.761 7.270 1.00 4.41 H new ATOM 1151 N ARG A 77 10.377 -6.660 7.012 1.00 12.11 N ATOM 1152 CA ARG A 77 9.995 -8.037 7.289 1.00 31.42 C ATOM 1153 C ARG A 77 9.278 -8.646 6.096 1.00 11.44 C ATOM 1154 O ARG A 77 8.407 -8.015 5.496 1.00 43.32 O ATOM 1155 CB ARG A 77 9.096 -8.100 8.526 1.00 13.30 C ATOM 1156 CG ARG A 77 9.817 -7.744 9.814 1.00 63.14 C ATOM 1157 CD ARG A 77 10.792 -8.830 10.229 1.00 5.03 C ATOM 1158 NE ARG A 77 10.103 -10.039 10.667 1.00 43.11 N ATOM 1159 CZ ARG A 77 10.717 -11.190 10.924 1.00 41.23 C ATOM 1160 NH1 ARG A 77 12.013 -11.321 10.675 1.00 72.43 N ATOM 1161 NH2 ARG A 77 10.031 -12.221 11.396 1.00 64.43 N ATOM 0 H ARG A 77 9.683 -5.968 7.294 1.00 12.11 H new ATOM 0 HA ARG A 77 10.902 -8.611 7.479 1.00 31.42 H new ATOM 0 HB2 ARG A 77 8.255 -7.421 8.390 1.00 13.30 H new ATOM 0 HB3 ARG A 77 8.683 -9.105 8.615 1.00 13.30 H new ATOM 0 HG2 ARG A 77 10.353 -6.804 9.683 1.00 63.14 H new ATOM 0 HG3 ARG A 77 9.087 -7.587 10.608 1.00 63.14 H new ATOM 0 HD2 ARG A 77 11.448 -9.069 9.392 1.00 5.03 H new ATOM 0 HD3 ARG A 77 11.426 -8.461 11.035 1.00 5.03 H new ATOM 0 HE ARG A 77 9.090 -9.999 10.783 1.00 43.11 H new ATOM 0 HH11 ARG A 77 12.539 -10.539 10.286 1.00 72.43 H new ATOM 0 HH12 ARG A 77 12.484 -12.204 10.872 1.00 72.43 H new ATOM 0 HH21 ARG A 77 9.029 -12.133 11.563 1.00 64.43 H new ATOM 0 HH22 ARG A 77 10.505 -13.102 11.592 1.00 64.43 H new ATOM 1175 N PRO A 78 9.652 -9.877 5.725 1.00 34.21 N ATOM 1176 CA PRO A 78 9.012 -10.589 4.623 1.00 2.40 C ATOM 1177 C PRO A 78 7.554 -10.918 4.935 1.00 35.02 C ATOM 1178 O PRO A 78 7.259 -11.696 5.844 1.00 3.12 O ATOM 1179 CB PRO A 78 9.838 -11.870 4.482 1.00 23.22 C ATOM 1180 CG PRO A 78 10.501 -12.050 5.802 1.00 51.25 C ATOM 1181 CD PRO A 78 10.731 -10.667 6.344 1.00 51.24 C ATOM 0 HA PRO A 78 8.988 -9.994 3.710 1.00 2.40 H new ATOM 0 HB2 PRO A 78 9.204 -12.723 4.239 1.00 23.22 H new ATOM 0 HB3 PRO A 78 10.572 -11.780 3.681 1.00 23.22 H new ATOM 0 HG2 PRO A 78 9.875 -12.634 6.476 1.00 51.25 H new ATOM 0 HG3 PRO A 78 11.443 -12.588 5.695 1.00 51.25 H new ATOM 0 HD2 PRO A 78 10.671 -10.646 7.432 1.00 51.24 H new ATOM 0 HD3 PRO A 78 11.715 -10.287 6.071 1.00 51.24 H new ATOM 1189 N LEU A 79 6.647 -10.313 4.175 1.00 35.42 N ATOM 1190 CA LEU A 79 5.209 -10.497 4.376 1.00 75.14 C ATOM 1191 C LEU A 79 4.790 -11.955 4.192 1.00 51.22 C ATOM 1192 O LEU A 79 3.703 -12.351 4.603 1.00 5.23 O ATOM 1193 CB LEU A 79 4.425 -9.608 3.409 1.00 11.33 C ATOM 1194 CG LEU A 79 4.671 -8.105 3.558 1.00 21.11 C ATOM 1195 CD1 LEU A 79 3.879 -7.332 2.515 1.00 61.01 C ATOM 1196 CD2 LEU A 79 4.302 -7.636 4.959 1.00 34.43 C ATOM 0 H LEU A 79 6.883 -9.685 3.407 1.00 35.42 H new ATOM 0 HA LEU A 79 4.983 -10.212 5.403 1.00 75.14 H new ATOM 0 HB2 LEU A 79 4.674 -9.901 2.389 1.00 11.33 H new ATOM 0 HB3 LEU A 79 3.361 -9.801 3.545 1.00 11.33 H new ATOM 0 HG LEU A 79 5.733 -7.914 3.401 1.00 21.11 H new ATOM 0 HD11 LEU A 79 4.065 -6.265 2.634 1.00 61.01 H new ATOM 0 HD12 LEU A 79 4.188 -7.645 1.518 1.00 61.01 H new ATOM 0 HD13 LEU A 79 2.815 -7.532 2.644 1.00 61.01 H new ATOM 0 HD21 LEU A 79 4.484 -6.565 5.044 1.00 34.43 H new ATOM 0 HD22 LEU A 79 3.248 -7.840 5.145 1.00 34.43 H new ATOM 0 HD23 LEU A 79 4.909 -8.167 5.692 1.00 34.43 H new ATOM 1208 N GLY A 80 5.653 -12.747 3.573 1.00 20.44 N ATOM 1209 CA GLY A 80 5.368 -14.155 3.385 1.00 24.44 C ATOM 1210 C GLY A 80 5.434 -14.927 4.689 1.00 2.11 C ATOM 1211 O GLY A 80 4.667 -15.864 4.901 1.00 64.01 O ATOM 0 H GLY A 80 6.549 -12.438 3.196 1.00 20.44 H new ATOM 0 HA2 GLY A 80 4.377 -14.269 2.946 1.00 24.44 H new ATOM 0 HA3 GLY A 80 6.081 -14.578 2.677 1.00 24.44 H new ATOM 1215 N PHE A 81 6.336 -14.514 5.572 1.00 73.02 N ATOM 1216 CA PHE A 81 6.514 -15.171 6.862 1.00 33.14 C ATOM 1217 C PHE A 81 5.332 -14.862 7.780 1.00 23.22 C ATOM 1218 O PHE A 81 5.009 -15.629 8.691 1.00 31.42 O ATOM 1219 CB PHE A 81 7.830 -14.713 7.504 1.00 22.40 C ATOM 1220 CG PHE A 81 8.248 -15.521 8.697 1.00 64.34 C ATOM 1221 CD1 PHE A 81 8.874 -16.746 8.533 1.00 22.22 C ATOM 1222 CD2 PHE A 81 8.019 -15.055 9.981 1.00 51.12 C ATOM 1223 CE1 PHE A 81 9.266 -17.489 9.626 1.00 54.35 C ATOM 1224 CE2 PHE A 81 8.407 -15.796 11.078 1.00 34.42 C ATOM 1225 CZ PHE A 81 9.031 -17.013 10.900 1.00 5.02 C ATOM 0 H PHE A 81 6.959 -13.722 5.417 1.00 73.02 H new ATOM 0 HA PHE A 81 6.557 -16.249 6.709 1.00 33.14 H new ATOM 0 HB2 PHE A 81 8.621 -14.757 6.755 1.00 22.40 H new ATOM 0 HB3 PHE A 81 7.731 -13.669 7.803 1.00 22.40 H new ATOM 0 HD1 PHE A 81 9.057 -17.123 7.538 1.00 22.22 H new ATOM 0 HD2 PHE A 81 7.532 -14.102 10.125 1.00 51.12 H new ATOM 0 HE1 PHE A 81 9.756 -18.441 9.486 1.00 54.35 H new ATOM 0 HE2 PHE A 81 8.222 -15.424 12.075 1.00 34.42 H new ATOM 0 HZ PHE A 81 9.336 -17.594 11.758 1.00 5.02 H new ATOM 1235 N PHE A 82 4.681 -13.738 7.516 1.00 15.11 N ATOM 1236 CA PHE A 82 3.511 -13.324 8.278 1.00 21.04 C ATOM 1237 C PHE A 82 2.238 -13.852 7.618 1.00 21.21 C ATOM 1238 O PHE A 82 1.135 -13.682 8.143 1.00 62.43 O ATOM 1239 CB PHE A 82 3.478 -11.791 8.379 1.00 23.24 C ATOM 1240 CG PHE A 82 2.288 -11.248 9.124 1.00 60.14 C ATOM 1241 CD1 PHE A 82 2.165 -11.429 10.493 1.00 20.22 C ATOM 1242 CD2 PHE A 82 1.285 -10.565 8.451 1.00 1.05 C ATOM 1243 CE1 PHE A 82 1.067 -10.939 11.175 1.00 24.02 C ATOM 1244 CE2 PHE A 82 0.186 -10.072 9.129 1.00 21.23 C ATOM 1245 CZ PHE A 82 0.077 -10.262 10.492 1.00 63.30 C ATOM 0 H PHE A 82 4.946 -13.091 6.773 1.00 15.11 H new ATOM 0 HA PHE A 82 3.569 -13.740 9.284 1.00 21.04 H new ATOM 0 HB2 PHE A 82 4.388 -11.451 8.873 1.00 23.24 H new ATOM 0 HB3 PHE A 82 3.485 -11.371 7.373 1.00 23.24 H new ATOM 0 HD1 PHE A 82 2.936 -11.959 11.033 1.00 20.22 H new ATOM 0 HD2 PHE A 82 1.364 -10.417 7.384 1.00 1.05 H new ATOM 0 HE1 PHE A 82 0.984 -11.086 12.242 1.00 24.02 H new ATOM 0 HE2 PHE A 82 -0.586 -9.539 8.594 1.00 21.23 H new ATOM 0 HZ PHE A 82 -0.782 -9.881 11.024 1.00 63.30 H new ATOM 1255 N SER A 83 2.416 -14.524 6.477 1.00 23.14 N ATOM 1256 CA SER A 83 1.305 -15.006 5.658 1.00 3.44 C ATOM 1257 C SER A 83 0.581 -13.824 5.005 1.00 14.03 C ATOM 1258 O SER A 83 -0.069 -13.024 5.682 1.00 54.03 O ATOM 1259 CB SER A 83 0.333 -15.859 6.489 1.00 53.22 C ATOM 1260 OG SER A 83 1.019 -16.898 7.170 1.00 20.02 O ATOM 0 H SER A 83 3.336 -14.748 6.097 1.00 23.14 H new ATOM 0 HA SER A 83 1.708 -15.643 4.871 1.00 3.44 H new ATOM 0 HB2 SER A 83 -0.185 -15.227 7.211 1.00 53.22 H new ATOM 0 HB3 SER A 83 -0.428 -16.288 5.837 1.00 53.22 H new ATOM 0 HG SER A 83 0.379 -17.425 7.693 1.00 20.02 H new ATOM 1266 N PRO A 84 0.699 -13.696 3.675 1.00 51.13 N ATOM 1267 CA PRO A 84 0.158 -12.551 2.934 1.00 35.31 C ATOM 1268 C PRO A 84 -1.353 -12.386 3.100 1.00 73.22 C ATOM 1269 O PRO A 84 -2.104 -13.363 3.130 1.00 44.42 O ATOM 1270 CB PRO A 84 0.506 -12.862 1.471 1.00 24.14 C ATOM 1271 CG PRO A 84 0.788 -14.324 1.440 1.00 70.03 C ATOM 1272 CD PRO A 84 1.360 -14.662 2.784 1.00 55.54 C ATOM 0 HA PRO A 84 0.579 -11.614 3.297 1.00 35.31 H new ATOM 0 HB2 PRO A 84 -0.319 -12.606 0.807 1.00 24.14 H new ATOM 0 HB3 PRO A 84 1.371 -12.287 1.141 1.00 24.14 H new ATOM 0 HG2 PRO A 84 -0.122 -14.893 1.249 1.00 70.03 H new ATOM 0 HG3 PRO A 84 1.491 -14.569 0.644 1.00 70.03 H new ATOM 0 HD2 PRO A 84 1.140 -15.691 3.069 1.00 55.54 H new ATOM 0 HD3 PRO A 84 2.444 -14.551 2.801 1.00 55.54 H new ATOM 1280 N PHE A 85 -1.781 -11.139 3.228 1.00 5.12 N ATOM 1281 CA PHE A 85 -3.197 -10.819 3.293 1.00 52.10 C ATOM 1282 C PHE A 85 -3.648 -10.299 1.932 1.00 45.11 C ATOM 1283 O PHE A 85 -2.903 -9.588 1.260 1.00 55.13 O ATOM 1284 CB PHE A 85 -3.458 -9.781 4.391 1.00 31.33 C ATOM 1285 CG PHE A 85 -4.912 -9.612 4.739 1.00 50.31 C ATOM 1286 CD1 PHE A 85 -5.652 -10.680 5.219 1.00 41.43 C ATOM 1287 CD2 PHE A 85 -5.535 -8.383 4.596 1.00 15.50 C ATOM 1288 CE1 PHE A 85 -6.984 -10.527 5.551 1.00 42.32 C ATOM 1289 CE2 PHE A 85 -6.869 -8.225 4.925 1.00 43.41 C ATOM 1290 CZ PHE A 85 -7.593 -9.298 5.402 1.00 34.10 C ATOM 0 H PHE A 85 -1.164 -10.329 3.289 1.00 5.12 H new ATOM 0 HA PHE A 85 -3.768 -11.714 3.541 1.00 52.10 H new ATOM 0 HB2 PHE A 85 -2.911 -10.071 5.288 1.00 31.33 H new ATOM 0 HB3 PHE A 85 -3.057 -8.819 4.070 1.00 31.33 H new ATOM 0 HD1 PHE A 85 -5.181 -11.645 5.335 1.00 41.43 H new ATOM 0 HD2 PHE A 85 -4.973 -7.539 4.224 1.00 15.50 H new ATOM 0 HE1 PHE A 85 -7.548 -11.368 5.927 1.00 42.32 H new ATOM 0 HE2 PHE A 85 -7.344 -7.262 4.809 1.00 43.41 H new ATOM 0 HZ PHE A 85 -8.635 -9.176 5.658 1.00 34.10 H new ATOM 1300 N ASP A 86 -4.854 -10.652 1.523 1.00 61.34 N ATOM 1301 CA ASP A 86 -5.311 -10.352 0.168 1.00 44.00 C ATOM 1302 C ASP A 86 -5.998 -8.989 0.073 1.00 64.43 C ATOM 1303 O ASP A 86 -6.586 -8.662 -0.956 1.00 5.23 O ATOM 1304 CB ASP A 86 -6.270 -11.443 -0.324 1.00 5.21 C ATOM 1305 CG ASP A 86 -7.562 -11.479 0.462 1.00 64.32 C ATOM 1306 OD1 ASP A 86 -7.564 -12.030 1.583 1.00 43.33 O ATOM 1307 OD2 ASP A 86 -8.585 -10.962 -0.039 1.00 42.23 O ATOM 0 H ASP A 86 -5.535 -11.144 2.102 1.00 61.34 H new ATOM 0 HA ASP A 86 -4.425 -10.322 -0.466 1.00 44.00 H new ATOM 0 HB2 ASP A 86 -6.494 -11.276 -1.378 1.00 5.21 H new ATOM 0 HB3 ASP A 86 -5.778 -12.413 -0.252 1.00 5.21 H new ATOM 1312 N GLY A 87 -5.915 -8.188 1.127 1.00 12.44 N ATOM 1313 CA GLY A 87 -6.569 -6.892 1.102 1.00 13.13 C ATOM 1314 C GLY A 87 -6.075 -5.945 2.176 1.00 30.12 C ATOM 1315 O GLY A 87 -6.817 -5.618 3.101 1.00 31.15 O ATOM 0 H GLY A 87 -5.414 -8.407 1.988 1.00 12.44 H new ATOM 0 HA2 GLY A 87 -6.413 -6.434 0.125 1.00 13.13 H new ATOM 0 HA3 GLY A 87 -7.643 -7.034 1.220 1.00 13.13 H new ATOM 1319 N PHE A 88 -4.824 -5.510 2.059 1.00 14.45 N ATOM 1320 CA PHE A 88 -4.275 -4.524 2.987 1.00 64.54 C ATOM 1321 C PHE A 88 -5.008 -3.196 2.819 1.00 22.21 C ATOM 1322 O PHE A 88 -5.229 -2.736 1.694 1.00 44.54 O ATOM 1323 CB PHE A 88 -2.777 -4.312 2.750 1.00 60.14 C ATOM 1324 CG PHE A 88 -1.928 -5.539 2.932 1.00 61.41 C ATOM 1325 CD1 PHE A 88 -1.693 -6.401 1.873 1.00 63.42 C ATOM 1326 CD2 PHE A 88 -1.351 -5.823 4.159 1.00 52.55 C ATOM 1327 CE1 PHE A 88 -0.902 -7.520 2.035 1.00 13.34 C ATOM 1328 CE2 PHE A 88 -0.556 -6.941 4.327 1.00 30.34 C ATOM 1329 CZ PHE A 88 -0.334 -7.793 3.264 1.00 54.55 C ATOM 0 H PHE A 88 -4.175 -5.821 1.337 1.00 14.45 H new ATOM 0 HA PHE A 88 -4.413 -4.900 4.001 1.00 64.54 H new ATOM 0 HB2 PHE A 88 -2.634 -3.936 1.737 1.00 60.14 H new ATOM 0 HB3 PHE A 88 -2.422 -3.538 3.431 1.00 60.14 H new ATOM 0 HD1 PHE A 88 -2.134 -6.195 0.909 1.00 63.42 H new ATOM 0 HD2 PHE A 88 -1.525 -5.162 4.995 1.00 52.55 H new ATOM 0 HE1 PHE A 88 -0.727 -8.183 1.200 1.00 13.34 H new ATOM 0 HE2 PHE A 88 -0.109 -7.148 5.288 1.00 30.34 H new ATOM 0 HZ PHE A 88 0.282 -8.671 3.393 1.00 54.55 H new ATOM 1339 N ARG A 89 -5.392 -2.584 3.930 1.00 42.34 N ATOM 1340 CA ARG A 89 -6.111 -1.319 3.889 1.00 74.24 C ATOM 1341 C ARG A 89 -5.208 -0.153 4.273 1.00 72.51 C ATOM 1342 O ARG A 89 -4.942 0.083 5.451 1.00 51.42 O ATOM 1343 CB ARG A 89 -7.342 -1.366 4.800 1.00 40.33 C ATOM 1344 CG ARG A 89 -8.507 -2.143 4.205 1.00 44.40 C ATOM 1345 CD ARG A 89 -9.045 -1.444 2.967 1.00 64.22 C ATOM 1346 NE ARG A 89 -10.154 -2.166 2.345 1.00 73.54 N ATOM 1347 CZ ARG A 89 -10.933 -1.649 1.393 1.00 33.44 C ATOM 1348 NH1 ARG A 89 -10.735 -0.398 0.984 1.00 54.21 N ATOM 1349 NH2 ARG A 89 -11.905 -2.377 0.853 1.00 30.31 N ATOM 0 H ARG A 89 -5.218 -2.942 4.869 1.00 42.34 H new ATOM 0 HA ARG A 89 -6.443 -1.161 2.863 1.00 74.24 H new ATOM 0 HB2 ARG A 89 -7.063 -1.817 5.752 1.00 40.33 H new ATOM 0 HB3 ARG A 89 -7.666 -0.347 5.013 1.00 40.33 H new ATOM 0 HG2 ARG A 89 -8.184 -3.152 3.947 1.00 44.40 H new ATOM 0 HG3 ARG A 89 -9.300 -2.242 4.946 1.00 44.40 H new ATOM 0 HD2 ARG A 89 -9.376 -0.441 3.237 1.00 64.22 H new ATOM 0 HD3 ARG A 89 -8.240 -1.329 2.241 1.00 64.22 H new ATOM 0 HE ARG A 89 -10.343 -3.119 2.656 1.00 73.54 H new ATOM 0 HH11 ARG A 89 -9.990 0.162 1.398 1.00 54.21 H new ATOM 0 HH12 ARG A 89 -11.328 0.001 0.256 1.00 54.21 H new ATOM 0 HH21 ARG A 89 -12.058 -3.336 1.166 1.00 30.31 H new ATOM 0 HH22 ARG A 89 -12.498 -1.977 0.126 1.00 30.31 H new ATOM 1363 N LEU A 90 -4.744 0.571 3.266 1.00 1.14 N ATOM 1364 CA LEU A 90 -3.864 1.714 3.475 1.00 14.31 C ATOM 1365 C LEU A 90 -4.674 2.998 3.568 1.00 5.22 C ATOM 1366 O LEU A 90 -5.031 3.590 2.545 1.00 71.23 O ATOM 1367 CB LEU A 90 -2.854 1.830 2.327 1.00 11.12 C ATOM 1368 CG LEU A 90 -1.831 0.699 2.231 1.00 25.24 C ATOM 1369 CD1 LEU A 90 -1.064 0.795 0.920 1.00 3.25 C ATOM 1370 CD2 LEU A 90 -0.872 0.753 3.414 1.00 42.41 C ATOM 0 H LEU A 90 -4.964 0.386 2.287 1.00 1.14 H new ATOM 0 HA LEU A 90 -3.326 1.561 4.411 1.00 14.31 H new ATOM 0 HB2 LEU A 90 -3.404 1.879 1.387 1.00 11.12 H new ATOM 0 HB3 LEU A 90 -2.318 2.773 2.433 1.00 11.12 H new ATOM 0 HG LEU A 90 -2.358 -0.255 2.256 1.00 25.24 H new ATOM 0 HD11 LEU A 90 -0.338 -0.016 0.863 1.00 3.25 H new ATOM 0 HD12 LEU A 90 -1.760 0.718 0.085 1.00 3.25 H new ATOM 0 HD13 LEU A 90 -0.544 1.752 0.872 1.00 3.25 H new ATOM 0 HD21 LEU A 90 -0.148 -0.058 3.333 1.00 42.41 H new ATOM 0 HD22 LEU A 90 -0.347 1.708 3.414 1.00 42.41 H new ATOM 0 HD23 LEU A 90 -1.433 0.647 4.342 1.00 42.41 H new ATOM 1382 N HIS A 91 -4.989 3.418 4.783 1.00 63.01 N ATOM 1383 CA HIS A 91 -5.717 4.661 4.974 1.00 34.13 C ATOM 1384 C HIS A 91 -4.736 5.815 5.121 1.00 71.13 C ATOM 1385 O HIS A 91 -4.151 6.016 6.183 1.00 50.13 O ATOM 1386 CB HIS A 91 -6.639 4.588 6.198 1.00 32.12 C ATOM 1387 CG HIS A 91 -7.626 5.716 6.261 1.00 62.00 C ATOM 1388 ND1 HIS A 91 -7.788 6.532 7.362 1.00 12.11 N ATOM 1389 CD2 HIS A 91 -8.517 6.154 5.340 1.00 42.31 C ATOM 1390 CE1 HIS A 91 -8.733 7.420 7.111 1.00 34.22 C ATOM 1391 NE2 HIS A 91 -9.190 7.213 5.891 1.00 54.22 N ATOM 0 H HIS A 91 -4.755 2.922 5.643 1.00 63.01 H new ATOM 0 HA HIS A 91 -6.343 4.827 4.097 1.00 34.13 H new ATOM 0 HB2 HIS A 91 -7.179 3.641 6.182 1.00 32.12 H new ATOM 0 HB3 HIS A 91 -6.032 4.594 7.103 1.00 32.12 H new ATOM 0 HD2 HIS A 91 -8.669 5.744 4.353 1.00 42.31 H new ATOM 0 HE1 HIS A 91 -9.074 8.187 7.791 1.00 34.22 H new ATOM 0 HE2 HIS A 91 -9.924 7.753 5.433 1.00 54.22 H new ATOM 1400 N ILE A 92 -4.553 6.555 4.042 1.00 2.52 N ATOM 1401 CA ILE A 92 -3.616 7.664 4.028 1.00 63.43 C ATOM 1402 C ILE A 92 -4.172 8.835 4.821 1.00 32.34 C ATOM 1403 O ILE A 92 -5.207 9.400 4.458 1.00 43.21 O ATOM 1404 CB ILE A 92 -3.314 8.134 2.589 1.00 14.32 C ATOM 1405 CG1 ILE A 92 -2.839 6.959 1.726 1.00 13.12 C ATOM 1406 CG2 ILE A 92 -2.270 9.246 2.600 1.00 44.30 C ATOM 1407 CD1 ILE A 92 -2.554 7.336 0.286 1.00 15.30 C ATOM 0 H ILE A 92 -5.044 6.407 3.160 1.00 2.52 H new ATOM 0 HA ILE A 92 -2.690 7.311 4.483 1.00 63.43 H new ATOM 0 HB ILE A 92 -4.233 8.527 2.155 1.00 14.32 H new ATOM 0 HG12 ILE A 92 -1.936 6.537 2.167 1.00 13.12 H new ATOM 0 HG13 ILE A 92 -3.598 6.177 1.744 1.00 13.12 H new ATOM 0 HG21 ILE A 92 -2.068 9.566 1.578 1.00 44.30 H new ATOM 0 HG22 ILE A 92 -2.645 10.091 3.178 1.00 44.30 H new ATOM 0 HG23 ILE A 92 -1.350 8.877 3.053 1.00 44.30 H new ATOM 0 HD11 ILE A 92 -2.223 6.454 -0.262 1.00 15.30 H new ATOM 0 HD12 ILE A 92 -3.461 7.730 -0.173 1.00 15.30 H new ATOM 0 HD13 ILE A 92 -1.773 8.096 0.257 1.00 15.30 H new ATOM 1419 N ILE A 93 -3.498 9.177 5.911 1.00 64.32 N ATOM 1420 CA ILE A 93 -3.873 10.331 6.707 1.00 55.13 C ATOM 1421 C ILE A 93 -3.502 11.599 5.956 1.00 74.44 C ATOM 1422 O ILE A 93 -2.379 12.088 6.043 1.00 12.25 O ATOM 1423 CB ILE A 93 -3.199 10.322 8.100 1.00 24.24 C ATOM 1424 CG1 ILE A 93 -3.637 9.087 8.894 1.00 2.32 C ATOM 1425 CG2 ILE A 93 -3.530 11.594 8.874 1.00 35.43 C ATOM 1426 CD1 ILE A 93 -5.129 9.025 9.141 1.00 22.42 C ATOM 0 H ILE A 93 -2.687 8.668 6.262 1.00 64.32 H new ATOM 0 HA ILE A 93 -4.950 10.293 6.871 1.00 55.13 H new ATOM 0 HB ILE A 93 -2.119 10.283 7.956 1.00 24.24 H new ATOM 0 HG12 ILE A 93 -3.328 8.191 8.356 1.00 2.32 H new ATOM 0 HG13 ILE A 93 -3.118 9.078 9.852 1.00 2.32 H new ATOM 0 HG21 ILE A 93 -3.044 11.563 9.849 1.00 35.43 H new ATOM 0 HG22 ILE A 93 -3.173 12.461 8.318 1.00 35.43 H new ATOM 0 HG23 ILE A 93 -4.609 11.668 9.008 1.00 35.43 H new ATOM 0 HD11 ILE A 93 -5.367 8.125 9.708 1.00 22.42 H new ATOM 0 HD12 ILE A 93 -5.441 9.903 9.706 1.00 22.42 H new ATOM 0 HD13 ILE A 93 -5.655 9.002 8.187 1.00 22.42 H new ATOM 1438 N ASP A 94 -4.442 12.099 5.178 1.00 4.21 N ATOM 1439 CA ASP A 94 -4.194 13.258 4.345 1.00 1.13 C ATOM 1440 C ASP A 94 -4.654 14.516 5.057 1.00 40.14 C ATOM 1441 O ASP A 94 -5.788 14.967 4.892 1.00 13.50 O ATOM 1442 CB ASP A 94 -4.908 13.106 3.002 1.00 51.10 C ATOM 1443 CG ASP A 94 -4.326 14.000 1.930 1.00 31.40 C ATOM 1444 OD1 ASP A 94 -3.317 13.603 1.310 1.00 50.10 O ATOM 1445 OD2 ASP A 94 -4.897 15.073 1.672 1.00 14.13 O ATOM 0 H ASP A 94 -5.386 11.720 5.106 1.00 4.21 H new ATOM 0 HA ASP A 94 -3.123 13.338 4.156 1.00 1.13 H new ATOM 0 HB2 ASP A 94 -4.846 12.067 2.677 1.00 51.10 H new ATOM 0 HB3 ASP A 94 -5.966 13.338 3.129 1.00 51.10 H new ATOM 1450 N LEU A 95 -3.786 15.033 5.910 1.00 62.34 N ATOM 1451 CA LEU A 95 -4.066 16.255 6.646 1.00 40.24 C ATOM 1452 C LEU A 95 -3.046 17.328 6.302 1.00 1.43 C ATOM 1453 O LEU A 95 -3.204 18.492 6.673 1.00 13.41 O ATOM 1454 CB LEU A 95 -4.048 15.989 8.155 1.00 60.13 C ATOM 1455 CG LEU A 95 -5.179 15.103 8.684 1.00 54.40 C ATOM 1456 CD1 LEU A 95 -4.977 14.817 10.163 1.00 40.25 C ATOM 1457 CD2 LEU A 95 -6.525 15.772 8.459 1.00 64.34 C ATOM 0 H LEU A 95 -2.874 14.622 6.111 1.00 62.34 H new ATOM 0 HA LEU A 95 -5.058 16.604 6.360 1.00 40.24 H new ATOM 0 HB2 LEU A 95 -3.096 15.525 8.413 1.00 60.13 H new ATOM 0 HB3 LEU A 95 -4.087 16.946 8.675 1.00 60.13 H new ATOM 0 HG LEU A 95 -5.163 14.159 8.139 1.00 54.40 H new ATOM 0 HD11 LEU A 95 -5.788 14.186 10.526 1.00 40.25 H new ATOM 0 HD12 LEU A 95 -4.026 14.304 10.308 1.00 40.25 H new ATOM 0 HD13 LEU A 95 -4.971 15.755 10.718 1.00 40.25 H new ATOM 0 HD21 LEU A 95 -7.319 15.130 8.840 1.00 64.34 H new ATOM 0 HD22 LEU A 95 -6.548 16.728 8.983 1.00 64.34 H new ATOM 0 HD23 LEU A 95 -6.674 15.939 7.392 1.00 64.34 H new ATOM 1469 N ASP A 96 -2.002 16.932 5.583 1.00 22.14 N ATOM 1470 CA ASP A 96 -0.924 17.845 5.233 1.00 75.01 C ATOM 1471 C ASP A 96 -1.385 18.828 4.162 1.00 64.31 C ATOM 1472 O ASP A 96 -1.792 18.422 3.073 1.00 31.00 O ATOM 1473 CB ASP A 96 0.295 17.063 4.743 1.00 23.13 C ATOM 1474 CG ASP A 96 1.544 17.919 4.687 1.00 75.55 C ATOM 1475 OD1 ASP A 96 1.800 18.547 3.644 1.00 33.12 O ATOM 1476 OD2 ASP A 96 2.277 17.967 5.700 1.00 35.21 O ATOM 0 H ASP A 96 -1.881 15.982 5.231 1.00 22.14 H new ATOM 0 HA ASP A 96 -0.644 18.408 6.124 1.00 75.01 H new ATOM 0 HB2 ASP A 96 0.469 16.214 5.404 1.00 23.13 H new ATOM 0 HB3 ASP A 96 0.090 16.659 3.752 1.00 23.13 H new ATOM 1481 N PRO A 97 -1.351 20.131 4.475 1.00 41.30 N ATOM 1482 CA PRO A 97 -1.808 21.188 3.564 1.00 43.40 C ATOM 1483 C PRO A 97 -0.950 21.286 2.303 1.00 52.53 C ATOM 1484 O PRO A 97 0.189 21.797 2.386 1.00 37.55 O ATOM 1485 CB PRO A 97 -1.685 22.470 4.399 1.00 53.15 C ATOM 1486 CG PRO A 97 -1.562 22.013 5.810 1.00 71.14 C ATOM 1487 CD PRO A 97 -0.873 20.683 5.749 1.00 75.33 C ATOM 1488 OXT PRO A 97 -1.418 20.854 1.230 1.00 37.55 O ATOM 0 HA PRO A 97 -2.819 20.998 3.204 1.00 43.40 H new ATOM 0 HB2 PRO A 97 -0.815 23.053 4.098 1.00 53.15 H new ATOM 0 HB3 PRO A 97 -2.558 23.109 4.268 1.00 53.15 H new ATOM 0 HG2 PRO A 97 -0.987 22.724 6.403 1.00 71.14 H new ATOM 0 HG3 PRO A 97 -2.542 21.925 6.279 1.00 71.14 H new ATOM 0 HD2 PRO A 97 0.212 20.788 5.763 1.00 75.33 H new ATOM 0 HD3 PRO A 97 -1.143 20.048 6.593 1.00 75.33 H new