USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 34 SER OG : rot 81:sc= 0.503 USER MOD Set 2.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 SER OG : rot -92:sc= 0.725 USER MOD Set 3.2: A 68 THR OG1 : rot -42:sc= 1.59 USER MOD Single : A 15 SER OG : rot 180:sc= -0.51 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0309 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -122:sc= 1.3 (180deg=0.0684) USER MOD Single : A 25 ASN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0455 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= -0.0219 (180deg=-0.191) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-1.7!) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0145) USER MOD Single : A 47 ASN :FLIP amide:sc= -2.43 F(o=-6.9!,f=-2.4) USER MOD Single : A 50 ASN : amide:sc= -1.33 K(o=-1.3,f=-8!) USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 1.19 (180deg=1.01) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00896) USER MOD Single : A 62 ASN : amide:sc= -2.94! C(o=-2.9!,f=-4.6!) USER MOD Single : A 64 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.005) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.584 (180deg=-1.24) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0179 F(o=-0.54,f=-0.018) USER MOD Single : A 76 TYR OH : rot -89:sc= 0.0988 USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= -0.0713 (180deg=-0.295) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 270 N GLU A 14 -5.037 -6.715 2.099 1.00 0.52 N ATOM 271 CA GLU A 14 -4.169 -5.778 1.433 1.00 0.50 C ATOM 272 C GLU A 14 -4.415 -4.357 1.918 1.00 0.33 C ATOM 273 O GLU A 14 -5.519 -4.003 2.334 1.00 0.37 O ATOM 274 CB GLU A 14 -4.378 -5.874 -0.077 1.00 0.68 C ATOM 275 CG GLU A 14 -5.780 -5.512 -0.551 1.00 0.54 C ATOM 276 CD GLU A 14 -6.859 -6.496 -0.131 1.00 1.00 C ATOM 277 OE1 GLU A 14 -6.977 -7.567 -0.757 1.00 1.37 O ATOM 278 OE2 GLU A 14 -7.589 -6.205 0.838 1.00 1.53 O ATOM 0 HA GLU A 14 -3.136 -6.031 1.671 1.00 0.50 H new ATOM 0 HB2 GLU A 14 -3.662 -5.218 -0.571 1.00 0.68 H new ATOM 0 HB3 GLU A 14 -4.153 -6.891 -0.397 1.00 0.68 H new ATOM 0 HG2 GLU A 14 -6.036 -4.525 -0.167 1.00 0.54 H new ATOM 0 HG3 GLU A 14 -5.775 -5.439 -1.639 1.00 0.54 H new ATOM 285 N SER A 15 -3.374 -3.552 1.864 1.00 0.29 N ATOM 286 CA SER A 15 -3.439 -2.193 2.356 1.00 0.26 C ATOM 287 C SER A 15 -3.343 -1.190 1.212 1.00 0.18 C ATOM 288 O SER A 15 -4.289 -0.456 0.956 1.00 0.24 O ATOM 289 CB SER A 15 -2.318 -1.971 3.374 1.00 0.39 C ATOM 290 OG SER A 15 -1.102 -2.543 2.916 1.00 1.38 O ATOM 0 H SER A 15 -2.467 -3.819 1.481 1.00 0.29 H new ATOM 0 HA SER A 15 -4.402 -2.037 2.843 1.00 0.26 H new ATOM 0 HB2 SER A 15 -2.181 -0.903 3.545 1.00 0.39 H new ATOM 0 HB3 SER A 15 -2.596 -2.414 4.331 1.00 0.39 H new ATOM 0 HG SER A 15 -0.398 -2.389 3.580 1.00 1.38 H new ATOM 296 N LEU A 16 -2.220 -1.214 0.494 1.00 0.15 N ATOM 297 CA LEU A 16 -1.962 -0.265 -0.595 1.00 0.12 C ATOM 298 C LEU A 16 -3.068 -0.310 -1.638 1.00 0.12 C ATOM 299 O LEU A 16 -3.640 0.717 -2.001 1.00 0.14 O ATOM 300 CB LEU A 16 -0.625 -0.564 -1.284 1.00 0.13 C ATOM 301 CG LEU A 16 0.653 -0.292 -0.479 1.00 0.14 C ATOM 302 CD1 LEU A 16 0.690 1.140 0.039 1.00 0.13 C ATOM 303 CD2 LEU A 16 0.814 -1.279 0.665 1.00 0.19 C ATOM 0 H LEU A 16 -1.467 -1.885 0.647 1.00 0.15 H new ATOM 0 HA LEU A 16 -1.926 0.728 -0.147 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -0.623 -1.614 -1.577 1.00 0.13 H new ATOM 0 HB3 LEU A 16 -0.578 0.023 -2.201 1.00 0.13 H new ATOM 0 HG LEU A 16 1.494 -0.428 -1.159 1.00 0.14 H new ATOM 0 HD11 LEU A 16 1.608 1.299 0.605 1.00 0.13 H new ATOM 0 HD12 LEU A 16 0.658 1.832 -0.802 1.00 0.13 H new ATOM 0 HD13 LEU A 16 -0.170 1.315 0.686 1.00 0.13 H new ATOM 0 HD21 LEU A 16 1.730 -1.055 1.212 1.00 0.19 H new ATOM 0 HD22 LEU A 16 -0.040 -1.199 1.338 1.00 0.19 H new ATOM 0 HD23 LEU A 16 0.868 -2.292 0.267 1.00 0.19 H new ATOM 315 N TYR A 17 -3.354 -1.510 -2.118 1.00 0.14 N ATOM 316 CA TYR A 17 -4.424 -1.716 -3.090 1.00 0.18 C ATOM 317 C TYR A 17 -5.740 -1.120 -2.586 1.00 0.20 C ATOM 318 O TYR A 17 -6.503 -0.528 -3.350 1.00 0.27 O ATOM 319 CB TYR A 17 -4.610 -3.212 -3.372 1.00 0.18 C ATOM 320 CG TYR A 17 -3.400 -3.886 -3.987 1.00 0.17 C ATOM 321 CD1 TYR A 17 -3.155 -3.806 -5.351 1.00 0.18 C ATOM 322 CD2 TYR A 17 -2.498 -4.592 -3.201 1.00 0.22 C ATOM 323 CE1 TYR A 17 -2.050 -4.414 -5.913 1.00 0.22 C ATOM 324 CE2 TYR A 17 -1.389 -5.201 -3.756 1.00 0.25 C ATOM 325 CZ TYR A 17 -1.190 -5.137 -5.119 1.00 0.25 C ATOM 326 OH TYR A 17 -0.071 -5.711 -5.671 1.00 0.30 O ATOM 0 H TYR A 17 -2.860 -2.361 -1.851 1.00 0.14 H new ATOM 0 HA TYR A 17 -4.141 -1.210 -4.013 1.00 0.18 H new ATOM 0 HB2 TYR A 17 -4.858 -3.718 -2.439 1.00 0.18 H new ATOM 0 HB3 TYR A 17 -5.462 -3.341 -4.040 1.00 0.18 H new ATOM 0 HD1 TYR A 17 -3.840 -3.259 -5.983 1.00 0.18 H new ATOM 0 HD2 TYR A 17 -2.667 -4.666 -2.137 1.00 0.22 H new ATOM 0 HE1 TYR A 17 -1.861 -4.322 -6.972 1.00 0.22 H new ATOM 0 HE2 TYR A 17 -0.683 -5.723 -3.127 1.00 0.25 H new ATOM 0 HH TYR A 17 0.431 -6.185 -4.975 1.00 0.30 H new ATOM 336 N HIS A 18 -5.972 -1.240 -1.284 1.00 0.19 N ATOM 337 CA HIS A 18 -7.230 -0.817 -0.683 1.00 0.25 C ATOM 338 C HIS A 18 -7.341 0.709 -0.628 1.00 0.19 C ATOM 339 O HIS A 18 -8.441 1.254 -0.703 1.00 0.23 O ATOM 340 CB HIS A 18 -7.363 -1.406 0.724 1.00 0.35 C ATOM 341 CG HIS A 18 -8.731 -1.249 1.312 1.00 0.77 C ATOM 342 ND1 HIS A 18 -9.033 -0.334 2.297 1.00 1.16 N ATOM 343 CD2 HIS A 18 -9.882 -1.906 1.046 1.00 1.11 C ATOM 344 CE1 HIS A 18 -10.310 -0.434 2.611 1.00 1.56 C ATOM 345 NE2 HIS A 18 -10.848 -1.380 1.867 1.00 1.54 N ATOM 0 H HIS A 18 -5.301 -1.629 -0.622 1.00 0.19 H new ATOM 0 HA HIS A 18 -8.042 -1.188 -1.308 1.00 0.25 H new ATOM 0 HB2 HIS A 18 -7.110 -2.466 0.691 1.00 0.35 H new ATOM 0 HB3 HIS A 18 -6.637 -0.926 1.380 1.00 0.35 H new ATOM 0 HD2 HIS A 18 -10.016 -2.697 0.323 1.00 1.11 H new ATOM 0 HE1 HIS A 18 -10.827 0.158 3.352 1.00 1.56 H new ATOM 0 HE2 HIS A 18 -11.824 -1.674 1.897 1.00 1.54 H new ATOM 354 N VAL A 19 -6.207 1.393 -0.510 1.00 0.16 N ATOM 355 CA VAL A 19 -6.207 2.857 -0.443 1.00 0.15 C ATOM 356 C VAL A 19 -6.589 3.429 -1.797 1.00 0.14 C ATOM 357 O VAL A 19 -7.217 4.483 -1.883 1.00 0.17 O ATOM 358 CB VAL A 19 -4.831 3.450 -0.015 1.00 0.17 C ATOM 359 CG1 VAL A 19 -3.990 2.418 0.713 1.00 0.17 C ATOM 360 CG2 VAL A 19 -4.059 4.027 -1.200 1.00 0.22 C ATOM 0 H VAL A 19 -5.282 0.965 -0.459 1.00 0.16 H new ATOM 0 HA VAL A 19 -6.934 3.135 0.320 1.00 0.15 H new ATOM 0 HB VAL A 19 -5.043 4.270 0.671 1.00 0.17 H new ATOM 0 HG11 VAL A 19 -3.036 2.862 0.999 1.00 0.17 H new ATOM 0 HG12 VAL A 19 -4.517 2.084 1.607 1.00 0.17 H new ATOM 0 HG13 VAL A 19 -3.812 1.566 0.057 1.00 0.17 H new ATOM 0 HG21 VAL A 19 -3.107 4.429 -0.853 1.00 0.22 H new ATOM 0 HG22 VAL A 19 -3.876 3.241 -1.933 1.00 0.22 H new ATOM 0 HG23 VAL A 19 -4.643 4.824 -1.661 1.00 0.22 H new ATOM 370 N LEU A 20 -6.197 2.711 -2.844 1.00 0.14 N ATOM 371 CA LEU A 20 -6.415 3.152 -4.212 1.00 0.18 C ATOM 372 C LEU A 20 -7.750 2.649 -4.743 1.00 0.19 C ATOM 373 O LEU A 20 -8.236 3.110 -5.777 1.00 0.30 O ATOM 374 CB LEU A 20 -5.262 2.679 -5.101 1.00 0.20 C ATOM 375 CG LEU A 20 -3.972 3.493 -4.988 1.00 0.33 C ATOM 376 CD1 LEU A 20 -2.919 2.979 -5.955 1.00 0.71 C ATOM 377 CD2 LEU A 20 -4.248 4.962 -5.243 1.00 0.81 C ATOM 0 H LEU A 20 -5.722 1.812 -2.767 1.00 0.14 H new ATOM 0 HA LEU A 20 -6.445 4.242 -4.225 1.00 0.18 H new ATOM 0 HB2 LEU A 20 -5.039 1.640 -4.856 1.00 0.20 H new ATOM 0 HB3 LEU A 20 -5.594 2.698 -6.139 1.00 0.20 H new ATOM 0 HG LEU A 20 -3.588 3.380 -3.974 1.00 0.33 H new ATOM 0 HD11 LEU A 20 -2.012 3.574 -5.855 1.00 0.71 H new ATOM 0 HD12 LEU A 20 -2.696 1.936 -5.729 1.00 0.71 H new ATOM 0 HD13 LEU A 20 -3.293 3.057 -6.976 1.00 0.71 H new ATOM 0 HD21 LEU A 20 -3.319 5.527 -5.159 1.00 0.81 H new ATOM 0 HD22 LEU A 20 -4.659 5.086 -6.245 1.00 0.81 H new ATOM 0 HD23 LEU A 20 -4.965 5.330 -4.509 1.00 0.81 H new ATOM 389 N GLY A 21 -8.333 1.707 -4.025 1.00 0.16 N ATOM 390 CA GLY A 21 -9.637 1.184 -4.391 1.00 0.21 C ATOM 391 C GLY A 21 -9.566 0.124 -5.475 1.00 0.21 C ATOM 392 O GLY A 21 -10.587 -0.262 -6.044 1.00 0.31 O ATOM 0 H GLY A 21 -7.926 1.289 -3.188 1.00 0.16 H new ATOM 0 HA2 GLY A 21 -10.114 0.761 -3.507 1.00 0.21 H new ATOM 0 HA3 GLY A 21 -10.269 2.004 -4.733 1.00 0.21 H new ATOM 396 N LEU A 22 -8.366 -0.349 -5.759 1.00 0.16 N ATOM 397 CA LEU A 22 -8.169 -1.386 -6.760 1.00 0.19 C ATOM 398 C LEU A 22 -7.735 -2.685 -6.098 1.00 0.22 C ATOM 399 O LEU A 22 -7.377 -2.704 -4.921 1.00 0.22 O ATOM 400 CB LEU A 22 -7.148 -0.940 -7.820 1.00 0.17 C ATOM 401 CG LEU A 22 -5.882 -0.263 -7.291 1.00 0.14 C ATOM 402 CD1 LEU A 22 -4.897 -1.285 -6.753 1.00 0.12 C ATOM 403 CD2 LEU A 22 -5.236 0.567 -8.380 1.00 0.18 C ATOM 0 H LEU A 22 -7.508 -0.031 -5.309 1.00 0.16 H new ATOM 0 HA LEU A 22 -9.118 -1.560 -7.266 1.00 0.19 H new ATOM 0 HB2 LEU A 22 -6.853 -1.814 -8.401 1.00 0.17 H new ATOM 0 HB3 LEU A 22 -7.643 -0.253 -8.506 1.00 0.17 H new ATOM 0 HG LEU A 22 -6.169 0.393 -6.469 1.00 0.14 H new ATOM 0 HD11 LEU A 22 -4.008 -0.774 -6.384 1.00 0.12 H new ATOM 0 HD12 LEU A 22 -5.359 -1.842 -5.938 1.00 0.12 H new ATOM 0 HD13 LEU A 22 -4.616 -1.974 -7.550 1.00 0.12 H new ATOM 0 HD21 LEU A 22 -4.336 1.043 -7.990 1.00 0.18 H new ATOM 0 HD22 LEU A 22 -4.971 -0.076 -9.219 1.00 0.18 H new ATOM 0 HD23 LEU A 22 -5.935 1.333 -8.717 1.00 0.18 H new ATOM 415 N ASP A 23 -7.802 -3.771 -6.843 1.00 0.29 N ATOM 416 CA ASP A 23 -7.415 -5.068 -6.321 1.00 0.36 C ATOM 417 C ASP A 23 -6.033 -5.448 -6.821 1.00 0.26 C ATOM 418 O ASP A 23 -5.411 -4.706 -7.579 1.00 0.22 O ATOM 419 CB ASP A 23 -8.436 -6.136 -6.721 1.00 0.51 C ATOM 420 CG ASP A 23 -9.787 -5.912 -6.071 1.00 1.35 C ATOM 421 OD1 ASP A 23 -9.972 -6.331 -4.909 1.00 1.79 O ATOM 422 OD2 ASP A 23 -10.674 -5.323 -6.722 1.00 2.20 O ATOM 0 H ASP A 23 -8.121 -3.782 -7.812 1.00 0.29 H new ATOM 0 HA ASP A 23 -7.388 -5.006 -5.233 1.00 0.36 H new ATOM 0 HB2 ASP A 23 -8.552 -6.137 -7.805 1.00 0.51 H new ATOM 0 HB3 ASP A 23 -8.059 -7.119 -6.440 1.00 0.51 H new ATOM 427 N LYS A 24 -5.577 -6.629 -6.424 1.00 0.31 N ATOM 428 CA LYS A 24 -4.239 -7.106 -6.754 1.00 0.30 C ATOM 429 C LYS A 24 -4.150 -7.515 -8.219 1.00 0.26 C ATOM 430 O LYS A 24 -3.150 -8.076 -8.662 1.00 0.41 O ATOM 431 CB LYS A 24 -3.894 -8.298 -5.865 1.00 0.39 C ATOM 432 CG LYS A 24 -4.862 -9.458 -6.030 1.00 1.14 C ATOM 433 CD LYS A 24 -5.462 -9.899 -4.703 1.00 1.02 C ATOM 434 CE LYS A 24 -6.282 -8.788 -4.071 1.00 0.86 C ATOM 435 NZ LYS A 24 -7.008 -9.245 -2.861 1.00 1.36 N ATOM 0 H LYS A 24 -6.124 -7.284 -5.864 1.00 0.31 H new ATOM 0 HA LYS A 24 -3.529 -6.297 -6.583 1.00 0.30 H new ATOM 0 HB2 LYS A 24 -2.885 -8.638 -6.097 1.00 0.39 H new ATOM 0 HB3 LYS A 24 -3.891 -7.979 -4.823 1.00 0.39 H new ATOM 0 HG2 LYS A 24 -5.663 -9.167 -6.710 1.00 1.14 H new ATOM 0 HG3 LYS A 24 -4.343 -10.299 -6.490 1.00 1.14 H new ATOM 0 HD2 LYS A 24 -6.092 -10.775 -4.860 1.00 1.02 H new ATOM 0 HD3 LYS A 24 -4.665 -10.197 -4.022 1.00 1.02 H new ATOM 0 HE2 LYS A 24 -5.625 -7.959 -3.807 1.00 0.86 H new ATOM 0 HE3 LYS A 24 -6.998 -8.408 -4.800 1.00 0.86 H new ATOM 0 HZ1 LYS A 24 -8.028 -9.089 -2.989 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -6.829 -10.258 -2.711 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -6.676 -8.709 -2.034 1.00 1.36 H new ATOM 449 N ASN A 25 -5.199 -7.219 -8.963 1.00 0.22 N ATOM 450 CA ASN A 25 -5.280 -7.592 -10.360 1.00 0.28 C ATOM 451 C ASN A 25 -5.105 -6.360 -11.230 1.00 0.26 C ATOM 452 O ASN A 25 -5.269 -6.411 -12.448 1.00 0.36 O ATOM 453 CB ASN A 25 -6.618 -8.279 -10.655 1.00 0.39 C ATOM 454 CG ASN A 25 -6.734 -9.640 -9.993 1.00 0.85 C ATOM 455 OD1 ASN A 25 -6.346 -10.657 -10.568 1.00 1.45 O ATOM 456 ND2 ASN A 25 -7.266 -9.675 -8.779 1.00 0.87 N ATOM 0 H ASN A 25 -6.015 -6.715 -8.616 1.00 0.22 H new ATOM 0 HA ASN A 25 -4.481 -8.298 -10.587 1.00 0.28 H new ATOM 0 HB2 ASN A 25 -7.433 -7.642 -10.312 1.00 0.39 H new ATOM 0 HB3 ASN A 25 -6.734 -8.392 -11.733 1.00 0.39 H new ATOM 0 HD21 ASN A 25 -7.365 -10.565 -8.291 1.00 0.87 H new ATOM 0 HD22 ASN A 25 -7.577 -8.812 -8.333 1.00 0.87 H new ATOM 463 N ALA A 26 -4.767 -5.247 -10.588 1.00 0.17 N ATOM 464 CA ALA A 26 -4.501 -4.007 -11.297 1.00 0.15 C ATOM 465 C ALA A 26 -3.122 -4.047 -11.930 1.00 0.16 C ATOM 466 O ALA A 26 -2.263 -4.837 -11.532 1.00 0.26 O ATOM 467 CB ALA A 26 -4.591 -2.816 -10.358 1.00 0.16 C ATOM 0 H ALA A 26 -4.671 -5.181 -9.575 1.00 0.17 H new ATOM 0 HA ALA A 26 -5.255 -3.898 -12.077 1.00 0.15 H new ATOM 0 HB1 ALA A 26 -4.388 -1.900 -10.912 1.00 0.16 H new ATOM 0 HB2 ALA A 26 -5.592 -2.766 -9.928 1.00 0.16 H new ATOM 0 HB3 ALA A 26 -3.858 -2.927 -9.559 1.00 0.16 H new ATOM 473 N THR A 27 -2.917 -3.190 -12.908 1.00 0.15 N ATOM 474 CA THR A 27 -1.624 -3.062 -13.544 1.00 0.18 C ATOM 475 C THR A 27 -1.065 -1.678 -13.248 1.00 0.12 C ATOM 476 O THR A 27 -1.756 -0.865 -12.628 1.00 0.11 O ATOM 477 CB THR A 27 -1.722 -3.300 -15.071 1.00 0.25 C ATOM 478 OG1 THR A 27 -0.412 -3.378 -15.652 1.00 0.32 O ATOM 479 CG2 THR A 27 -2.516 -2.191 -15.751 1.00 0.26 C ATOM 0 H THR A 27 -3.634 -2.568 -13.281 1.00 0.15 H new ATOM 0 HA THR A 27 -0.953 -3.822 -13.143 1.00 0.18 H new ATOM 0 HB THR A 27 -2.242 -4.245 -15.225 1.00 0.25 H new ATOM 0 HG1 THR A 27 -0.491 -3.530 -16.617 1.00 0.32 H new ATOM 0 HG21 THR A 27 -2.568 -2.385 -16.822 1.00 0.26 H new ATOM 0 HG22 THR A 27 -3.524 -2.160 -15.338 1.00 0.26 H new ATOM 0 HG23 THR A 27 -2.024 -1.234 -15.579 1.00 0.26 H new ATOM 487 N SER A 28 0.166 -1.410 -13.674 1.00 0.15 N ATOM 488 CA SER A 28 0.813 -0.125 -13.418 1.00 0.17 C ATOM 489 C SER A 28 -0.114 1.035 -13.766 1.00 0.15 C ATOM 490 O SER A 28 -0.180 2.034 -13.047 1.00 0.19 O ATOM 491 CB SER A 28 2.104 -0.021 -14.228 1.00 0.22 C ATOM 492 OG SER A 28 2.939 -1.145 -14.000 1.00 1.09 O ATOM 0 H SER A 28 0.739 -2.069 -14.201 1.00 0.15 H new ATOM 0 HA SER A 28 1.047 -0.067 -12.355 1.00 0.17 H new ATOM 0 HB2 SER A 28 1.867 0.051 -15.289 1.00 0.22 H new ATOM 0 HB3 SER A 28 2.635 0.892 -13.957 1.00 0.22 H new ATOM 0 HG SER A 28 3.564 -0.946 -13.272 1.00 1.09 H new ATOM 498 N ASP A 29 -0.856 0.870 -14.850 1.00 0.15 N ATOM 499 CA ASP A 29 -1.776 1.895 -15.319 1.00 0.21 C ATOM 500 C ASP A 29 -2.895 2.148 -14.309 1.00 0.18 C ATOM 501 O ASP A 29 -3.176 3.295 -13.977 1.00 0.26 O ATOM 502 CB ASP A 29 -2.369 1.514 -16.675 1.00 0.30 C ATOM 503 CG ASP A 29 -3.160 2.648 -17.297 1.00 1.19 C ATOM 504 OD1 ASP A 29 -2.540 3.650 -17.717 1.00 1.20 O ATOM 505 OD2 ASP A 29 -4.399 2.537 -17.389 1.00 2.17 O ATOM 0 H ASP A 29 -0.838 0.028 -15.426 1.00 0.15 H new ATOM 0 HA ASP A 29 -1.205 2.817 -15.431 1.00 0.21 H new ATOM 0 HB2 ASP A 29 -1.566 1.221 -17.351 1.00 0.30 H new ATOM 0 HB3 ASP A 29 -3.017 0.646 -16.555 1.00 0.30 H new ATOM 510 N ASP A 30 -3.505 1.081 -13.784 1.00 0.14 N ATOM 511 CA ASP A 30 -4.620 1.227 -12.858 1.00 0.19 C ATOM 512 C ASP A 30 -4.146 1.895 -11.584 1.00 0.12 C ATOM 513 O ASP A 30 -4.814 2.767 -11.031 1.00 0.12 O ATOM 514 CB ASP A 30 -5.209 -0.139 -12.508 1.00 0.31 C ATOM 515 CG ASP A 30 -5.961 -0.785 -13.648 1.00 1.08 C ATOM 516 OD1 ASP A 30 -7.135 -0.423 -13.865 1.00 1.02 O ATOM 517 OD2 ASP A 30 -5.372 -1.633 -14.349 1.00 2.12 O ATOM 0 H ASP A 30 -3.244 0.116 -13.986 1.00 0.14 H new ATOM 0 HA ASP A 30 -5.385 1.838 -13.338 1.00 0.19 H new ATOM 0 HB2 ASP A 30 -4.404 -0.803 -12.193 1.00 0.31 H new ATOM 0 HB3 ASP A 30 -5.881 -0.028 -11.657 1.00 0.31 H new ATOM 522 N ILE A 31 -2.973 1.472 -11.143 1.00 0.09 N ATOM 523 CA ILE A 31 -2.373 1.954 -9.912 1.00 0.09 C ATOM 524 C ILE A 31 -2.041 3.442 -9.996 1.00 0.09 C ATOM 525 O ILE A 31 -2.307 4.202 -9.063 1.00 0.15 O ATOM 526 CB ILE A 31 -1.104 1.133 -9.608 1.00 0.11 C ATOM 527 CG1 ILE A 31 -1.496 -0.331 -9.396 1.00 0.12 C ATOM 528 CG2 ILE A 31 -0.370 1.682 -8.392 1.00 0.13 C ATOM 529 CD1 ILE A 31 -0.427 -1.318 -9.802 1.00 0.13 C ATOM 0 H ILE A 31 -2.407 0.779 -11.633 1.00 0.09 H new ATOM 0 HA ILE A 31 -3.092 1.828 -9.103 1.00 0.09 H new ATOM 0 HB ILE A 31 -0.421 1.206 -10.454 1.00 0.11 H new ATOM 0 HG12 ILE A 31 -1.736 -0.483 -8.344 1.00 0.12 H new ATOM 0 HG13 ILE A 31 -2.403 -0.539 -9.963 1.00 0.12 H new ATOM 0 HG21 ILE A 31 0.520 1.082 -8.203 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -0.078 2.715 -8.579 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -1.026 1.642 -7.522 1.00 0.13 H new ATOM 0 HD11 ILE A 31 -0.781 -2.333 -9.621 1.00 0.13 H new ATOM 0 HD12 ILE A 31 -0.202 -1.196 -10.862 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.475 -1.139 -9.217 1.00 0.13 H new ATOM 541 N LYS A 32 -1.486 3.858 -11.120 1.00 0.10 N ATOM 542 CA LYS A 32 -1.078 5.242 -11.296 1.00 0.15 C ATOM 543 C LYS A 32 -2.278 6.163 -11.509 1.00 0.15 C ATOM 544 O LYS A 32 -2.309 7.271 -10.971 1.00 0.19 O ATOM 545 CB LYS A 32 -0.074 5.355 -12.442 1.00 0.25 C ATOM 546 CG LYS A 32 1.247 4.670 -12.128 1.00 0.39 C ATOM 547 CD LYS A 32 2.239 4.787 -13.271 1.00 0.92 C ATOM 548 CE LYS A 32 3.558 4.123 -12.913 1.00 0.77 C ATOM 549 NZ LYS A 32 4.563 4.254 -13.999 1.00 1.54 N ATOM 0 H LYS A 32 -1.307 3.258 -11.925 1.00 0.10 H new ATOM 0 HA LYS A 32 -0.590 5.571 -10.379 1.00 0.15 H new ATOM 0 HB2 LYS A 32 -0.503 4.914 -13.342 1.00 0.25 H new ATOM 0 HB3 LYS A 32 0.109 6.408 -12.658 1.00 0.25 H new ATOM 0 HG2 LYS A 32 1.678 5.110 -11.229 1.00 0.39 H new ATOM 0 HG3 LYS A 32 1.066 3.617 -11.912 1.00 0.39 H new ATOM 0 HD2 LYS A 32 1.825 4.323 -14.166 1.00 0.92 H new ATOM 0 HD3 LYS A 32 2.408 5.838 -13.505 1.00 0.92 H new ATOM 0 HE2 LYS A 32 3.952 4.569 -12.000 1.00 0.77 H new ATOM 0 HE3 LYS A 32 3.387 3.067 -12.704 1.00 0.77 H new ATOM 0 HZ1 LYS A 32 5.447 3.787 -13.712 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.200 3.806 -14.864 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 4.747 5.261 -14.182 1.00 1.54 H new ATOM 563 N LYS A 33 -3.265 5.712 -12.277 1.00 0.15 N ATOM 564 CA LYS A 33 -4.496 6.477 -12.450 1.00 0.19 C ATOM 565 C LYS A 33 -5.226 6.636 -11.120 1.00 0.16 C ATOM 566 O LYS A 33 -5.612 7.745 -10.748 1.00 0.20 O ATOM 567 CB LYS A 33 -5.415 5.806 -13.466 1.00 0.24 C ATOM 568 CG LYS A 33 -4.779 5.627 -14.831 1.00 0.30 C ATOM 569 CD LYS A 33 -5.803 5.209 -15.875 1.00 0.43 C ATOM 570 CE LYS A 33 -6.464 3.888 -15.516 1.00 0.63 C ATOM 571 NZ LYS A 33 -7.440 3.457 -16.549 1.00 1.21 N ATOM 0 H LYS A 33 -3.238 4.828 -12.786 1.00 0.15 H new ATOM 0 HA LYS A 33 -4.223 7.464 -12.823 1.00 0.19 H new ATOM 0 HB2 LYS A 33 -5.716 4.831 -13.083 1.00 0.24 H new ATOM 0 HB3 LYS A 33 -6.322 6.401 -13.572 1.00 0.24 H new ATOM 0 HG2 LYS A 33 -4.306 6.560 -15.138 1.00 0.30 H new ATOM 0 HG3 LYS A 33 -3.992 4.875 -14.771 1.00 0.30 H new ATOM 0 HD2 LYS A 33 -6.564 5.983 -15.969 1.00 0.43 H new ATOM 0 HD3 LYS A 33 -5.317 5.121 -16.847 1.00 0.43 H new ATOM 0 HE2 LYS A 33 -5.699 3.120 -15.397 1.00 0.63 H new ATOM 0 HE3 LYS A 33 -6.971 3.985 -14.556 1.00 0.63 H new ATOM 0 HZ1 LYS A 33 -7.868 2.552 -16.266 1.00 1.21 H new ATOM 0 HZ2 LYS A 33 -8.184 4.177 -16.645 1.00 1.21 H new ATOM 0 HZ3 LYS A 33 -6.952 3.339 -17.460 1.00 1.21 H new ATOM 585 N SER A 34 -5.407 5.526 -10.406 1.00 0.15 N ATOM 586 CA SER A 34 -6.051 5.552 -9.096 1.00 0.16 C ATOM 587 C SER A 34 -5.296 6.462 -8.143 1.00 0.13 C ATOM 588 O SER A 34 -5.906 7.136 -7.310 1.00 0.15 O ATOM 589 CB SER A 34 -6.156 4.144 -8.516 1.00 0.20 C ATOM 590 OG SER A 34 -6.905 3.300 -9.375 1.00 1.00 O ATOM 0 H SER A 34 -5.116 4.598 -10.714 1.00 0.15 H new ATOM 0 HA SER A 34 -7.059 5.947 -9.224 1.00 0.16 H new ATOM 0 HB2 SER A 34 -5.158 3.730 -8.372 1.00 0.20 H new ATOM 0 HB3 SER A 34 -6.629 4.184 -7.535 1.00 0.20 H new ATOM 0 HG SER A 34 -6.331 2.982 -10.103 1.00 1.00 H new ATOM 596 N TYR A 35 -3.970 6.484 -8.268 1.00 0.12 N ATOM 597 CA TYR A 35 -3.164 7.416 -7.504 1.00 0.11 C ATOM 598 C TYR A 35 -3.629 8.834 -7.769 1.00 0.10 C ATOM 599 O TYR A 35 -4.035 9.522 -6.849 1.00 0.14 O ATOM 600 CB TYR A 35 -1.675 7.278 -7.835 1.00 0.13 C ATOM 601 CG TYR A 35 -0.852 8.488 -7.433 1.00 0.15 C ATOM 602 CD1 TYR A 35 -0.635 8.810 -6.096 1.00 0.13 C ATOM 603 CD2 TYR A 35 -0.306 9.322 -8.403 1.00 0.24 C ATOM 604 CE1 TYR A 35 0.099 9.923 -5.742 1.00 0.15 C ATOM 605 CE2 TYR A 35 0.433 10.434 -8.054 1.00 0.28 C ATOM 606 CZ TYR A 35 0.631 10.730 -6.725 1.00 0.24 C ATOM 607 OH TYR A 35 1.356 11.844 -6.379 1.00 0.28 O ATOM 0 H TYR A 35 -3.441 5.870 -8.887 1.00 0.12 H new ATOM 0 HA TYR A 35 -3.290 7.183 -6.447 1.00 0.11 H new ATOM 0 HB2 TYR A 35 -1.279 6.396 -7.332 1.00 0.13 H new ATOM 0 HB3 TYR A 35 -1.563 7.112 -8.906 1.00 0.13 H new ATOM 0 HD1 TYR A 35 -1.048 8.178 -5.324 1.00 0.13 H new ATOM 0 HD2 TYR A 35 -0.463 9.095 -9.447 1.00 0.24 H new ATOM 0 HE1 TYR A 35 0.256 10.161 -4.700 1.00 0.15 H new ATOM 0 HE2 TYR A 35 0.854 11.069 -8.820 1.00 0.28 H new ATOM 0 HH TYR A 35 1.660 12.301 -7.191 1.00 0.28 H new ATOM 617 N ARG A 36 -3.585 9.248 -9.032 1.00 0.11 N ATOM 618 CA ARG A 36 -4.011 10.588 -9.422 1.00 0.12 C ATOM 619 C ARG A 36 -5.389 10.908 -8.853 1.00 0.11 C ATOM 620 O ARG A 36 -5.543 11.850 -8.089 1.00 0.12 O ATOM 621 CB ARG A 36 -4.047 10.708 -10.947 1.00 0.17 C ATOM 622 CG ARG A 36 -2.725 10.377 -11.619 1.00 0.20 C ATOM 623 CD ARG A 36 -1.611 11.296 -11.151 1.00 0.25 C ATOM 624 NE ARG A 36 -1.866 12.693 -11.501 1.00 1.13 N ATOM 625 CZ ARG A 36 -0.978 13.675 -11.357 1.00 1.43 C ATOM 626 NH1 ARG A 36 0.246 13.412 -10.916 1.00 0.87 N ATOM 627 NH2 ARG A 36 -1.309 14.919 -11.678 1.00 2.42 N ATOM 0 H ARG A 36 -3.257 8.671 -9.806 1.00 0.11 H new ATOM 0 HA ARG A 36 -3.292 11.301 -9.019 1.00 0.12 H new ATOM 0 HB2 ARG A 36 -4.818 10.044 -11.336 1.00 0.17 H new ATOM 0 HB3 ARG A 36 -4.336 11.724 -11.216 1.00 0.17 H new ATOM 0 HG2 ARG A 36 -2.457 9.342 -11.405 1.00 0.20 H new ATOM 0 HG3 ARG A 36 -2.835 10.461 -12.700 1.00 0.20 H new ATOM 0 HD2 ARG A 36 -1.499 11.208 -10.070 1.00 0.25 H new ATOM 0 HD3 ARG A 36 -0.668 10.978 -11.596 1.00 0.25 H new ATOM 0 HE ARG A 36 -2.783 12.930 -11.880 1.00 1.13 H new ATOM 0 HH11 ARG A 36 0.510 12.454 -10.686 1.00 0.87 H new ATOM 0 HH12 ARG A 36 0.922 14.168 -10.808 1.00 0.87 H new ATOM 0 HH21 ARG A 36 -2.243 15.122 -12.035 1.00 2.42 H new ATOM 0 HH22 ARG A 36 -0.630 15.672 -11.568 1.00 2.42 H new ATOM 641 N LYS A 37 -6.358 10.065 -9.183 1.00 0.12 N ATOM 642 CA LYS A 37 -7.758 10.256 -8.796 1.00 0.15 C ATOM 643 C LYS A 37 -7.915 10.592 -7.316 1.00 0.12 C ATOM 644 O LYS A 37 -8.735 11.431 -6.941 1.00 0.14 O ATOM 645 CB LYS A 37 -8.533 8.976 -9.097 1.00 0.20 C ATOM 646 CG LYS A 37 -8.689 8.691 -10.578 1.00 0.38 C ATOM 647 CD LYS A 37 -8.898 7.207 -10.854 1.00 0.25 C ATOM 648 CE LYS A 37 -9.839 6.564 -9.849 1.00 0.39 C ATOM 649 NZ LYS A 37 -10.101 5.135 -10.170 1.00 1.01 N ATOM 0 H LYS A 37 -6.198 9.220 -9.732 1.00 0.12 H new ATOM 0 HA LYS A 37 -8.146 11.099 -9.368 1.00 0.15 H new ATOM 0 HB2 LYS A 37 -8.025 8.135 -8.626 1.00 0.20 H new ATOM 0 HB3 LYS A 37 -9.522 9.045 -8.643 1.00 0.20 H new ATOM 0 HG2 LYS A 37 -9.536 9.255 -10.969 1.00 0.38 H new ATOM 0 HG3 LYS A 37 -7.803 9.037 -11.109 1.00 0.38 H new ATOM 0 HD2 LYS A 37 -9.300 7.079 -11.859 1.00 0.25 H new ATOM 0 HD3 LYS A 37 -7.936 6.695 -10.828 1.00 0.25 H new ATOM 0 HE2 LYS A 37 -9.409 6.639 -8.850 1.00 0.39 H new ATOM 0 HE3 LYS A 37 -10.782 7.111 -9.833 1.00 0.39 H new ATOM 0 HZ1 LYS A 37 -10.747 4.733 -9.461 1.00 1.01 H new ATOM 0 HZ2 LYS A 37 -10.534 5.065 -11.113 1.00 1.01 H new ATOM 0 HZ3 LYS A 37 -9.205 4.607 -10.161 1.00 1.01 H new ATOM 663 N LEU A 38 -7.146 9.922 -6.483 1.00 0.09 N ATOM 664 CA LEU A 38 -7.218 10.131 -5.050 1.00 0.08 C ATOM 665 C LEU A 38 -6.230 11.196 -4.574 1.00 0.08 C ATOM 666 O LEU A 38 -6.495 11.915 -3.614 1.00 0.10 O ATOM 667 CB LEU A 38 -6.960 8.808 -4.354 1.00 0.09 C ATOM 668 CG LEU A 38 -8.042 7.753 -4.585 1.00 0.15 C ATOM 669 CD1 LEU A 38 -7.519 6.377 -4.238 1.00 0.16 C ATOM 670 CD2 LEU A 38 -9.284 8.073 -3.768 1.00 0.20 C ATOM 0 H LEU A 38 -6.461 9.225 -6.774 1.00 0.09 H new ATOM 0 HA LEU A 38 -8.213 10.498 -4.799 1.00 0.08 H new ATOM 0 HB2 LEU A 38 -6.004 8.412 -4.696 1.00 0.09 H new ATOM 0 HB3 LEU A 38 -6.866 8.987 -3.283 1.00 0.09 H new ATOM 0 HG LEU A 38 -8.314 7.764 -5.640 1.00 0.15 H new ATOM 0 HD11 LEU A 38 -8.301 5.637 -4.408 1.00 0.16 H new ATOM 0 HD12 LEU A 38 -6.658 6.146 -4.866 1.00 0.16 H new ATOM 0 HD13 LEU A 38 -7.220 6.355 -3.190 1.00 0.16 H new ATOM 0 HD21 LEU A 38 -10.043 7.311 -3.946 1.00 0.20 H new ATOM 0 HD22 LEU A 38 -9.028 8.090 -2.709 1.00 0.20 H new ATOM 0 HD23 LEU A 38 -9.673 9.048 -4.063 1.00 0.20 H new ATOM 682 N ALA A 39 -5.095 11.273 -5.249 1.00 0.08 N ATOM 683 CA ALA A 39 -4.014 12.198 -4.897 1.00 0.10 C ATOM 684 C ALA A 39 -4.485 13.640 -4.787 1.00 0.12 C ATOM 685 O ALA A 39 -4.223 14.297 -3.786 1.00 0.15 O ATOM 686 CB ALA A 39 -2.884 12.102 -5.907 1.00 0.12 C ATOM 0 H ALA A 39 -4.890 10.694 -6.063 1.00 0.08 H new ATOM 0 HA ALA A 39 -3.656 11.898 -3.912 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -2.089 12.795 -5.631 1.00 0.12 H new ATOM 0 HB2 ALA A 39 -2.491 11.085 -5.918 1.00 0.12 H new ATOM 0 HB3 ALA A 39 -3.259 12.356 -6.898 1.00 0.12 H new ATOM 692 N LEU A 40 -5.165 14.147 -5.807 1.00 0.12 N ATOM 693 CA LEU A 40 -5.654 15.522 -5.736 1.00 0.15 C ATOM 694 C LEU A 40 -6.808 15.617 -4.747 1.00 0.15 C ATOM 695 O LEU A 40 -6.882 16.556 -3.967 1.00 0.19 O ATOM 696 CB LEU A 40 -6.049 16.144 -7.100 1.00 0.18 C ATOM 697 CG LEU A 40 -6.476 15.223 -8.259 1.00 0.18 C ATOM 698 CD1 LEU A 40 -5.270 14.552 -8.898 1.00 0.18 C ATOM 699 CD2 LEU A 40 -7.506 14.193 -7.825 1.00 0.16 C ATOM 0 H LEU A 40 -5.387 13.648 -6.668 1.00 0.12 H new ATOM 0 HA LEU A 40 -4.809 16.117 -5.388 1.00 0.15 H new ATOM 0 HB2 LEU A 40 -6.868 16.839 -6.917 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -5.201 16.734 -7.447 1.00 0.18 H new ATOM 0 HG LEU A 40 -6.952 15.855 -9.008 1.00 0.18 H new ATOM 0 HD11 LEU A 40 -5.601 13.908 -9.713 1.00 0.18 H new ATOM 0 HD12 LEU A 40 -4.595 15.313 -9.289 1.00 0.18 H new ATOM 0 HD13 LEU A 40 -4.749 13.953 -8.151 1.00 0.18 H new ATOM 0 HD21 LEU A 40 -7.776 13.567 -8.676 1.00 0.16 H new ATOM 0 HD22 LEU A 40 -7.087 13.570 -7.035 1.00 0.16 H new ATOM 0 HD23 LEU A 40 -8.395 14.702 -7.453 1.00 0.16 H new ATOM 711 N LYS A 41 -7.683 14.624 -4.781 1.00 0.14 N ATOM 712 CA LYS A 41 -8.785 14.497 -3.827 1.00 0.16 C ATOM 713 C LYS A 41 -8.297 14.634 -2.380 1.00 0.17 C ATOM 714 O LYS A 41 -8.961 15.246 -1.546 1.00 0.23 O ATOM 715 CB LYS A 41 -9.462 13.140 -4.024 1.00 0.18 C ATOM 716 CG LYS A 41 -10.555 12.828 -3.017 1.00 0.24 C ATOM 717 CD LYS A 41 -11.069 11.412 -3.198 1.00 0.34 C ATOM 718 CE LYS A 41 -12.193 11.095 -2.228 1.00 0.41 C ATOM 719 NZ LYS A 41 -13.395 11.935 -2.468 1.00 1.22 N ATOM 0 H LYS A 41 -7.652 13.876 -5.474 1.00 0.14 H new ATOM 0 HA LYS A 41 -9.497 15.302 -4.011 1.00 0.16 H new ATOM 0 HB2 LYS A 41 -9.888 13.103 -5.027 1.00 0.18 H new ATOM 0 HB3 LYS A 41 -8.704 12.359 -3.971 1.00 0.18 H new ATOM 0 HG2 LYS A 41 -10.169 12.953 -2.005 1.00 0.24 H new ATOM 0 HG3 LYS A 41 -11.376 13.535 -3.135 1.00 0.24 H new ATOM 0 HD2 LYS A 41 -11.423 11.281 -4.221 1.00 0.34 H new ATOM 0 HD3 LYS A 41 -10.251 10.706 -3.051 1.00 0.34 H new ATOM 0 HE2 LYS A 41 -12.463 10.043 -2.319 1.00 0.41 H new ATOM 0 HE3 LYS A 41 -11.843 11.247 -1.207 1.00 0.41 H new ATOM 0 HZ1 LYS A 41 -14.202 11.544 -1.942 1.00 1.22 H new ATOM 0 HZ2 LYS A 41 -13.210 12.906 -2.146 1.00 1.22 H new ATOM 0 HZ3 LYS A 41 -13.615 11.943 -3.484 1.00 1.22 H new ATOM 733 N TYR A 42 -7.140 14.061 -2.089 1.00 0.16 N ATOM 734 CA TYR A 42 -6.558 14.141 -0.755 1.00 0.18 C ATOM 735 C TYR A 42 -5.300 15.008 -0.759 1.00 0.21 C ATOM 736 O TYR A 42 -4.420 14.855 0.091 1.00 0.24 O ATOM 737 CB TYR A 42 -6.238 12.739 -0.227 1.00 0.19 C ATOM 738 CG TYR A 42 -7.461 11.941 0.179 1.00 0.21 C ATOM 739 CD1 TYR A 42 -8.043 12.130 1.424 1.00 0.29 C ATOM 740 CD2 TYR A 42 -8.030 10.999 -0.671 1.00 0.25 C ATOM 741 CE1 TYR A 42 -9.152 11.408 1.813 1.00 0.36 C ATOM 742 CE2 TYR A 42 -9.142 10.273 -0.289 1.00 0.33 C ATOM 743 CZ TYR A 42 -9.699 10.481 0.953 1.00 0.37 C ATOM 744 OH TYR A 42 -10.805 9.756 1.336 1.00 0.46 O ATOM 0 H TYR A 42 -6.582 13.533 -2.760 1.00 0.16 H new ATOM 0 HA TYR A 42 -7.289 14.606 -0.093 1.00 0.18 H new ATOM 0 HB2 TYR A 42 -5.695 12.188 -0.995 1.00 0.19 H new ATOM 0 HB3 TYR A 42 -5.573 12.828 0.632 1.00 0.19 H new ATOM 0 HD1 TYR A 42 -7.620 12.856 2.102 1.00 0.29 H new ATOM 0 HD2 TYR A 42 -7.596 10.832 -1.646 1.00 0.25 H new ATOM 0 HE1 TYR A 42 -9.590 11.569 2.787 1.00 0.36 H new ATOM 0 HE2 TYR A 42 -9.572 9.546 -0.962 1.00 0.33 H new ATOM 0 HH TYR A 42 -11.064 9.148 0.613 1.00 0.46 H new ATOM 754 N HIS A 43 -5.228 15.927 -1.716 1.00 0.21 N ATOM 755 CA HIS A 43 -4.091 16.827 -1.842 1.00 0.26 C ATOM 756 C HIS A 43 -4.023 17.728 -0.617 1.00 0.33 C ATOM 757 O HIS A 43 -5.051 18.203 -0.172 1.00 0.38 O ATOM 758 CB HIS A 43 -4.235 17.685 -3.101 1.00 0.27 C ATOM 759 CG HIS A 43 -2.936 17.974 -3.785 1.00 0.34 C ATOM 760 ND1 HIS A 43 -2.436 19.247 -3.955 1.00 0.45 N ATOM 761 CD2 HIS A 43 -2.034 17.139 -4.354 1.00 0.37 C ATOM 762 CE1 HIS A 43 -1.286 19.181 -4.598 1.00 0.52 C ATOM 763 NE2 HIS A 43 -1.021 17.915 -4.850 1.00 0.48 N ATOM 0 H HIS A 43 -5.952 16.067 -2.421 1.00 0.21 H new ATOM 0 HA HIS A 43 -3.176 16.239 -1.918 1.00 0.26 H new ATOM 0 HB2 HIS A 43 -4.899 17.178 -3.801 1.00 0.27 H new ATOM 0 HB3 HIS A 43 -4.713 18.628 -2.835 1.00 0.27 H new ATOM 0 HD2 HIS A 43 -2.101 16.062 -4.407 1.00 0.37 H new ATOM 0 HE1 HIS A 43 -0.666 20.022 -4.872 1.00 0.52 H new ATOM 0 HE2 HIS A 43 -0.194 17.569 -5.336 1.00 0.48 H new ATOM 772 N PRO A 44 -2.812 17.986 -0.089 1.00 0.38 N ATOM 773 CA PRO A 44 -2.574 18.698 1.180 1.00 0.46 C ATOM 774 C PRO A 44 -3.504 19.887 1.445 1.00 0.48 C ATOM 775 O PRO A 44 -3.909 20.122 2.583 1.00 0.55 O ATOM 776 CB PRO A 44 -1.123 19.187 1.048 1.00 0.56 C ATOM 777 CG PRO A 44 -0.652 18.742 -0.296 1.00 0.50 C ATOM 778 CD PRO A 44 -1.547 17.616 -0.702 1.00 0.40 C ATOM 0 HA PRO A 44 -2.765 18.033 2.022 1.00 0.46 H new ATOM 0 HB2 PRO A 44 -1.068 20.272 1.140 1.00 0.56 H new ATOM 0 HB3 PRO A 44 -0.498 18.769 1.837 1.00 0.56 H new ATOM 0 HG2 PRO A 44 -0.703 19.559 -1.016 1.00 0.50 H new ATOM 0 HG3 PRO A 44 0.388 18.417 -0.256 1.00 0.50 H new ATOM 0 HD2 PRO A 44 -1.630 17.533 -1.786 1.00 0.40 H new ATOM 0 HD3 PRO A 44 -1.184 16.656 -0.336 1.00 0.40 H new ATOM 786 N ASP A 45 -3.846 20.633 0.406 1.00 0.47 N ATOM 787 CA ASP A 45 -4.698 21.808 0.561 1.00 0.51 C ATOM 788 C ASP A 45 -6.126 21.426 0.936 1.00 0.53 C ATOM 789 O ASP A 45 -6.856 22.207 1.544 1.00 0.61 O ATOM 790 CB ASP A 45 -4.691 22.638 -0.726 1.00 0.59 C ATOM 791 CG ASP A 45 -5.548 23.886 -0.635 1.00 1.24 C ATOM 792 OD1 ASP A 45 -5.054 24.914 -0.129 1.00 1.34 O ATOM 793 OD2 ASP A 45 -6.715 23.848 -1.082 1.00 1.87 O ATOM 0 H ASP A 45 -3.549 20.449 -0.552 1.00 0.47 H new ATOM 0 HA ASP A 45 -4.293 22.406 1.377 1.00 0.51 H new ATOM 0 HB2 ASP A 45 -3.666 22.925 -0.960 1.00 0.59 H new ATOM 0 HB3 ASP A 45 -5.046 22.020 -1.551 1.00 0.59 H new ATOM 798 N LYS A 46 -6.506 20.207 0.607 1.00 0.51 N ATOM 799 CA LYS A 46 -7.848 19.721 0.874 1.00 0.61 C ATOM 800 C LYS A 46 -7.979 19.228 2.306 1.00 0.68 C ATOM 801 O LYS A 46 -9.006 18.674 2.692 1.00 0.86 O ATOM 802 CB LYS A 46 -8.166 18.575 -0.074 1.00 0.58 C ATOM 803 CG LYS A 46 -8.007 18.939 -1.532 1.00 0.58 C ATOM 804 CD LYS A 46 -9.025 18.213 -2.397 1.00 0.57 C ATOM 805 CE LYS A 46 -8.900 18.588 -3.865 1.00 0.82 C ATOM 806 NZ LYS A 46 -9.345 19.979 -4.135 1.00 1.57 N ATOM 0 H LYS A 46 -5.898 19.528 0.149 1.00 0.51 H new ATOM 0 HA LYS A 46 -8.546 20.545 0.724 1.00 0.61 H new ATOM 0 HB2 LYS A 46 -7.514 17.732 0.155 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -9.189 18.243 0.100 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -8.124 20.016 -1.655 1.00 0.58 H new ATOM 0 HG3 LYS A 46 -7.000 18.688 -1.864 1.00 0.58 H new ATOM 0 HD2 LYS A 46 -8.893 17.137 -2.286 1.00 0.57 H new ATOM 0 HD3 LYS A 46 -10.030 18.448 -2.048 1.00 0.57 H new ATOM 0 HE2 LYS A 46 -7.862 18.474 -4.179 1.00 0.82 H new ATOM 0 HE3 LYS A 46 -9.492 17.897 -4.465 1.00 0.82 H new ATOM 0 HZ1 LYS A 46 -9.289 20.170 -5.156 1.00 1.57 H new ATOM 0 HZ2 LYS A 46 -10.327 20.098 -3.814 1.00 1.57 H new ATOM 0 HZ3 LYS A 46 -8.731 20.645 -3.624 1.00 1.57 H new ATOM 820 N ASN A 47 -6.937 19.435 3.090 1.00 0.63 N ATOM 821 CA ASN A 47 -6.848 18.811 4.395 1.00 0.73 C ATOM 822 C ASN A 47 -7.051 19.834 5.488 1.00 0.69 C ATOM 823 O ASN A 47 -6.306 20.811 5.590 1.00 0.75 O ATOM 824 CB ASN A 47 -5.490 18.136 4.606 1.00 0.86 C ATOM 825 CG ASN A 47 -5.105 17.146 3.516 1.00 0.96 C ATOM 826 OD1 ASN A 47 -5.425 17.453 2.272 1.00 1.49 O flip ATOM 827 ND2 ASN A 47 -4.467 16.132 3.790 1.00 0.63 N flip ATOM 0 H ASN A 47 -6.144 20.028 2.846 1.00 0.63 H new ATOM 0 HA ASN A 47 -7.632 18.055 4.439 1.00 0.73 H new ATOM 0 HB2 ASN A 47 -4.721 18.906 4.669 1.00 0.86 H new ATOM 0 HB3 ASN A 47 -5.501 17.617 5.564 1.00 0.86 H new ATOM 0 HD21 ASN A 47 -4.235 15.922 4.761 1.00 0.63 H new ATOM 0 HD22 ASN A 47 -4.169 15.500 3.047 1.00 0.63 H new ATOM 834 N PRO A 48 -8.088 19.637 6.295 1.00 0.69 N ATOM 835 CA PRO A 48 -8.304 20.407 7.512 1.00 0.76 C ATOM 836 C PRO A 48 -7.308 20.046 8.599 1.00 0.80 C ATOM 837 O PRO A 48 -6.209 19.556 8.322 1.00 0.83 O ATOM 838 CB PRO A 48 -9.729 20.022 7.941 1.00 0.81 C ATOM 839 CG PRO A 48 -10.319 19.321 6.763 1.00 0.86 C ATOM 840 CD PRO A 48 -9.164 18.671 6.068 1.00 0.74 C ATOM 0 HA PRO A 48 -8.175 21.476 7.344 1.00 0.76 H new ATOM 0 HB2 PRO A 48 -9.714 19.374 8.817 1.00 0.81 H new ATOM 0 HB3 PRO A 48 -10.312 20.904 8.206 1.00 0.81 H new ATOM 0 HG2 PRO A 48 -11.057 18.582 7.075 1.00 0.86 H new ATOM 0 HG3 PRO A 48 -10.830 20.023 6.104 1.00 0.86 H new ATOM 0 HD2 PRO A 48 -8.931 17.694 6.491 1.00 0.74 H new ATOM 0 HD3 PRO A 48 -9.359 18.520 5.006 1.00 0.74 H new ATOM 848 N ASP A 49 -7.700 20.291 9.828 1.00 0.89 N ATOM 849 CA ASP A 49 -6.844 20.084 10.977 1.00 1.01 C ATOM 850 C ASP A 49 -6.369 18.637 11.077 1.00 0.93 C ATOM 851 O ASP A 49 -5.229 18.372 11.467 1.00 0.99 O ATOM 852 CB ASP A 49 -7.610 20.489 12.228 1.00 1.20 C ATOM 853 CG ASP A 49 -8.663 19.479 12.650 1.00 1.71 C ATOM 854 OD1 ASP A 49 -9.772 19.488 12.075 1.00 2.28 O ATOM 855 OD2 ASP A 49 -8.394 18.677 13.569 1.00 1.72 O ATOM 0 H ASP A 49 -8.629 20.642 10.062 1.00 0.89 H new ATOM 0 HA ASP A 49 -5.950 20.699 10.870 1.00 1.01 H new ATOM 0 HB2 ASP A 49 -6.904 20.629 13.047 1.00 1.20 H new ATOM 0 HB3 ASP A 49 -8.091 21.451 12.054 1.00 1.20 H new ATOM 860 N ASN A 50 -7.239 17.714 10.714 1.00 0.84 N ATOM 861 CA ASN A 50 -6.939 16.302 10.763 1.00 0.78 C ATOM 862 C ASN A 50 -5.863 15.919 9.742 1.00 0.68 C ATOM 863 O ASN A 50 -5.955 16.257 8.562 1.00 0.72 O ATOM 864 CB ASN A 50 -8.216 15.496 10.507 1.00 0.80 C ATOM 865 CG ASN A 50 -8.805 15.723 9.124 1.00 0.81 C ATOM 866 OD1 ASN A 50 -8.769 16.825 8.587 1.00 1.25 O ATOM 867 ND2 ASN A 50 -9.350 14.673 8.537 1.00 0.71 N ATOM 0 H ASN A 50 -8.177 17.927 10.376 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.551 16.072 11.755 1.00 0.78 H new ATOM 0 HB2 ASN A 50 -7.999 14.435 10.632 1.00 0.80 H new ATOM 0 HB3 ASN A 50 -8.960 15.759 11.259 1.00 0.80 H new ATOM 0 HD21 ASN A 50 -9.759 14.764 7.607 1.00 0.71 H new ATOM 0 HD22 ASN A 50 -9.362 13.771 9.014 1.00 0.71 H new ATOM 874 N PRO A 51 -4.818 15.206 10.186 1.00 0.60 N ATOM 875 CA PRO A 51 -3.777 14.692 9.297 1.00 0.54 C ATOM 876 C PRO A 51 -4.175 13.359 8.665 1.00 0.47 C ATOM 877 O PRO A 51 -3.341 12.635 8.127 1.00 0.42 O ATOM 878 CB PRO A 51 -2.589 14.510 10.237 1.00 0.55 C ATOM 879 CG PRO A 51 -3.198 14.190 11.561 1.00 0.57 C ATOM 880 CD PRO A 51 -4.550 14.865 11.597 1.00 0.61 C ATOM 0 HA PRO A 51 -3.576 15.356 8.456 1.00 0.54 H new ATOM 0 HB2 PRO A 51 -1.935 13.707 9.898 1.00 0.55 H new ATOM 0 HB3 PRO A 51 -1.983 15.414 10.288 1.00 0.55 H new ATOM 0 HG2 PRO A 51 -3.301 13.112 11.688 1.00 0.57 H new ATOM 0 HG3 PRO A 51 -2.566 14.548 12.374 1.00 0.57 H new ATOM 0 HD2 PRO A 51 -5.316 14.202 12.000 1.00 0.61 H new ATOM 0 HD3 PRO A 51 -4.535 15.755 12.227 1.00 0.61 H new ATOM 888 N GLU A 52 -5.468 13.063 8.718 1.00 0.51 N ATOM 889 CA GLU A 52 -6.008 11.817 8.198 1.00 0.50 C ATOM 890 C GLU A 52 -5.904 11.791 6.690 1.00 0.40 C ATOM 891 O GLU A 52 -5.506 10.798 6.093 1.00 0.36 O ATOM 892 CB GLU A 52 -7.473 11.699 8.580 1.00 0.63 C ATOM 893 CG GLU A 52 -8.112 10.407 8.112 1.00 0.67 C ATOM 894 CD GLU A 52 -9.587 10.344 8.424 1.00 0.82 C ATOM 895 OE1 GLU A 52 -9.944 10.203 9.613 1.00 0.97 O ATOM 896 OE2 GLU A 52 -10.399 10.435 7.481 1.00 0.99 O ATOM 0 H GLU A 52 -6.170 13.682 9.123 1.00 0.51 H new ATOM 0 HA GLU A 52 -5.438 10.989 8.620 1.00 0.50 H new ATOM 0 HB2 GLU A 52 -7.566 11.770 9.664 1.00 0.63 H new ATOM 0 HB3 GLU A 52 -8.021 12.541 8.157 1.00 0.63 H new ATOM 0 HG2 GLU A 52 -7.967 10.303 7.037 1.00 0.67 H new ATOM 0 HG3 GLU A 52 -7.608 9.564 8.585 1.00 0.67 H new ATOM 903 N ALA A 53 -6.282 12.898 6.089 1.00 0.41 N ATOM 904 CA ALA A 53 -6.250 13.036 4.651 1.00 0.34 C ATOM 905 C ALA A 53 -4.810 13.033 4.144 1.00 0.28 C ATOM 906 O ALA A 53 -4.540 12.674 3.000 1.00 0.24 O ATOM 907 CB ALA A 53 -6.984 14.300 4.265 1.00 0.41 C ATOM 0 H ALA A 53 -6.619 13.725 6.582 1.00 0.41 H new ATOM 0 HA ALA A 53 -6.750 12.188 4.183 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -6.966 14.415 3.181 1.00 0.41 H new ATOM 0 HB2 ALA A 53 -8.017 14.239 4.607 1.00 0.41 H new ATOM 0 HB3 ALA A 53 -6.498 15.159 4.729 1.00 0.41 H new ATOM 913 N ALA A 54 -3.891 13.426 5.021 1.00 0.30 N ATOM 914 CA ALA A 54 -2.462 13.331 4.750 1.00 0.29 C ATOM 915 C ALA A 54 -2.017 11.881 4.848 1.00 0.23 C ATOM 916 O ALA A 54 -1.218 11.413 4.044 1.00 0.22 O ATOM 917 CB ALA A 54 -1.687 14.190 5.734 1.00 0.36 C ATOM 0 H ALA A 54 -4.116 13.818 5.936 1.00 0.30 H new ATOM 0 HA ALA A 54 -2.263 13.694 3.742 1.00 0.29 H new ATOM 0 HB1 ALA A 54 -0.620 14.112 5.523 1.00 0.36 H new ATOM 0 HB2 ALA A 54 -2.001 15.229 5.636 1.00 0.36 H new ATOM 0 HB3 ALA A 54 -1.882 13.846 6.750 1.00 0.36 H new ATOM 923 N ASP A 55 -2.539 11.182 5.850 1.00 0.24 N ATOM 924 CA ASP A 55 -2.345 9.742 5.970 1.00 0.22 C ATOM 925 C ASP A 55 -2.869 9.051 4.724 1.00 0.17 C ATOM 926 O ASP A 55 -2.239 8.141 4.185 1.00 0.19 O ATOM 927 CB ASP A 55 -3.071 9.195 7.204 1.00 0.29 C ATOM 928 CG ASP A 55 -2.214 9.207 8.450 1.00 0.69 C ATOM 929 OD1 ASP A 55 -1.030 8.818 8.364 1.00 1.16 O ATOM 930 OD2 ASP A 55 -2.716 9.612 9.517 1.00 1.03 O ATOM 0 H ASP A 55 -3.103 11.592 6.595 1.00 0.24 H new ATOM 0 HA ASP A 55 -1.279 9.545 6.080 1.00 0.22 H new ATOM 0 HB2 ASP A 55 -3.969 9.787 7.382 1.00 0.29 H new ATOM 0 HB3 ASP A 55 -3.397 8.174 7.004 1.00 0.29 H new ATOM 935 N LYS A 56 -4.036 9.496 4.282 1.00 0.16 N ATOM 936 CA LYS A 56 -4.624 9.047 3.034 1.00 0.14 C ATOM 937 C LYS A 56 -3.694 9.308 1.873 1.00 0.12 C ATOM 938 O LYS A 56 -3.325 8.395 1.147 1.00 0.13 O ATOM 939 CB LYS A 56 -5.931 9.771 2.771 1.00 0.17 C ATOM 940 CG LYS A 56 -7.160 9.063 3.290 1.00 0.68 C ATOM 941 CD LYS A 56 -7.289 7.642 2.752 1.00 0.67 C ATOM 942 CE LYS A 56 -7.198 7.577 1.235 1.00 0.23 C ATOM 943 NZ LYS A 56 -7.332 6.179 0.746 1.00 0.63 N ATOM 0 H LYS A 56 -4.602 10.181 4.783 1.00 0.16 H new ATOM 0 HA LYS A 56 -4.802 7.976 3.125 1.00 0.14 H new ATOM 0 HB2 LYS A 56 -5.880 10.761 3.224 1.00 0.17 H new ATOM 0 HB3 LYS A 56 -6.039 9.918 1.696 1.00 0.17 H new ATOM 0 HG2 LYS A 56 -7.125 9.033 4.379 1.00 0.68 H new ATOM 0 HG3 LYS A 56 -8.047 9.634 3.015 1.00 0.68 H new ATOM 0 HD2 LYS A 56 -6.505 7.021 3.186 1.00 0.67 H new ATOM 0 HD3 LYS A 56 -8.242 7.222 3.073 1.00 0.67 H new ATOM 0 HE2 LYS A 56 -7.980 8.195 0.795 1.00 0.23 H new ATOM 0 HE3 LYS A 56 -6.244 7.989 0.908 1.00 0.23 H new ATOM 0 HZ1 LYS A 56 -7.132 6.147 -0.274 1.00 0.63 H new ATOM 0 HZ2 LYS A 56 -6.658 5.569 1.250 1.00 0.63 H new ATOM 0 HZ3 LYS A 56 -8.301 5.842 0.919 1.00 0.63 H new ATOM 957 N PHE A 57 -3.346 10.565 1.680 1.00 0.12 N ATOM 958 CA PHE A 57 -2.422 10.926 0.617 1.00 0.12 C ATOM 959 C PHE A 57 -1.160 10.082 0.685 1.00 0.12 C ATOM 960 O PHE A 57 -0.666 9.609 -0.333 1.00 0.15 O ATOM 961 CB PHE A 57 -2.051 12.404 0.654 1.00 0.15 C ATOM 962 CG PHE A 57 -1.287 12.802 -0.569 1.00 0.19 C ATOM 963 CD1 PHE A 57 -1.942 13.205 -1.719 1.00 0.46 C ATOM 964 CD2 PHE A 57 0.092 12.811 -0.549 1.00 0.68 C ATOM 965 CE1 PHE A 57 -1.231 13.611 -2.831 1.00 0.46 C ATOM 966 CE2 PHE A 57 0.811 13.208 -1.654 1.00 0.74 C ATOM 967 CZ PHE A 57 0.108 13.467 -2.873 1.00 0.37 C ATOM 0 H PHE A 57 -3.684 11.349 2.238 1.00 0.12 H new ATOM 0 HA PHE A 57 -2.937 10.731 -0.324 1.00 0.12 H new ATOM 0 HB2 PHE A 57 -2.956 13.007 0.733 1.00 0.15 H new ATOM 0 HB3 PHE A 57 -1.453 12.609 1.542 1.00 0.15 H new ATOM 0 HD1 PHE A 57 -3.022 13.202 -1.747 1.00 0.46 H new ATOM 0 HD2 PHE A 57 0.614 12.503 0.345 1.00 0.68 H new ATOM 0 HE1 PHE A 57 -1.751 14.046 -3.672 1.00 0.46 H new ATOM 0 HE2 PHE A 57 1.884 13.322 -1.602 1.00 0.74 H new ATOM 0 HZ PHE A 57 0.641 13.546 -3.809 1.00 0.37 H new ATOM 977 N LYS A 58 -0.667 9.892 1.891 1.00 0.12 N ATOM 978 CA LYS A 58 0.515 9.090 2.137 1.00 0.13 C ATOM 979 C LYS A 58 0.358 7.683 1.578 1.00 0.11 C ATOM 980 O LYS A 58 1.234 7.193 0.874 1.00 0.14 O ATOM 981 CB LYS A 58 0.755 9.032 3.634 1.00 0.18 C ATOM 982 CG LYS A 58 2.021 8.312 4.047 1.00 0.26 C ATOM 983 CD LYS A 58 2.133 8.258 5.558 1.00 0.37 C ATOM 984 CE LYS A 58 1.873 9.623 6.170 1.00 0.44 C ATOM 985 NZ LYS A 58 2.932 10.600 5.803 1.00 1.31 N ATOM 0 H LYS A 58 -1.078 10.292 2.735 1.00 0.12 H new ATOM 0 HA LYS A 58 1.366 9.548 1.634 1.00 0.13 H new ATOM 0 HB2 LYS A 58 0.790 10.050 4.022 1.00 0.18 H new ATOM 0 HB3 LYS A 58 -0.096 8.540 4.105 1.00 0.18 H new ATOM 0 HG2 LYS A 58 2.020 7.301 3.640 1.00 0.26 H new ATOM 0 HG3 LYS A 58 2.889 8.823 3.630 1.00 0.26 H new ATOM 0 HD2 LYS A 58 1.419 7.536 5.954 1.00 0.37 H new ATOM 0 HD3 LYS A 58 3.127 7.912 5.841 1.00 0.37 H new ATOM 0 HE2 LYS A 58 0.904 9.993 5.835 1.00 0.44 H new ATOM 0 HE3 LYS A 58 1.822 9.532 7.255 1.00 0.44 H new ATOM 0 HZ1 LYS A 58 2.749 11.506 6.280 1.00 1.31 H new ATOM 0 HZ2 LYS A 58 3.859 10.234 6.099 1.00 1.31 H new ATOM 0 HZ3 LYS A 58 2.930 10.744 4.773 1.00 1.31 H new ATOM 999 N GLU A 59 -0.762 7.042 1.884 1.00 0.09 N ATOM 1000 CA GLU A 59 -0.999 5.683 1.422 1.00 0.09 C ATOM 1001 C GLU A 59 -1.265 5.640 -0.088 1.00 0.08 C ATOM 1002 O GLU A 59 -0.868 4.685 -0.753 1.00 0.09 O ATOM 1003 CB GLU A 59 -2.129 5.021 2.215 1.00 0.10 C ATOM 1004 CG GLU A 59 -3.379 5.858 2.324 1.00 0.12 C ATOM 1005 CD GLU A 59 -4.483 5.191 3.113 1.00 0.15 C ATOM 1006 OE1 GLU A 59 -4.284 4.924 4.318 1.00 0.25 O ATOM 1007 OE2 GLU A 59 -5.566 4.954 2.537 1.00 0.16 O ATOM 0 H GLU A 59 -1.515 7.438 2.446 1.00 0.09 H new ATOM 0 HA GLU A 59 -0.091 5.108 1.603 1.00 0.09 H new ATOM 0 HB2 GLU A 59 -2.381 4.071 1.743 1.00 0.10 H new ATOM 0 HB3 GLU A 59 -1.769 4.793 3.218 1.00 0.10 H new ATOM 0 HG2 GLU A 59 -3.130 6.809 2.795 1.00 0.12 H new ATOM 0 HG3 GLU A 59 -3.744 6.084 1.322 1.00 0.12 H new ATOM 1014 N ILE A 60 -1.918 6.674 -0.631 1.00 0.07 N ATOM 1015 CA ILE A 60 -2.085 6.791 -2.088 1.00 0.09 C ATOM 1016 C ILE A 60 -0.716 6.899 -2.738 1.00 0.11 C ATOM 1017 O ILE A 60 -0.358 6.130 -3.631 1.00 0.14 O ATOM 1018 CB ILE A 60 -2.857 8.061 -2.515 1.00 0.10 C ATOM 1019 CG1 ILE A 60 -4.112 8.281 -1.683 1.00 0.10 C ATOM 1020 CG2 ILE A 60 -3.230 7.984 -3.983 1.00 0.14 C ATOM 1021 CD1 ILE A 60 -4.683 9.675 -1.846 1.00 0.11 C ATOM 0 H ILE A 60 -2.335 7.434 -0.093 1.00 0.07 H new ATOM 0 HA ILE A 60 -2.644 5.909 -2.399 1.00 0.09 H new ATOM 0 HB ILE A 60 -2.192 8.908 -2.346 1.00 0.10 H new ATOM 0 HG12 ILE A 60 -4.866 7.548 -1.969 1.00 0.10 H new ATOM 0 HG13 ILE A 60 -3.882 8.108 -0.632 1.00 0.10 H new ATOM 0 HG21 ILE A 60 -3.773 8.885 -4.268 1.00 0.14 H new ATOM 0 HG22 ILE A 60 -2.325 7.900 -4.584 1.00 0.14 H new ATOM 0 HG23 ILE A 60 -3.861 7.111 -4.153 1.00 0.14 H new ATOM 0 HD11 ILE A 60 -5.577 9.776 -1.230 1.00 0.11 H new ATOM 0 HD12 ILE A 60 -3.942 10.411 -1.534 1.00 0.11 H new ATOM 0 HD13 ILE A 60 -4.942 9.842 -2.892 1.00 0.11 H new ATOM 1033 N ASN A 61 0.032 7.883 -2.256 1.00 0.12 N ATOM 1034 CA ASN A 61 1.358 8.198 -2.757 1.00 0.17 C ATOM 1035 C ASN A 61 2.281 6.995 -2.611 1.00 0.19 C ATOM 1036 O ASN A 61 3.119 6.733 -3.475 1.00 0.33 O ATOM 1037 CB ASN A 61 1.908 9.415 -1.995 1.00 0.22 C ATOM 1038 CG ASN A 61 3.252 9.883 -2.512 1.00 0.31 C ATOM 1039 OD1 ASN A 61 3.334 10.617 -3.497 1.00 0.55 O ATOM 1040 ND2 ASN A 61 4.311 9.498 -1.826 1.00 0.59 N ATOM 0 H ASN A 61 -0.272 8.491 -1.496 1.00 0.12 H new ATOM 0 HA ASN A 61 1.301 8.442 -3.818 1.00 0.17 H new ATOM 0 HB2 ASN A 61 1.193 10.234 -2.067 1.00 0.22 H new ATOM 0 HB3 ASN A 61 2.000 9.163 -0.938 1.00 0.22 H new ATOM 0 HD21 ASN A 61 5.241 9.809 -2.106 1.00 0.59 H new ATOM 0 HD22 ASN A 61 4.200 8.889 -1.015 1.00 0.59 H new ATOM 1047 N ASN A 62 2.095 6.252 -1.527 1.00 0.11 N ATOM 1048 CA ASN A 62 2.871 5.047 -1.283 1.00 0.13 C ATOM 1049 C ASN A 62 2.483 3.964 -2.277 1.00 0.12 C ATOM 1050 O ASN A 62 3.320 3.502 -3.049 1.00 0.16 O ATOM 1051 CB ASN A 62 2.664 4.544 0.147 1.00 0.20 C ATOM 1052 CG ASN A 62 3.759 3.591 0.580 1.00 0.38 C ATOM 1053 OD1 ASN A 62 4.908 3.719 0.163 1.00 0.95 O ATOM 1054 ND2 ASN A 62 3.415 2.627 1.415 1.00 0.38 N ATOM 0 H ASN A 62 1.410 6.466 -0.802 1.00 0.11 H new ATOM 0 HA ASN A 62 3.926 5.289 -1.412 1.00 0.13 H new ATOM 0 HB2 ASN A 62 2.633 5.394 0.829 1.00 0.20 H new ATOM 0 HB3 ASN A 62 1.699 4.043 0.218 1.00 0.20 H new ATOM 0 HD21 ASN A 62 4.114 1.957 1.736 1.00 0.38 H new ATOM 0 HD22 ASN A 62 2.451 2.553 1.739 1.00 0.38 H new ATOM 1061 N ALA A 63 1.202 3.589 -2.276 1.00 0.10 N ATOM 1062 CA ALA A 63 0.687 2.536 -3.155 1.00 0.09 C ATOM 1063 C ALA A 63 1.075 2.786 -4.605 1.00 0.09 C ATOM 1064 O ALA A 63 1.387 1.850 -5.345 1.00 0.12 O ATOM 1065 CB ALA A 63 -0.824 2.438 -3.025 1.00 0.10 C ATOM 0 H ALA A 63 0.495 4.004 -1.669 1.00 0.10 H new ATOM 0 HA ALA A 63 1.135 1.591 -2.846 1.00 0.09 H new ATOM 0 HB1 ALA A 63 -1.196 1.652 -3.683 1.00 0.10 H new ATOM 0 HB2 ALA A 63 -1.086 2.202 -1.994 1.00 0.10 H new ATOM 0 HB3 ALA A 63 -1.276 3.390 -3.305 1.00 0.10 H new ATOM 1071 N HIS A 64 1.060 4.056 -4.988 1.00 0.09 N ATOM 1072 CA HIS A 64 1.476 4.486 -6.315 1.00 0.14 C ATOM 1073 C HIS A 64 2.843 3.917 -6.686 1.00 0.18 C ATOM 1074 O HIS A 64 3.059 3.500 -7.821 1.00 0.27 O ATOM 1075 CB HIS A 64 1.513 6.016 -6.357 1.00 0.19 C ATOM 1076 CG HIS A 64 2.172 6.592 -7.575 1.00 0.34 C ATOM 1077 ND1 HIS A 64 3.310 7.365 -7.513 1.00 1.07 N ATOM 1078 CD2 HIS A 64 1.839 6.523 -8.884 1.00 1.29 C ATOM 1079 CE1 HIS A 64 3.646 7.746 -8.729 1.00 0.97 C ATOM 1080 NE2 HIS A 64 2.770 7.249 -9.582 1.00 1.16 N ATOM 0 H HIS A 64 0.757 4.820 -4.384 1.00 0.09 H new ATOM 0 HA HIS A 64 0.757 4.110 -7.043 1.00 0.14 H new ATOM 0 HB2 HIS A 64 0.492 6.393 -6.300 1.00 0.19 H new ATOM 0 HB3 HIS A 64 2.036 6.378 -5.472 1.00 0.19 H new ATOM 0 HD2 HIS A 64 0.996 5.994 -9.302 1.00 1.29 H new ATOM 0 HE1 HIS A 64 4.496 8.362 -8.985 1.00 0.97 H new ATOM 0 HE2 HIS A 64 2.783 7.383 -10.593 1.00 1.16 H new ATOM 1089 N ALA A 65 3.756 3.909 -5.731 1.00 0.19 N ATOM 1090 CA ALA A 65 5.102 3.428 -5.973 1.00 0.25 C ATOM 1091 C ALA A 65 5.220 1.941 -5.662 1.00 0.25 C ATOM 1092 O ALA A 65 6.016 1.239 -6.275 1.00 0.45 O ATOM 1093 CB ALA A 65 6.101 4.225 -5.149 1.00 0.33 C ATOM 0 H ALA A 65 3.588 4.232 -4.778 1.00 0.19 H new ATOM 0 HA ALA A 65 5.327 3.567 -7.030 1.00 0.25 H new ATOM 0 HB1 ALA A 65 7.108 3.854 -5.340 1.00 0.33 H new ATOM 0 HB2 ALA A 65 6.044 5.278 -5.426 1.00 0.33 H new ATOM 0 HB3 ALA A 65 5.869 4.115 -4.090 1.00 0.33 H new ATOM 1099 N ILE A 66 4.420 1.474 -4.708 1.00 0.16 N ATOM 1100 CA ILE A 66 4.502 0.094 -4.229 1.00 0.14 C ATOM 1101 C ILE A 66 4.111 -0.913 -5.304 1.00 0.13 C ATOM 1102 O ILE A 66 4.913 -1.760 -5.699 1.00 0.16 O ATOM 1103 CB ILE A 66 3.590 -0.152 -3.000 1.00 0.14 C ATOM 1104 CG1 ILE A 66 3.832 0.884 -1.902 1.00 0.18 C ATOM 1105 CG2 ILE A 66 3.797 -1.555 -2.449 1.00 0.17 C ATOM 1106 CD1 ILE A 66 5.284 1.099 -1.560 1.00 0.22 C ATOM 0 H ILE A 66 3.702 2.034 -4.248 1.00 0.16 H new ATOM 0 HA ILE A 66 5.546 -0.049 -3.951 1.00 0.14 H new ATOM 0 HB ILE A 66 2.558 -0.052 -3.336 1.00 0.14 H new ATOM 0 HG12 ILE A 66 3.400 1.835 -2.214 1.00 0.18 H new ATOM 0 HG13 ILE A 66 3.301 0.573 -1.002 1.00 0.18 H new ATOM 0 HG21 ILE A 66 3.147 -1.707 -1.587 1.00 0.17 H new ATOM 0 HG22 ILE A 66 3.555 -2.288 -3.219 1.00 0.17 H new ATOM 0 HG23 ILE A 66 4.837 -1.677 -2.146 1.00 0.17 H new ATOM 0 HD11 ILE A 66 5.365 1.849 -0.773 1.00 0.22 H new ATOM 0 HD12 ILE A 66 5.719 0.161 -1.214 1.00 0.22 H new ATOM 0 HD13 ILE A 66 5.819 1.443 -2.445 1.00 0.22 H new ATOM 1118 N LEU A 67 2.878 -0.807 -5.785 1.00 0.12 N ATOM 1119 CA LEU A 67 2.285 -1.866 -6.599 1.00 0.15 C ATOM 1120 C LEU A 67 2.943 -1.979 -7.973 1.00 0.19 C ATOM 1121 O LEU A 67 2.935 -3.051 -8.580 1.00 0.26 O ATOM 1122 CB LEU A 67 0.772 -1.660 -6.758 1.00 0.15 C ATOM 1123 CG LEU A 67 -0.091 -1.795 -5.491 1.00 0.13 C ATOM 1124 CD1 LEU A 67 0.708 -2.309 -4.304 1.00 0.14 C ATOM 1125 CD2 LEU A 67 -0.756 -0.471 -5.156 1.00 0.11 C ATOM 0 H LEU A 67 2.270 -0.003 -5.628 1.00 0.12 H new ATOM 0 HA LEU A 67 2.463 -2.801 -6.068 1.00 0.15 H new ATOM 0 HB2 LEU A 67 0.608 -0.666 -7.175 1.00 0.15 H new ATOM 0 HB3 LEU A 67 0.408 -2.378 -7.493 1.00 0.15 H new ATOM 0 HG LEU A 67 -0.863 -2.535 -5.703 1.00 0.13 H new ATOM 0 HD11 LEU A 67 0.057 -2.388 -3.434 1.00 0.14 H new ATOM 0 HD12 LEU A 67 1.119 -3.291 -4.540 1.00 0.14 H new ATOM 0 HD13 LEU A 67 1.522 -1.618 -4.087 1.00 0.14 H new ATOM 0 HD21 LEU A 67 -1.362 -0.585 -4.257 1.00 0.11 H new ATOM 0 HD22 LEU A 67 0.008 0.287 -4.984 1.00 0.11 H new ATOM 0 HD23 LEU A 67 -1.392 -0.163 -5.986 1.00 0.11 H new ATOM 1137 N THR A 68 3.515 -0.888 -8.465 1.00 0.20 N ATOM 1138 CA THR A 68 4.178 -0.911 -9.761 1.00 0.24 C ATOM 1139 C THR A 68 5.703 -0.941 -9.591 1.00 0.30 C ATOM 1140 O THR A 68 6.456 -0.594 -10.500 1.00 0.46 O ATOM 1141 CB THR A 68 3.741 0.283 -10.647 1.00 0.22 C ATOM 1142 OG1 THR A 68 4.353 0.202 -11.940 1.00 0.27 O ATOM 1143 CG2 THR A 68 4.096 1.606 -10.002 1.00 0.23 C ATOM 0 H THR A 68 3.533 0.015 -7.992 1.00 0.20 H new ATOM 0 HA THR A 68 3.873 -1.824 -10.272 1.00 0.24 H new ATOM 0 HB THR A 68 2.658 0.229 -10.756 1.00 0.22 H new ATOM 0 HG1 THR A 68 5.290 -0.069 -11.842 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.776 2.423 -10.648 1.00 0.23 H new ATOM 0 HG22 THR A 68 3.593 1.688 -9.038 1.00 0.23 H new ATOM 0 HG23 THR A 68 5.175 1.661 -9.854 1.00 0.23 H new ATOM 1151 N ASP A 69 6.145 -1.363 -8.412 1.00 0.26 N ATOM 1152 CA ASP A 69 7.565 -1.566 -8.145 1.00 0.31 C ATOM 1153 C ASP A 69 7.850 -3.057 -8.058 1.00 0.38 C ATOM 1154 O ASP A 69 6.928 -3.856 -7.919 1.00 0.50 O ATOM 1155 CB ASP A 69 7.976 -0.885 -6.835 1.00 0.31 C ATOM 1156 CG ASP A 69 9.460 -1.006 -6.553 1.00 0.45 C ATOM 1157 OD1 ASP A 69 10.254 -0.411 -7.303 1.00 0.54 O ATOM 1158 OD2 ASP A 69 9.834 -1.685 -5.574 1.00 0.68 O ATOM 0 H ASP A 69 5.536 -1.573 -7.621 1.00 0.26 H new ATOM 0 HA ASP A 69 8.142 -1.124 -8.957 1.00 0.31 H new ATOM 0 HB2 ASP A 69 7.703 0.169 -6.877 1.00 0.31 H new ATOM 0 HB3 ASP A 69 7.417 -1.326 -6.010 1.00 0.31 H new ATOM 1163 N ALA A 70 9.110 -3.439 -8.152 1.00 0.52 N ATOM 1164 CA ALA A 70 9.480 -4.835 -8.000 1.00 0.62 C ATOM 1165 C ALA A 70 9.637 -5.198 -6.534 1.00 0.57 C ATOM 1166 O ALA A 70 9.114 -6.212 -6.083 1.00 0.59 O ATOM 1167 CB ALA A 70 10.765 -5.139 -8.741 1.00 0.79 C ATOM 0 H ALA A 70 9.891 -2.807 -8.332 1.00 0.52 H new ATOM 0 HA ALA A 70 8.677 -5.435 -8.428 1.00 0.62 H new ATOM 0 HB1 ALA A 70 11.020 -6.191 -8.611 1.00 0.79 H new ATOM 0 HB2 ALA A 70 10.632 -4.926 -9.802 1.00 0.79 H new ATOM 0 HB3 ALA A 70 11.569 -4.519 -8.344 1.00 0.79 H new ATOM 1173 N THR A 71 10.325 -4.343 -5.788 1.00 0.56 N ATOM 1174 CA THR A 71 10.703 -4.650 -4.419 1.00 0.57 C ATOM 1175 C THR A 71 9.560 -4.398 -3.450 1.00 0.48 C ATOM 1176 O THR A 71 9.254 -5.238 -2.608 1.00 0.51 O ATOM 1177 CB THR A 71 11.920 -3.822 -3.976 1.00 0.66 C ATOM 1178 OG1 THR A 71 13.072 -4.181 -4.752 1.00 0.78 O ATOM 1179 CG2 THR A 71 12.194 -4.037 -2.499 1.00 0.72 C ATOM 0 H THR A 71 10.633 -3.427 -6.113 1.00 0.56 H new ATOM 0 HA THR A 71 10.958 -5.710 -4.400 1.00 0.57 H new ATOM 0 HB THR A 71 11.702 -2.767 -4.140 1.00 0.66 H new ATOM 0 HG1 THR A 71 13.841 -3.646 -4.463 1.00 0.78 H new ATOM 0 HG21 THR A 71 13.058 -3.445 -2.199 1.00 0.72 H new ATOM 0 HG22 THR A 71 11.324 -3.729 -1.919 1.00 0.72 H new ATOM 0 HG23 THR A 71 12.397 -5.092 -2.316 1.00 0.72 H new ATOM 1187 N LYS A 72 8.932 -3.243 -3.572 1.00 0.41 N ATOM 1188 CA LYS A 72 7.864 -2.857 -2.666 1.00 0.37 C ATOM 1189 C LYS A 72 6.612 -3.699 -2.906 1.00 0.36 C ATOM 1190 O LYS A 72 5.755 -3.835 -2.038 1.00 0.41 O ATOM 1191 CB LYS A 72 7.602 -1.360 -2.798 1.00 0.35 C ATOM 1192 CG LYS A 72 8.716 -0.534 -2.168 1.00 0.47 C ATOM 1193 CD LYS A 72 8.646 0.938 -2.541 1.00 0.71 C ATOM 1194 CE LYS A 72 8.896 1.155 -4.020 1.00 0.52 C ATOM 1195 NZ LYS A 72 9.009 2.598 -4.354 1.00 1.14 N ATOM 0 H LYS A 72 9.144 -2.553 -4.293 1.00 0.41 H new ATOM 0 HA LYS A 72 8.168 -3.052 -1.637 1.00 0.37 H new ATOM 0 HB2 LYS A 72 7.507 -1.099 -3.852 1.00 0.35 H new ATOM 0 HB3 LYS A 72 6.653 -1.114 -2.322 1.00 0.35 H new ATOM 0 HG2 LYS A 72 8.665 -0.631 -1.084 1.00 0.47 H new ATOM 0 HG3 LYS A 72 9.680 -0.937 -2.479 1.00 0.47 H new ATOM 0 HD2 LYS A 72 7.666 1.334 -2.276 1.00 0.71 H new ATOM 0 HD3 LYS A 72 9.382 1.495 -1.962 1.00 0.71 H new ATOM 0 HE2 LYS A 72 9.812 0.641 -4.313 1.00 0.52 H new ATOM 0 HE3 LYS A 72 8.083 0.711 -4.595 1.00 0.52 H new ATOM 0 HZ1 LYS A 72 8.874 2.729 -5.377 1.00 1.14 H new ATOM 0 HZ2 LYS A 72 8.281 3.132 -3.837 1.00 1.14 H new ATOM 0 HZ3 LYS A 72 9.951 2.945 -4.082 1.00 1.14 H new ATOM 1209 N ARG A 73 6.553 -4.301 -4.078 1.00 0.37 N ATOM 1210 CA ARG A 73 5.523 -5.281 -4.403 1.00 0.45 C ATOM 1211 C ARG A 73 5.993 -6.655 -3.952 1.00 0.52 C ATOM 1212 O ARG A 73 5.199 -7.537 -3.620 1.00 0.60 O ATOM 1213 CB ARG A 73 5.253 -5.250 -5.914 1.00 0.53 C ATOM 1214 CG ARG A 73 4.627 -6.511 -6.488 1.00 0.74 C ATOM 1215 CD ARG A 73 3.144 -6.624 -6.177 1.00 0.63 C ATOM 1216 NE ARG A 73 2.588 -7.863 -6.717 1.00 1.39 N ATOM 1217 CZ ARG A 73 1.618 -7.922 -7.633 1.00 1.89 C ATOM 1218 NH1 ARG A 73 1.063 -6.810 -8.101 1.00 1.74 N ATOM 1219 NH2 ARG A 73 1.201 -9.103 -8.075 1.00 2.78 N ATOM 0 H ARG A 73 7.215 -4.128 -4.834 1.00 0.37 H new ATOM 0 HA ARG A 73 4.592 -5.046 -3.887 1.00 0.45 H new ATOM 0 HB2 ARG A 73 4.597 -4.407 -6.132 1.00 0.53 H new ATOM 0 HB3 ARG A 73 6.194 -5.064 -6.431 1.00 0.53 H new ATOM 0 HG2 ARG A 73 4.769 -6.523 -7.569 1.00 0.74 H new ATOM 0 HG3 ARG A 73 5.145 -7.383 -6.089 1.00 0.74 H new ATOM 0 HD2 ARG A 73 2.992 -6.593 -5.098 1.00 0.63 H new ATOM 0 HD3 ARG A 73 2.614 -5.770 -6.598 1.00 0.63 H new ATOM 0 HE ARG A 73 2.967 -8.744 -6.370 1.00 1.39 H new ATOM 0 HH11 ARG A 73 1.377 -5.901 -7.761 1.00 1.74 H new ATOM 0 HH12 ARG A 73 0.323 -6.865 -8.801 1.00 1.74 H new ATOM 0 HH21 ARG A 73 1.621 -9.960 -7.715 1.00 2.78 H new ATOM 0 HH22 ARG A 73 0.460 -9.153 -8.775 1.00 2.78 H new ATOM 1233 N ASN A 74 7.304 -6.807 -3.922 1.00 0.53 N ATOM 1234 CA ASN A 74 7.940 -8.041 -3.498 1.00 0.63 C ATOM 1235 C ASN A 74 7.675 -8.308 -2.020 1.00 0.63 C ATOM 1236 O ASN A 74 6.948 -9.238 -1.677 1.00 0.68 O ATOM 1237 CB ASN A 74 9.449 -7.964 -3.750 1.00 0.68 C ATOM 1238 CG ASN A 74 10.188 -9.206 -3.302 1.00 0.78 C ATOM 1239 OD1 ASN A 74 10.582 -9.220 -2.044 1.00 0.87 O flip ATOM 1240 ND2 ASN A 74 10.396 -10.139 -4.076 1.00 0.79 N flip ATOM 0 H ASN A 74 7.961 -6.075 -4.192 1.00 0.53 H new ATOM 0 HA ASN A 74 7.518 -8.862 -4.078 1.00 0.63 H new ATOM 0 HB2 ASN A 74 9.626 -7.806 -4.814 1.00 0.68 H new ATOM 0 HB3 ASN A 74 9.855 -7.098 -3.227 1.00 0.68 H new ATOM 0 HD21 ASN A 74 10.072 -10.083 -5.041 1.00 0.79 H new ATOM 0 HD22 ASN A 74 10.893 -10.969 -3.752 1.00 0.79 H new ATOM 1247 N ILE A 75 8.234 -7.470 -1.143 1.00 0.60 N ATOM 1248 CA ILE A 75 8.157 -7.724 0.297 1.00 0.64 C ATOM 1249 C ILE A 75 6.720 -7.698 0.782 1.00 0.62 C ATOM 1250 O ILE A 75 6.405 -8.309 1.790 1.00 0.67 O ATOM 1251 CB ILE A 75 8.992 -6.742 1.162 1.00 0.68 C ATOM 1252 CG1 ILE A 75 8.316 -5.369 1.309 1.00 0.63 C ATOM 1253 CG2 ILE A 75 10.392 -6.591 0.601 1.00 0.72 C ATOM 1254 CD1 ILE A 75 8.039 -4.662 0.013 1.00 0.54 C ATOM 0 H ILE A 75 8.738 -6.621 -1.400 1.00 0.60 H new ATOM 0 HA ILE A 75 8.588 -8.717 0.425 1.00 0.64 H new ATOM 0 HB ILE A 75 9.057 -7.174 2.161 1.00 0.68 H new ATOM 0 HG12 ILE A 75 7.375 -5.498 1.845 1.00 0.63 H new ATOM 0 HG13 ILE A 75 8.949 -4.732 1.926 1.00 0.63 H new ATOM 0 HG21 ILE A 75 10.960 -5.899 1.222 1.00 0.72 H new ATOM 0 HG22 ILE A 75 10.888 -7.562 0.593 1.00 0.72 H new ATOM 0 HG23 ILE A 75 10.336 -6.204 -0.416 1.00 0.72 H new ATOM 0 HD11 ILE A 75 7.562 -3.703 0.216 1.00 0.54 H new ATOM 0 HD12 ILE A 75 8.976 -4.495 -0.518 1.00 0.54 H new ATOM 0 HD13 ILE A 75 7.378 -5.273 -0.601 1.00 0.54 H new ATOM 1266 N TYR A 76 5.860 -6.992 0.053 1.00 0.56 N ATOM 1267 CA TYR A 76 4.441 -6.934 0.369 1.00 0.58 C ATOM 1268 C TYR A 76 3.854 -8.341 0.440 1.00 0.63 C ATOM 1269 O TYR A 76 3.104 -8.677 1.357 1.00 0.68 O ATOM 1270 CB TYR A 76 3.711 -6.096 -0.691 1.00 0.55 C ATOM 1271 CG TYR A 76 2.257 -6.467 -0.870 1.00 0.61 C ATOM 1272 CD1 TYR A 76 1.892 -7.437 -1.792 1.00 0.66 C ATOM 1273 CD2 TYR A 76 1.259 -5.870 -0.112 1.00 0.69 C ATOM 1274 CE1 TYR A 76 0.574 -7.805 -1.957 1.00 0.77 C ATOM 1275 CE2 TYR A 76 -0.066 -6.228 -0.272 1.00 0.79 C ATOM 1276 CZ TYR A 76 -0.404 -7.198 -1.194 1.00 0.82 C ATOM 1277 OH TYR A 76 -1.722 -7.559 -1.352 1.00 0.95 O ATOM 0 H TYR A 76 6.127 -6.448 -0.768 1.00 0.56 H new ATOM 0 HA TYR A 76 4.310 -6.463 1.343 1.00 0.58 H new ATOM 0 HB2 TYR A 76 3.776 -5.043 -0.416 1.00 0.55 H new ATOM 0 HB3 TYR A 76 4.225 -6.208 -1.646 1.00 0.55 H new ATOM 0 HD1 TYR A 76 2.654 -7.912 -2.391 1.00 0.66 H new ATOM 0 HD2 TYR A 76 1.522 -5.115 0.614 1.00 0.69 H new ATOM 0 HE1 TYR A 76 0.308 -8.563 -2.678 1.00 0.77 H new ATOM 0 HE2 TYR A 76 -0.833 -5.752 0.321 1.00 0.79 H new ATOM 0 HH TYR A 76 -2.132 -7.003 -2.047 1.00 0.95 H new ATOM 1287 N ASP A 77 4.226 -9.160 -0.529 1.00 0.66 N ATOM 1288 CA ASP A 77 3.712 -10.520 -0.624 1.00 0.74 C ATOM 1289 C ASP A 77 4.474 -11.448 0.317 1.00 0.79 C ATOM 1290 O ASP A 77 3.955 -12.475 0.759 1.00 0.88 O ATOM 1291 CB ASP A 77 3.807 -11.009 -2.072 1.00 0.80 C ATOM 1292 CG ASP A 77 3.398 -12.459 -2.242 1.00 0.93 C ATOM 1293 OD1 ASP A 77 4.266 -13.346 -2.097 1.00 0.98 O ATOM 1294 OD2 ASP A 77 2.205 -12.724 -2.499 1.00 1.02 O ATOM 0 H ASP A 77 4.885 -8.907 -1.265 1.00 0.66 H new ATOM 0 HA ASP A 77 2.665 -10.527 -0.322 1.00 0.74 H new ATOM 0 HB2 ASP A 77 3.174 -10.384 -2.702 1.00 0.80 H new ATOM 0 HB3 ASP A 77 4.831 -10.884 -2.424 1.00 0.80 H new ATOM 1299 N LYS A 78 5.703 -11.067 0.638 1.00 0.76 N ATOM 1300 CA LYS A 78 6.531 -11.853 1.549 1.00 0.84 C ATOM 1301 C LYS A 78 6.113 -11.612 3.000 1.00 0.87 C ATOM 1302 O LYS A 78 5.662 -12.526 3.691 1.00 0.94 O ATOM 1303 CB LYS A 78 8.020 -11.502 1.385 1.00 0.87 C ATOM 1304 CG LYS A 78 8.781 -12.304 0.326 1.00 1.03 C ATOM 1305 CD LYS A 78 8.576 -11.789 -1.091 1.00 1.06 C ATOM 1306 CE LYS A 78 7.286 -12.286 -1.718 1.00 0.97 C ATOM 1307 NZ LYS A 78 7.269 -13.760 -1.891 1.00 1.25 N ATOM 0 H LYS A 78 6.150 -10.221 0.283 1.00 0.76 H new ATOM 0 HA LYS A 78 6.386 -12.904 1.300 1.00 0.84 H new ATOM 0 HB2 LYS A 78 8.099 -10.443 1.138 1.00 0.87 H new ATOM 0 HB3 LYS A 78 8.515 -11.643 2.346 1.00 0.87 H new ATOM 0 HG2 LYS A 78 9.845 -12.283 0.561 1.00 1.03 H new ATOM 0 HG3 LYS A 78 8.465 -13.346 0.374 1.00 1.03 H new ATOM 0 HD2 LYS A 78 8.572 -10.699 -1.079 1.00 1.06 H new ATOM 0 HD3 LYS A 78 9.418 -12.098 -1.710 1.00 1.06 H new ATOM 0 HE2 LYS A 78 6.444 -11.987 -1.094 1.00 0.97 H new ATOM 0 HE3 LYS A 78 7.150 -11.808 -2.688 1.00 0.97 H new ATOM 0 HZ1 LYS A 78 6.545 -14.019 -2.592 1.00 1.25 H new ATOM 0 HZ2 LYS A 78 8.201 -14.082 -2.221 1.00 1.25 H new ATOM 0 HZ3 LYS A 78 7.049 -14.214 -0.982 1.00 1.25 H new ATOM 1321 N TYR A 79 6.241 -10.368 3.441 1.00 0.84 N ATOM 1322 CA TYR A 79 5.932 -9.989 4.816 1.00 0.92 C ATOM 1323 C TYR A 79 5.038 -8.749 4.835 1.00 0.86 C ATOM 1324 O TYR A 79 3.932 -8.769 5.372 1.00 0.95 O ATOM 1325 CB TYR A 79 7.224 -9.733 5.602 1.00 1.03 C ATOM 1326 CG TYR A 79 8.057 -10.975 5.831 1.00 1.26 C ATOM 1327 CD1 TYR A 79 7.837 -11.784 6.939 1.00 1.56 C ATOM 1328 CD2 TYR A 79 9.058 -11.342 4.940 1.00 1.45 C ATOM 1329 CE1 TYR A 79 8.591 -12.921 7.153 1.00 1.94 C ATOM 1330 CE2 TYR A 79 9.816 -12.479 5.147 1.00 1.84 C ATOM 1331 CZ TYR A 79 9.578 -13.265 6.254 1.00 2.05 C ATOM 1332 OH TYR A 79 10.330 -14.398 6.466 1.00 2.51 O ATOM 0 H TYR A 79 6.561 -9.594 2.859 1.00 0.84 H new ATOM 0 HA TYR A 79 5.396 -10.810 5.293 1.00 0.92 H new ATOM 0 HB2 TYR A 79 7.825 -8.998 5.066 1.00 1.03 H new ATOM 0 HB3 TYR A 79 6.970 -9.294 6.567 1.00 1.03 H new ATOM 0 HD1 TYR A 79 7.063 -11.519 7.645 1.00 1.56 H new ATOM 0 HD2 TYR A 79 9.247 -10.729 4.071 1.00 1.45 H new ATOM 0 HE1 TYR A 79 8.408 -13.538 8.021 1.00 1.94 H new ATOM 0 HE2 TYR A 79 10.591 -12.750 4.445 1.00 1.84 H new ATOM 0 HH TYR A 79 10.981 -14.499 5.741 1.00 2.51 H new ATOM 1342 N GLY A 80 5.539 -7.671 4.242 1.00 0.78 N ATOM 1343 CA GLY A 80 4.723 -6.493 4.002 1.00 0.82 C ATOM 1344 C GLY A 80 4.835 -5.421 5.067 1.00 0.95 C ATOM 1345 O GLY A 80 4.983 -4.249 4.735 1.00 1.06 O ATOM 0 H GLY A 80 6.504 -7.591 3.921 1.00 0.78 H new ATOM 0 HA2 GLY A 80 5.003 -6.062 3.041 1.00 0.82 H new ATOM 0 HA3 GLY A 80 3.680 -6.800 3.922 1.00 0.82 H new ATOM 1349 N SER A 81 4.816 -5.799 6.335 1.00 1.00 N ATOM 1350 CA SER A 81 4.866 -4.804 7.398 1.00 1.14 C ATOM 1351 C SER A 81 6.294 -4.315 7.575 1.00 1.12 C ATOM 1352 O SER A 81 6.572 -3.122 7.458 1.00 1.13 O ATOM 1353 CB SER A 81 4.321 -5.371 8.714 1.00 1.33 C ATOM 1354 OG SER A 81 4.154 -4.347 9.684 1.00 1.82 O ATOM 0 H SER A 81 4.767 -6.768 6.651 1.00 1.00 H new ATOM 0 HA SER A 81 4.233 -3.963 7.116 1.00 1.14 H new ATOM 0 HB2 SER A 81 3.366 -5.863 8.533 1.00 1.33 H new ATOM 0 HB3 SER A 81 5.003 -6.130 9.096 1.00 1.33 H new ATOM 0 HG SER A 81 3.804 -4.735 10.513 1.00 1.82 H new ATOM 1360 N LEU A 82 7.199 -5.250 7.834 1.00 1.15 N ATOM 1361 CA LEU A 82 8.612 -4.931 7.972 1.00 1.19 C ATOM 1362 C LEU A 82 9.109 -4.269 6.693 1.00 1.08 C ATOM 1363 O LEU A 82 9.593 -3.142 6.710 1.00 1.06 O ATOM 1364 CB LEU A 82 9.413 -6.219 8.240 1.00 1.33 C ATOM 1365 CG LEU A 82 10.748 -6.062 8.992 1.00 1.46 C ATOM 1366 CD1 LEU A 82 11.417 -7.416 9.155 1.00 1.80 C ATOM 1367 CD2 LEU A 82 11.694 -5.099 8.286 1.00 1.65 C ATOM 0 H LEU A 82 6.977 -6.239 7.953 1.00 1.15 H new ATOM 0 HA LEU A 82 8.749 -4.247 8.810 1.00 1.19 H new ATOM 0 HB2 LEU A 82 8.780 -6.900 8.809 1.00 1.33 H new ATOM 0 HB3 LEU A 82 9.617 -6.698 7.282 1.00 1.33 H new ATOM 0 HG LEU A 82 10.522 -5.643 9.972 1.00 1.46 H new ATOM 0 HD11 LEU A 82 12.360 -7.294 9.688 1.00 1.80 H new ATOM 0 HD12 LEU A 82 10.763 -8.079 9.722 1.00 1.80 H new ATOM 0 HD13 LEU A 82 11.609 -7.848 8.173 1.00 1.80 H new ATOM 0 HD21 LEU A 82 12.622 -5.020 8.852 1.00 1.65 H new ATOM 0 HD22 LEU A 82 11.911 -5.471 7.284 1.00 1.65 H new ATOM 0 HD23 LEU A 82 11.227 -4.117 8.215 1.00 1.65 H new ATOM 1379 N GLY A 83 8.924 -4.973 5.583 1.00 1.06 N ATOM 1380 CA GLY A 83 9.525 -4.586 4.320 1.00 1.01 C ATOM 1381 C GLY A 83 9.186 -3.180 3.853 1.00 0.90 C ATOM 1382 O GLY A 83 10.057 -2.471 3.353 1.00 0.91 O ATOM 0 H GLY A 83 8.358 -5.820 5.536 1.00 1.06 H new ATOM 0 HA2 GLY A 83 10.608 -4.672 4.408 1.00 1.01 H new ATOM 0 HA3 GLY A 83 9.210 -5.294 3.553 1.00 1.01 H new ATOM 1386 N LEU A 84 7.938 -2.765 4.010 1.00 0.84 N ATOM 1387 CA LEU A 84 7.522 -1.453 3.523 1.00 0.78 C ATOM 1388 C LEU A 84 8.083 -0.333 4.397 1.00 0.87 C ATOM 1389 O LEU A 84 8.329 0.773 3.915 1.00 0.94 O ATOM 1390 CB LEU A 84 5.997 -1.364 3.450 1.00 0.75 C ATOM 1391 CG LEU A 84 5.347 -2.222 2.359 1.00 0.63 C ATOM 1392 CD1 LEU A 84 3.834 -2.127 2.446 1.00 0.91 C ATOM 1393 CD2 LEU A 84 5.826 -1.794 0.977 1.00 0.98 C ATOM 0 H LEU A 84 7.203 -3.307 4.464 1.00 0.84 H new ATOM 0 HA LEU A 84 7.926 -1.328 2.518 1.00 0.78 H new ATOM 0 HB2 LEU A 84 5.585 -1.658 4.415 1.00 0.75 H new ATOM 0 HB3 LEU A 84 5.717 -0.323 3.287 1.00 0.75 H new ATOM 0 HG LEU A 84 5.643 -3.259 2.517 1.00 0.63 H new ATOM 0 HD11 LEU A 84 3.385 -2.741 1.665 1.00 0.91 H new ATOM 0 HD12 LEU A 84 3.503 -2.482 3.422 1.00 0.91 H new ATOM 0 HD13 LEU A 84 3.526 -1.090 2.313 1.00 0.91 H new ATOM 0 HD21 LEU A 84 5.352 -2.417 0.219 1.00 0.98 H new ATOM 0 HD22 LEU A 84 5.561 -0.750 0.807 1.00 0.98 H new ATOM 0 HD23 LEU A 84 6.908 -1.908 0.915 1.00 0.98 H new ATOM 1405 N TYR A 85 8.298 -0.628 5.672 1.00 0.94 N ATOM 1406 CA TYR A 85 8.821 0.360 6.607 1.00 1.08 C ATOM 1407 C TYR A 85 10.341 0.493 6.463 1.00 1.15 C ATOM 1408 O TYR A 85 10.885 1.598 6.467 1.00 1.24 O ATOM 1409 CB TYR A 85 8.409 -0.018 8.046 1.00 1.19 C ATOM 1410 CG TYR A 85 9.553 -0.234 9.022 1.00 1.32 C ATOM 1411 CD1 TYR A 85 10.167 -1.474 9.139 1.00 1.35 C ATOM 1412 CD2 TYR A 85 10.024 0.808 9.813 1.00 1.46 C ATOM 1413 CE1 TYR A 85 11.213 -1.669 10.020 1.00 1.51 C ATOM 1414 CE2 TYR A 85 11.069 0.620 10.695 1.00 1.61 C ATOM 1415 CZ TYR A 85 11.634 -0.636 10.822 1.00 1.63 C ATOM 1416 OH TYR A 85 12.702 -0.811 11.677 1.00 1.81 O ATOM 0 H TYR A 85 8.118 -1.544 6.083 1.00 0.94 H new ATOM 0 HA TYR A 85 8.394 1.336 6.377 1.00 1.08 H new ATOM 0 HB2 TYR A 85 7.764 0.768 8.438 1.00 1.19 H new ATOM 0 HB3 TYR A 85 7.812 -0.929 8.006 1.00 1.19 H new ATOM 0 HD1 TYR A 85 9.822 -2.298 8.532 1.00 1.35 H new ATOM 0 HD2 TYR A 85 9.564 1.782 9.736 1.00 1.46 H new ATOM 0 HE1 TYR A 85 11.699 -2.632 10.078 1.00 1.51 H new ATOM 0 HE2 TYR A 85 11.442 1.447 11.281 1.00 1.61 H new ATOM 0 HH TYR A 85 12.867 0.020 12.169 1.00 1.81 H new ATOM 1426 N VAL A 86 11.014 -0.639 6.305 1.00 1.15 N ATOM 1427 CA VAL A 86 12.467 -0.668 6.209 1.00 1.25 C ATOM 1428 C VAL A 86 12.950 -0.077 4.884 1.00 1.21 C ATOM 1429 O VAL A 86 13.958 0.624 4.840 1.00 1.32 O ATOM 1430 CB VAL A 86 13.005 -2.109 6.384 1.00 1.30 C ATOM 1431 CG1 VAL A 86 12.260 -3.075 5.500 1.00 1.19 C ATOM 1432 CG2 VAL A 86 14.488 -2.205 6.088 1.00 1.42 C ATOM 0 H VAL A 86 10.572 -1.556 6.240 1.00 1.15 H new ATOM 0 HA VAL A 86 12.860 -0.051 7.017 1.00 1.25 H new ATOM 0 HB VAL A 86 12.845 -2.373 7.429 1.00 1.30 H new ATOM 0 HG11 VAL A 86 12.658 -4.080 5.643 1.00 1.19 H new ATOM 0 HG12 VAL A 86 11.201 -3.064 5.760 1.00 1.19 H new ATOM 0 HG13 VAL A 86 12.381 -2.781 4.457 1.00 1.19 H new ATOM 0 HG21 VAL A 86 14.820 -3.234 6.224 1.00 1.42 H new ATOM 0 HG22 VAL A 86 14.674 -1.896 5.059 1.00 1.42 H new ATOM 0 HG23 VAL A 86 15.038 -1.553 6.767 1.00 1.42 H new ATOM 1442 N ALA A 87 12.207 -0.326 3.812 1.00 1.08 N ATOM 1443 CA ALA A 87 12.626 0.093 2.478 1.00 1.06 C ATOM 1444 C ALA A 87 12.679 1.608 2.338 1.00 1.13 C ATOM 1445 O ALA A 87 13.439 2.134 1.530 1.00 1.19 O ATOM 1446 CB ALA A 87 11.706 -0.476 1.424 1.00 1.00 C ATOM 0 H ALA A 87 11.312 -0.815 3.839 1.00 1.08 H new ATOM 0 HA ALA A 87 13.634 -0.295 2.333 1.00 1.06 H new ATOM 0 HB1 ALA A 87 12.037 -0.151 0.438 1.00 1.00 H new ATOM 0 HB2 ALA A 87 11.726 -1.565 1.473 1.00 1.00 H new ATOM 0 HB3 ALA A 87 10.690 -0.124 1.600 1.00 1.00 H new ATOM 1452 N GLU A 88 11.871 2.308 3.113 1.00 1.17 N ATOM 1453 CA GLU A 88 11.810 3.755 3.008 1.00 1.29 C ATOM 1454 C GLU A 88 12.995 4.413 3.700 1.00 1.41 C ATOM 1455 O GLU A 88 13.624 5.316 3.151 1.00 1.50 O ATOM 1456 CB GLU A 88 10.507 4.282 3.595 1.00 1.39 C ATOM 1457 CG GLU A 88 9.272 3.768 2.880 1.00 1.38 C ATOM 1458 CD GLU A 88 8.024 4.536 3.254 1.00 1.84 C ATOM 1459 OE1 GLU A 88 7.407 4.199 4.286 1.00 2.38 O ATOM 1460 OE2 GLU A 88 7.657 5.479 2.525 1.00 2.18 O ATOM 0 H GLU A 88 11.253 1.903 3.816 1.00 1.17 H new ATOM 0 HA GLU A 88 11.850 4.008 1.949 1.00 1.29 H new ATOM 0 HB2 GLU A 88 10.452 4.002 4.647 1.00 1.39 H new ATOM 0 HB3 GLU A 88 10.514 5.371 3.555 1.00 1.39 H new ATOM 0 HG2 GLU A 88 9.426 3.834 1.803 1.00 1.38 H new ATOM 0 HG3 GLU A 88 9.131 2.714 3.118 1.00 1.38 H new ATOM 1467 N GLN A 89 13.307 3.953 4.900 1.00 1.47 N ATOM 1468 CA GLN A 89 14.360 4.571 5.690 1.00 1.66 C ATOM 1469 C GLN A 89 15.723 3.932 5.422 1.00 1.70 C ATOM 1470 O GLN A 89 16.755 4.596 5.521 1.00 1.87 O ATOM 1471 CB GLN A 89 14.011 4.506 7.176 1.00 1.78 C ATOM 1472 CG GLN A 89 13.745 3.101 7.680 1.00 1.94 C ATOM 1473 CD GLN A 89 13.311 3.069 9.132 1.00 2.29 C ATOM 1474 OE1 GLN A 89 13.614 2.124 9.853 1.00 2.95 O ATOM 1475 NE2 GLN A 89 12.576 4.082 9.563 1.00 2.55 N ATOM 0 H GLN A 89 12.850 3.158 5.347 1.00 1.47 H new ATOM 0 HA GLN A 89 14.432 5.616 5.390 1.00 1.66 H new ATOM 0 HB2 GLN A 89 14.829 4.940 7.751 1.00 1.78 H new ATOM 0 HB3 GLN A 89 13.130 5.121 7.360 1.00 1.78 H new ATOM 0 HG2 GLN A 89 12.973 2.640 7.065 1.00 1.94 H new ATOM 0 HG3 GLN A 89 14.647 2.501 7.562 1.00 1.94 H new ATOM 0 HE21 GLN A 89 12.345 4.850 8.932 1.00 2.55 H new ATOM 0 HE22 GLN A 89 12.240 4.095 10.526 1.00 2.55 H new ATOM 1484 N PHE A 90 15.733 2.649 5.078 1.00 1.61 N ATOM 1485 CA PHE A 90 16.983 1.958 4.785 1.00 1.70 C ATOM 1486 C PHE A 90 17.240 1.875 3.287 1.00 1.62 C ATOM 1487 O PHE A 90 18.381 1.989 2.848 1.00 1.75 O ATOM 1488 CB PHE A 90 17.002 0.547 5.381 1.00 1.73 C ATOM 1489 CG PHE A 90 17.187 0.514 6.870 1.00 1.89 C ATOM 1490 CD1 PHE A 90 18.458 0.535 7.419 1.00 2.12 C ATOM 1491 CD2 PHE A 90 16.095 0.452 7.719 1.00 1.86 C ATOM 1492 CE1 PHE A 90 18.636 0.496 8.788 1.00 2.29 C ATOM 1493 CE2 PHE A 90 16.267 0.411 9.088 1.00 2.04 C ATOM 1494 CZ PHE A 90 17.540 0.434 9.623 1.00 2.25 C ATOM 0 H PHE A 90 14.897 2.070 4.996 1.00 1.61 H new ATOM 0 HA PHE A 90 17.776 2.546 5.247 1.00 1.70 H new ATOM 0 HB2 PHE A 90 16.067 0.046 5.130 1.00 1.73 H new ATOM 0 HB3 PHE A 90 17.805 -0.023 4.913 1.00 1.73 H new ATOM 0 HD1 PHE A 90 19.320 0.582 6.770 1.00 2.12 H new ATOM 0 HD2 PHE A 90 15.097 0.436 7.305 1.00 1.86 H new ATOM 0 HE1 PHE A 90 19.632 0.514 9.204 1.00 2.29 H new ATOM 0 HE2 PHE A 90 15.407 0.361 9.740 1.00 2.04 H new ATOM 0 HZ PHE A 90 17.677 0.403 10.694 1.00 2.25 H new ATOM 1504 N GLY A 91 16.184 1.704 2.500 1.00 1.45 N ATOM 1505 CA GLY A 91 16.361 1.517 1.077 1.00 1.40 C ATOM 1506 C GLY A 91 15.947 0.128 0.653 1.00 1.36 C ATOM 1507 O GLY A 91 16.251 -0.851 1.330 1.00 1.70 O ATOM 0 H GLY A 91 15.216 1.692 2.821 1.00 1.45 H new ATOM 0 HA2 GLY A 91 15.772 2.256 0.534 1.00 1.40 H new ATOM 0 HA3 GLY A 91 17.405 1.685 0.813 1.00 1.40 H new ATOM 1511 N GLU A 92 15.269 0.049 -0.476 1.00 1.17 N ATOM 1512 CA GLU A 92 14.626 -1.184 -0.922 1.00 1.13 C ATOM 1513 C GLU A 92 15.662 -2.227 -1.303 1.00 1.27 C ATOM 1514 O GLU A 92 15.478 -3.423 -1.081 1.00 1.35 O ATOM 1515 CB GLU A 92 13.746 -0.874 -2.127 1.00 1.10 C ATOM 1516 CG GLU A 92 13.017 0.442 -1.989 1.00 1.08 C ATOM 1517 CD GLU A 92 12.960 1.215 -3.285 1.00 1.19 C ATOM 1518 OE1 GLU A 92 14.026 1.592 -3.811 1.00 1.64 O ATOM 1519 OE2 GLU A 92 11.844 1.432 -3.799 1.00 1.46 O ATOM 0 H GLU A 92 15.145 0.835 -1.114 1.00 1.17 H new ATOM 0 HA GLU A 92 14.023 -1.584 -0.107 1.00 1.13 H new ATOM 0 HB2 GLU A 92 14.362 -0.852 -3.026 1.00 1.10 H new ATOM 0 HB3 GLU A 92 13.019 -1.676 -2.258 1.00 1.10 H new ATOM 0 HG2 GLU A 92 12.002 0.256 -1.637 1.00 1.08 H new ATOM 0 HG3 GLU A 92 13.511 1.049 -1.230 1.00 1.08 H new