USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 580 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 69 THR OG1 : rot 180:sc= 0.0754 USER MOD Set 1.2: A 72 MET CE :methyl 154:sc=-0.00545 (180deg=-0.789) USER MOD Set 2.1: A 36 GLN : amide:sc=-0.00746 K(o=-0.0075,f=-0.75) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.29) USER MOD Single : A 28 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.0096) USER MOD Single : A 50 GLN : amide:sc= 0.993 K(o=0.99,f=-2.3) USER MOD Single : A 54 ASN : amide:sc= -0.537 K(o=-0.54,f=-0.03) USER MOD Single : A 56 GLN : amide:sc= 0.716 K(o=0.72,f=-0.13) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -166:sc= -0.0401 (180deg=-0.4) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= 0.96 (180deg=0.622) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.51) USER MOD Single : A 68 THR OG1 : rot 60:sc= 0.408 USER MOD Single : A 74 THR OG1 : rot -82:sc= 1.25 USER MOD Single : A 77 GLN : amide:sc= -1.75 K(o=-1.8,f=-3.2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.16 K(o=1.2,f=-0.18) USER MOD Single : A 84 GLN : amide:sc= -1.32 X(o=-1.3,f=-1) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.0375 X(o=-0.038,f=-0.069) USER MOD Single : A 89 ASN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.826 K(o=-0.83,f=0.051) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= 1.18 (180deg=0.992) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0741 USER MOD Single : A 100 MET CE :methyl 158:sc= -0.0101 (180deg=-0.525) USER MOD Single : A 101 LYS NZ :NH3+ 122:sc= -0.129 (180deg=-0.659) USER MOD Single : A 102 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0148) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -11.208 2.315 0.890 1.00 23.14 N ATOM 280 CA VAL A 21 -10.844 0.957 1.270 1.00 35.12 C ATOM 281 C VAL A 21 -9.327 0.751 1.073 1.00 12.33 C ATOM 282 O VAL A 21 -8.746 1.334 0.152 1.00 54.33 O ATOM 283 CB VAL A 21 -11.703 0.021 0.389 1.00 62.54 C ATOM 284 CG1 VAL A 21 -11.528 -1.469 0.697 1.00 75.44 C ATOM 285 CG2 VAL A 21 -13.207 0.335 0.541 1.00 22.23 C ATOM 0 HA VAL A 21 -11.038 0.745 2.321 1.00 35.12 H new ATOM 0 HB VAL A 21 -11.349 0.212 -0.624 1.00 62.54 H new ATOM 0 HG11 VAL A 21 -12.166 -2.055 0.035 1.00 75.44 H new ATOM 0 HG12 VAL A 21 -10.487 -1.753 0.543 1.00 75.44 H new ATOM 0 HG13 VAL A 21 -11.807 -1.662 1.733 1.00 75.44 H new ATOM 0 HG21 VAL A 21 -13.785 -0.339 -0.091 1.00 22.23 H new ATOM 0 HG22 VAL A 21 -13.503 0.201 1.581 1.00 22.23 H new ATOM 0 HG23 VAL A 21 -13.396 1.365 0.240 1.00 22.23 H new ATOM 295 N LEU A 22 -8.682 -0.073 1.910 1.00 24.13 N ATOM 296 CA LEU A 22 -7.263 -0.428 1.762 1.00 14.44 C ATOM 297 C LEU A 22 -7.067 -1.479 0.652 1.00 44.40 C ATOM 298 O LEU A 22 -7.985 -2.266 0.398 1.00 74.50 O ATOM 299 CB LEU A 22 -6.681 -1.004 3.073 1.00 35.43 C ATOM 300 CG LEU A 22 -6.336 0.004 4.186 1.00 63.54 C ATOM 301 CD1 LEU A 22 -5.719 -0.760 5.367 1.00 13.13 C ATOM 302 CD2 LEU A 22 -5.330 1.075 3.744 1.00 1.14 C ATOM 0 H LEU A 22 -9.131 -0.514 2.712 1.00 24.13 H new ATOM 0 HA LEU A 22 -6.740 0.493 1.503 1.00 14.44 H new ATOM 0 HB2 LEU A 22 -7.396 -1.721 3.475 1.00 35.43 H new ATOM 0 HB3 LEU A 22 -5.776 -1.560 2.827 1.00 35.43 H new ATOM 0 HG LEU A 22 -7.264 0.509 4.455 1.00 63.54 H new ATOM 0 HD11 LEU A 22 -5.469 -0.059 6.163 1.00 13.13 H new ATOM 0 HD12 LEU A 22 -6.434 -1.493 5.740 1.00 13.13 H new ATOM 0 HD13 LEU A 22 -4.815 -1.271 5.037 1.00 13.13 H new ATOM 0 HD21 LEU A 22 -5.131 1.752 4.575 1.00 1.14 H new ATOM 0 HD22 LEU A 22 -4.401 0.596 3.436 1.00 1.14 H new ATOM 0 HD23 LEU A 22 -5.743 1.639 2.907 1.00 1.14 H new ATOM 313 N PRO A 23 -5.877 -1.542 0.026 1.00 32.12 N ATOM 314 CA PRO A 23 -5.497 -2.563 -0.955 1.00 21.43 C ATOM 315 C PRO A 23 -5.300 -3.967 -0.344 1.00 53.40 C ATOM 316 O PRO A 23 -5.224 -4.105 0.880 1.00 32.34 O ATOM 317 CB PRO A 23 -4.220 -2.035 -1.624 1.00 32.11 C ATOM 318 CG PRO A 23 -3.657 -1.017 -0.650 1.00 3.13 C ATOM 319 CD PRO A 23 -4.866 -0.505 0.105 1.00 1.34 C ATOM 0 HA PRO A 23 -6.300 -2.713 -1.677 1.00 21.43 H new ATOM 0 HB2 PRO A 23 -3.509 -2.840 -1.808 1.00 32.11 H new ATOM 0 HB3 PRO A 23 -4.440 -1.578 -2.589 1.00 32.11 H new ATOM 0 HG2 PRO A 23 -2.931 -1.472 0.024 1.00 3.13 H new ATOM 0 HG3 PRO A 23 -3.144 -0.209 -1.172 1.00 3.13 H new ATOM 0 HD2 PRO A 23 -4.612 -0.291 1.143 1.00 1.34 H new ATOM 0 HD3 PRO A 23 -5.230 0.425 -0.332 1.00 1.34 H new ATOM 324 N PRO A 24 -5.218 -5.019 -1.186 1.00 23.15 N ATOM 325 CA PRO A 24 -5.118 -6.409 -0.742 1.00 14.14 C ATOM 326 C PRO A 24 -3.767 -6.751 -0.107 1.00 73.11 C ATOM 327 O PRO A 24 -2.753 -6.116 -0.370 1.00 31.21 O ATOM 328 CB PRO A 24 -5.330 -7.253 -2.003 1.00 44.20 C ATOM 329 CG PRO A 24 -4.878 -6.336 -3.134 1.00 3.05 C ATOM 330 CD PRO A 24 -5.326 -4.967 -2.640 1.00 32.34 C ATOM 0 HA PRO A 24 -5.856 -6.602 0.036 1.00 14.14 H new ATOM 0 HB2 PRO A 24 -4.743 -8.171 -1.973 1.00 44.20 H new ATOM 0 HB3 PRO A 24 -6.374 -7.546 -2.118 1.00 44.20 H new ATOM 0 HG2 PRO A 24 -3.800 -6.380 -3.287 1.00 3.05 H new ATOM 0 HG3 PRO A 24 -5.346 -6.599 -4.083 1.00 3.05 H new ATOM 0 HD2 PRO A 24 -4.698 -4.177 -3.052 1.00 32.34 H new ATOM 0 HD3 PRO A 24 -6.349 -4.754 -2.950 1.00 32.34 H new ATOM 335 N THR A 25 -3.723 -7.845 0.647 1.00 0.25 N ATOM 336 CA THR A 25 -2.549 -8.365 1.350 1.00 55.13 C ATOM 337 C THR A 25 -2.491 -9.888 1.168 1.00 23.43 C ATOM 338 O THR A 25 -3.540 -10.505 0.952 1.00 15.24 O ATOM 339 CB THR A 25 -2.639 -7.979 2.840 1.00 73.12 C ATOM 340 OG1 THR A 25 -3.957 -8.179 3.324 1.00 1.04 O ATOM 341 CG2 THR A 25 -2.294 -6.505 3.051 1.00 13.33 C ATOM 0 H THR A 25 -4.549 -8.426 0.794 1.00 0.25 H new ATOM 0 HA THR A 25 -1.634 -7.935 0.941 1.00 55.13 H new ATOM 0 HB THR A 25 -1.929 -8.609 3.376 1.00 73.12 H new ATOM 0 HG1 THR A 25 -3.999 -7.932 4.271 1.00 1.04 H new ATOM 0 HG21 THR A 25 -2.366 -6.263 4.111 1.00 13.33 H new ATOM 0 HG22 THR A 25 -1.278 -6.316 2.704 1.00 13.33 H new ATOM 0 HG23 THR A 25 -2.991 -5.884 2.489 1.00 13.33 H new ATOM 349 N PRO A 26 -1.311 -10.528 1.246 1.00 44.04 N ATOM 350 CA PRO A 26 -1.225 -11.976 1.119 1.00 4.41 C ATOM 351 C PRO A 26 -1.843 -12.630 2.349 1.00 61.53 C ATOM 352 O PRO A 26 -1.637 -12.151 3.468 1.00 62.24 O ATOM 353 CB PRO A 26 0.266 -12.299 1.000 1.00 1.15 C ATOM 354 CG PRO A 26 0.966 -11.115 1.667 1.00 42.44 C ATOM 355 CD PRO A 26 -0.011 -9.948 1.546 1.00 54.24 C ATOM 0 HA PRO A 26 -1.767 -12.352 0.251 1.00 4.41 H new ATOM 0 HB2 PRO A 26 0.510 -13.237 1.498 1.00 1.15 H new ATOM 0 HB3 PRO A 26 0.568 -12.404 -0.042 1.00 1.15 H new ATOM 0 HG2 PRO A 26 1.194 -11.330 2.711 1.00 42.44 H new ATOM 0 HG3 PRO A 26 1.912 -10.889 1.174 1.00 42.44 H new ATOM 0 HD2 PRO A 26 -0.047 -9.374 2.472 1.00 54.24 H new ATOM 0 HD3 PRO A 26 0.299 -9.262 0.758 1.00 54.24 H new ATOM 360 N LYS A 27 -2.515 -13.771 2.161 1.00 12.23 N ATOM 361 CA LYS A 27 -3.116 -14.558 3.247 1.00 33.15 C ATOM 362 C LYS A 27 -2.049 -15.313 4.042 1.00 73.10 C ATOM 363 O LYS A 27 -2.165 -16.520 4.258 1.00 25.12 O ATOM 364 CB LYS A 27 -4.236 -15.485 2.741 1.00 2.13 C ATOM 365 CG LYS A 27 -3.792 -16.427 1.613 1.00 71.30 C ATOM 366 CD LYS A 27 -4.622 -17.718 1.562 1.00 71.21 C ATOM 367 CE LYS A 27 -3.880 -18.928 2.143 1.00 50.04 C ATOM 368 NZ LYS A 27 -3.589 -18.812 3.587 1.00 21.54 N ATOM 0 H LYS A 27 -2.660 -14.181 1.238 1.00 12.23 H new ATOM 0 HA LYS A 27 -3.590 -13.856 3.933 1.00 33.15 H new ATOM 0 HB2 LYS A 27 -4.608 -16.080 3.575 1.00 2.13 H new ATOM 0 HB3 LYS A 27 -5.068 -14.876 2.388 1.00 2.13 H new ATOM 0 HG2 LYS A 27 -3.874 -15.908 0.658 1.00 71.30 H new ATOM 0 HG3 LYS A 27 -2.741 -16.680 1.749 1.00 71.30 H new ATOM 0 HD2 LYS A 27 -5.551 -17.569 2.113 1.00 71.21 H new ATOM 0 HD3 LYS A 27 -4.895 -17.928 0.528 1.00 71.21 H new ATOM 0 HE2 LYS A 27 -4.477 -19.824 1.973 1.00 50.04 H new ATOM 0 HE3 LYS A 27 -2.943 -19.062 1.603 1.00 50.04 H new ATOM 0 HZ1 LYS A 27 -3.029 -19.632 3.895 1.00 21.54 H new ATOM 0 HZ2 LYS A 27 -3.052 -17.939 3.764 1.00 21.54 H new ATOM 0 HZ3 LYS A 27 -4.482 -18.783 4.120 1.00 21.54 H new ATOM 378 N ASN A 28 -0.968 -14.643 4.425 1.00 73.51 N ATOM 379 CA ASN A 28 0.134 -15.176 5.177 1.00 64.40 C ATOM 380 C ASN A 28 0.230 -14.410 6.485 1.00 45.41 C ATOM 381 O ASN A 28 0.354 -15.026 7.538 1.00 70.14 O ATOM 382 CB ASN A 28 1.439 -15.098 4.368 1.00 44.42 C ATOM 383 CG ASN A 28 1.686 -16.376 3.587 1.00 11.25 C ATOM 384 OD1 ASN A 28 2.029 -17.396 4.182 1.00 14.03 O ATOM 385 ND2 ASN A 28 1.532 -16.354 2.277 1.00 73.51 N ATOM 0 H ASN A 28 -0.842 -13.656 4.200 1.00 73.51 H new ATOM 0 HA ASN A 28 -0.031 -16.232 5.392 1.00 64.40 H new ATOM 0 HB2 ASN A 28 1.392 -14.253 3.681 1.00 44.42 H new ATOM 0 HB3 ASN A 28 2.276 -14.915 5.042 1.00 44.42 H new ATOM 0 HD21 ASN A 28 1.698 -17.198 1.730 1.00 73.51 H new ATOM 0 HD22 ASN A 28 1.246 -15.493 1.811 1.00 73.51 H new ATOM 391 N ILE A 29 0.189 -13.075 6.420 1.00 41.51 N ATOM 392 CA ILE A 29 0.349 -12.178 7.561 1.00 62.22 C ATOM 393 C ILE A 29 -0.567 -10.966 7.327 1.00 24.14 C ATOM 394 O ILE A 29 -0.966 -10.740 6.179 1.00 65.44 O ATOM 395 CB ILE A 29 1.837 -11.767 7.724 1.00 21.01 C ATOM 396 CG1 ILE A 29 2.358 -10.718 6.725 1.00 44.34 C ATOM 397 CG2 ILE A 29 2.784 -12.968 7.699 1.00 70.20 C ATOM 398 CD1 ILE A 29 2.448 -11.159 5.268 1.00 61.04 C ATOM 0 H ILE A 29 0.039 -12.577 5.543 1.00 41.51 H new ATOM 0 HA ILE A 29 0.065 -12.671 8.491 1.00 62.22 H new ATOM 0 HB ILE A 29 1.838 -11.297 8.707 1.00 21.01 H new ATOM 0 HG12 ILE A 29 1.710 -9.843 6.778 1.00 44.34 H new ATOM 0 HG13 ILE A 29 3.349 -10.400 7.048 1.00 44.34 H new ATOM 0 HG21 ILE A 29 3.811 -12.624 7.817 1.00 70.20 H new ATOM 0 HG22 ILE A 29 2.533 -13.646 8.514 1.00 70.20 H new ATOM 0 HG23 ILE A 29 2.683 -13.491 6.748 1.00 70.20 H new ATOM 0 HD11 ILE A 29 2.827 -10.336 4.662 1.00 61.04 H new ATOM 0 HD12 ILE A 29 3.123 -12.011 5.187 1.00 61.04 H new ATOM 0 HD13 ILE A 29 1.458 -11.445 4.913 1.00 61.04 H new ATOM 409 N PRO A 30 -0.915 -10.173 8.352 1.00 13.55 N ATOM 410 CA PRO A 30 -1.705 -8.958 8.189 1.00 4.44 C ATOM 411 C PRO A 30 -0.848 -7.783 7.692 1.00 42.54 C ATOM 412 O PRO A 30 0.379 -7.838 7.768 1.00 14.54 O ATOM 413 CB PRO A 30 -2.268 -8.681 9.582 1.00 51.32 C ATOM 414 CG PRO A 30 -1.211 -9.251 10.526 1.00 74.24 C ATOM 415 CD PRO A 30 -0.614 -10.420 9.752 1.00 45.32 C ATOM 0 HA PRO A 30 -2.487 -9.079 7.440 1.00 4.44 H new ATOM 0 HB2 PRO A 30 -2.418 -7.614 9.747 1.00 51.32 H new ATOM 0 HB3 PRO A 30 -3.234 -9.164 9.726 1.00 51.32 H new ATOM 0 HG2 PRO A 30 -0.453 -8.507 10.772 1.00 74.24 H new ATOM 0 HG3 PRO A 30 -1.652 -9.580 11.467 1.00 74.24 H new ATOM 0 HD2 PRO A 30 0.462 -10.485 9.914 1.00 45.32 H new ATOM 0 HD3 PRO A 30 -1.044 -11.366 10.082 1.00 45.32 H new ATOM 420 N LEU A 31 -1.483 -6.680 7.269 1.00 73.30 N ATOM 421 CA LEU A 31 -0.839 -5.436 6.815 1.00 31.45 C ATOM 422 C LEU A 31 0.376 -5.015 7.666 1.00 45.21 C ATOM 423 O LEU A 31 1.474 -4.930 7.116 1.00 31.22 O ATOM 424 CB LEU A 31 -1.899 -4.330 6.647 1.00 41.14 C ATOM 425 CG LEU A 31 -1.395 -2.944 6.185 1.00 23.35 C ATOM 426 CD1 LEU A 31 -0.950 -2.037 7.339 1.00 45.51 C ATOM 427 CD2 LEU A 31 -0.288 -2.992 5.124 1.00 70.14 C ATOM 0 H LEU A 31 -2.501 -6.627 7.232 1.00 73.30 H new ATOM 0 HA LEU A 31 -0.399 -5.626 5.836 1.00 31.45 H new ATOM 0 HB2 LEU A 31 -2.642 -4.678 5.929 1.00 41.14 H new ATOM 0 HB3 LEU A 31 -2.412 -4.204 7.600 1.00 41.14 H new ATOM 0 HG LEU A 31 -2.280 -2.509 5.721 1.00 23.35 H new ATOM 0 HD11 LEU A 31 -0.609 -1.082 6.940 1.00 45.51 H new ATOM 0 HD12 LEU A 31 -1.789 -1.870 8.014 1.00 45.51 H new ATOM 0 HD13 LEU A 31 -0.135 -2.514 7.884 1.00 45.51 H new ATOM 0 HD21 LEU A 31 0.005 -1.976 4.858 1.00 70.14 H new ATOM 0 HD22 LEU A 31 0.575 -3.526 5.522 1.00 70.14 H new ATOM 0 HD23 LEU A 31 -0.656 -3.507 4.237 1.00 70.14 H new ATOM 438 N PRO A 32 0.268 -4.770 8.986 1.00 70.41 N ATOM 439 CA PRO A 32 1.401 -4.290 9.780 1.00 63.44 C ATOM 440 C PRO A 32 2.528 -5.320 9.968 1.00 61.04 C ATOM 441 O PRO A 32 3.562 -4.970 10.540 1.00 45.34 O ATOM 442 CB PRO A 32 0.808 -3.832 11.114 1.00 63.32 C ATOM 443 CG PRO A 32 -0.455 -4.675 11.234 1.00 5.14 C ATOM 444 CD PRO A 32 -0.938 -4.778 9.796 1.00 51.53 C ATOM 0 HA PRO A 32 1.900 -3.477 9.253 1.00 63.44 H new ATOM 0 HB2 PRO A 32 1.493 -4.011 11.943 1.00 63.32 H new ATOM 0 HB3 PRO A 32 0.583 -2.766 11.111 1.00 63.32 H new ATOM 0 HG2 PRO A 32 -0.246 -5.656 11.660 1.00 5.14 H new ATOM 0 HG3 PRO A 32 -1.197 -4.200 11.876 1.00 5.14 H new ATOM 0 HD2 PRO A 32 -1.512 -5.691 9.638 1.00 51.53 H new ATOM 0 HD3 PRO A 32 -1.590 -3.943 9.539 1.00 51.53 H new ATOM 449 N ALA A 33 2.378 -6.559 9.492 1.00 21.35 N ATOM 450 CA ALA A 33 3.476 -7.497 9.315 1.00 43.11 C ATOM 451 C ALA A 33 3.958 -7.455 7.867 1.00 32.02 C ATOM 452 O ALA A 33 5.169 -7.443 7.649 1.00 73.02 O ATOM 453 CB ALA A 33 3.030 -8.897 9.732 1.00 43.51 C ATOM 0 H ALA A 33 1.473 -6.939 9.216 1.00 21.35 H new ATOM 0 HA ALA A 33 4.316 -7.216 9.951 1.00 43.11 H new ATOM 0 HB1 ALA A 33 3.855 -9.597 9.598 1.00 43.51 H new ATOM 0 HB2 ALA A 33 2.730 -8.886 10.780 1.00 43.51 H new ATOM 0 HB3 ALA A 33 2.186 -9.209 9.116 1.00 43.51 H new ATOM 459 N PHE A 34 3.030 -7.385 6.903 1.00 64.12 N ATOM 460 CA PHE A 34 3.295 -7.460 5.469 1.00 62.12 C ATOM 461 C PHE A 34 4.288 -6.408 4.963 1.00 21.04 C ATOM 462 O PHE A 34 4.899 -6.607 3.924 1.00 61.01 O ATOM 463 CB PHE A 34 1.983 -7.424 4.660 1.00 12.22 C ATOM 464 CG PHE A 34 2.178 -7.492 3.150 1.00 53.04 C ATOM 465 CD1 PHE A 34 3.035 -8.455 2.577 1.00 65.52 C ATOM 466 CD2 PHE A 34 1.587 -6.520 2.317 1.00 42.24 C ATOM 467 CE1 PHE A 34 3.331 -8.410 1.206 1.00 52.02 C ATOM 468 CE2 PHE A 34 1.873 -6.491 0.939 1.00 61.40 C ATOM 469 CZ PHE A 34 2.754 -7.431 0.383 1.00 1.34 C ATOM 0 H PHE A 34 2.039 -7.270 7.114 1.00 64.12 H new ATOM 0 HA PHE A 34 3.781 -8.422 5.308 1.00 62.12 H new ATOM 0 HB2 PHE A 34 1.354 -8.258 4.972 1.00 12.22 H new ATOM 0 HB3 PHE A 34 1.443 -6.509 4.905 1.00 12.22 H new ATOM 0 HD1 PHE A 34 3.465 -9.229 3.195 1.00 65.52 H new ATOM 0 HD2 PHE A 34 0.910 -5.792 2.739 1.00 42.24 H new ATOM 0 HE1 PHE A 34 4.009 -9.135 0.781 1.00 52.02 H new ATOM 0 HE2 PHE A 34 1.414 -5.744 0.309 1.00 61.40 H new ATOM 0 HZ PHE A 34 2.986 -7.401 -0.671 1.00 1.34 H new ATOM 478 N GLY A 35 4.502 -5.326 5.700 1.00 5.53 N ATOM 479 CA GLY A 35 5.528 -4.338 5.410 1.00 72.44 C ATOM 480 C GLY A 35 6.720 -4.550 6.320 1.00 43.21 C ATOM 481 O GLY A 35 7.828 -4.863 5.890 1.00 51.53 O ATOM 0 H GLY A 35 3.955 -5.108 6.533 1.00 5.53 H new ATOM 0 HA2 GLY A 35 5.837 -4.417 4.368 1.00 72.44 H new ATOM 0 HA3 GLY A 35 5.128 -3.334 5.549 1.00 72.44 H new ATOM 485 N GLN A 36 6.476 -4.364 7.613 1.00 12.11 N ATOM 486 CA GLN A 36 7.494 -4.159 8.633 1.00 44.24 C ATOM 487 C GLN A 36 8.456 -5.345 8.784 1.00 11.54 C ATOM 488 O GLN A 36 9.555 -5.158 9.308 1.00 31.43 O ATOM 489 CB GLN A 36 6.797 -3.826 9.963 1.00 41.11 C ATOM 490 CG GLN A 36 5.827 -2.634 9.862 1.00 64.34 C ATOM 491 CD GLN A 36 5.219 -2.255 11.209 1.00 44.21 C ATOM 492 OE1 GLN A 36 5.680 -2.650 12.275 1.00 53.52 O ATOM 493 NE2 GLN A 36 4.132 -1.509 11.197 1.00 5.15 N ATOM 0 H GLN A 36 5.529 -4.352 7.991 1.00 12.11 H new ATOM 0 HA GLN A 36 8.122 -3.325 8.319 1.00 44.24 H new ATOM 0 HB2 GLN A 36 6.249 -4.703 10.307 1.00 41.11 H new ATOM 0 HB3 GLN A 36 7.553 -3.607 10.717 1.00 41.11 H new ATOM 0 HG2 GLN A 36 6.356 -1.774 9.452 1.00 64.34 H new ATOM 0 HG3 GLN A 36 5.027 -2.879 9.163 1.00 64.34 H new ATOM 0 HE21 GLN A 36 3.749 -1.181 10.311 1.00 5.15 H new ATOM 0 HE22 GLN A 36 3.674 -1.260 12.074 1.00 5.15 H new ATOM 500 N ARG A 37 8.060 -6.546 8.350 1.00 52.22 N ATOM 501 CA ARG A 37 8.804 -7.790 8.568 1.00 71.42 C ATOM 502 C ARG A 37 9.046 -8.552 7.265 1.00 63.44 C ATOM 503 O ARG A 37 9.444 -9.721 7.284 1.00 22.11 O ATOM 504 CB ARG A 37 8.038 -8.630 9.597 1.00 24.34 C ATOM 505 CG ARG A 37 7.974 -7.909 10.947 1.00 63.42 C ATOM 506 CD ARG A 37 7.341 -8.837 11.985 1.00 4.24 C ATOM 507 NE ARG A 37 7.231 -8.242 13.324 1.00 65.40 N ATOM 508 CZ ARG A 37 6.402 -7.269 13.713 1.00 42.13 C ATOM 509 NH1 ARG A 37 5.651 -6.620 12.831 1.00 21.21 N ATOM 510 NH2 ARG A 37 6.301 -6.956 14.993 1.00 2.42 N ATOM 0 H ARG A 37 7.195 -6.683 7.827 1.00 52.22 H new ATOM 0 HA ARG A 37 9.797 -7.559 8.954 1.00 71.42 H new ATOM 0 HB2 ARG A 37 7.028 -8.825 9.235 1.00 24.34 H new ATOM 0 HB3 ARG A 37 8.525 -9.597 9.719 1.00 24.34 H new ATOM 0 HG2 ARG A 37 8.975 -7.618 11.265 1.00 63.42 H new ATOM 0 HG3 ARG A 37 7.390 -6.993 10.856 1.00 63.42 H new ATOM 0 HD2 ARG A 37 6.347 -9.125 11.643 1.00 4.24 H new ATOM 0 HD3 ARG A 37 7.932 -9.750 12.051 1.00 4.24 H new ATOM 0 HE ARG A 37 7.858 -8.614 14.037 1.00 65.40 H new ATOM 0 HH11 ARG A 37 5.702 -6.862 11.841 1.00 21.21 H new ATOM 0 HH12 ARG A 37 5.023 -5.879 13.143 1.00 21.21 H new ATOM 0 HH21 ARG A 37 6.857 -7.458 15.686 1.00 2.42 H new ATOM 0 HH22 ARG A 37 5.668 -6.213 15.288 1.00 2.42 H new ATOM 521 N ILE A 38 8.770 -7.911 6.136 1.00 52.52 N ATOM 522 CA ILE A 38 8.800 -8.510 4.808 1.00 24.11 C ATOM 523 C ILE A 38 9.526 -7.535 3.881 1.00 1.35 C ATOM 524 O ILE A 38 10.547 -7.881 3.294 1.00 73.32 O ATOM 525 CB ILE A 38 7.357 -8.806 4.338 1.00 64.11 C ATOM 526 CG1 ILE A 38 6.478 -9.596 5.333 1.00 32.31 C ATOM 527 CG2 ILE A 38 7.315 -9.454 2.945 1.00 31.33 C ATOM 528 CD1 ILE A 38 6.798 -11.081 5.492 1.00 72.33 C ATOM 0 H ILE A 38 8.510 -6.925 6.120 1.00 52.52 H new ATOM 0 HA ILE A 38 9.332 -9.462 4.807 1.00 24.11 H new ATOM 0 HB ILE A 38 6.907 -7.815 4.282 1.00 64.11 H new ATOM 0 HG12 ILE A 38 6.560 -9.122 6.311 1.00 32.31 H new ATOM 0 HG13 ILE A 38 5.438 -9.502 5.019 1.00 32.31 H new ATOM 0 HG21 ILE A 38 6.279 -9.641 2.662 1.00 31.33 H new ATOM 0 HG22 ILE A 38 7.774 -8.784 2.218 1.00 31.33 H new ATOM 0 HG23 ILE A 38 7.862 -10.397 2.966 1.00 31.33 H new ATOM 0 HD11 ILE A 38 6.114 -11.525 6.216 1.00 72.33 H new ATOM 0 HD12 ILE A 38 6.685 -11.583 4.531 1.00 72.33 H new ATOM 0 HD13 ILE A 38 7.823 -11.197 5.843 1.00 72.33 H new ATOM 539 N ILE A 39 9.000 -6.315 3.755 1.00 53.51 N ATOM 540 CA ILE A 39 9.527 -5.267 2.893 1.00 41.51 C ATOM 541 C ILE A 39 10.784 -4.643 3.515 1.00 45.24 C ATOM 542 O ILE A 39 11.550 -4.010 2.795 1.00 64.03 O ATOM 543 CB ILE A 39 8.425 -4.202 2.630 1.00 20.21 C ATOM 544 CG1 ILE A 39 7.097 -4.786 2.100 1.00 73.12 C ATOM 545 CG2 ILE A 39 8.894 -3.101 1.667 1.00 0.34 C ATOM 546 CD1 ILE A 39 7.148 -5.534 0.766 1.00 22.41 C ATOM 0 H ILE A 39 8.168 -6.025 4.269 1.00 53.51 H new ATOM 0 HA ILE A 39 9.818 -5.697 1.935 1.00 41.51 H new ATOM 0 HB ILE A 39 8.235 -3.776 3.615 1.00 20.21 H new ATOM 0 HG12 ILE A 39 6.702 -5.466 2.854 1.00 73.12 H new ATOM 0 HG13 ILE A 39 6.383 -3.968 2.002 1.00 73.12 H new ATOM 0 HG21 ILE A 39 8.089 -2.382 1.516 1.00 0.34 H new ATOM 0 HG22 ILE A 39 9.760 -2.592 2.090 1.00 0.34 H new ATOM 0 HG23 ILE A 39 9.167 -3.546 0.710 1.00 0.34 H new ATOM 0 HD11 ILE A 39 6.150 -5.891 0.511 1.00 22.41 H new ATOM 0 HD12 ILE A 39 7.503 -4.862 -0.015 1.00 22.41 H new ATOM 0 HD13 ILE A 39 7.827 -6.383 0.850 1.00 22.41 H new ATOM 557 N GLY A 40 11.009 -4.757 4.830 1.00 41.53 N ATOM 558 CA GLY A 40 12.199 -4.164 5.448 1.00 21.12 C ATOM 559 C GLY A 40 12.060 -2.665 5.708 1.00 5.21 C ATOM 560 O GLY A 40 13.008 -2.034 6.170 1.00 42.51 O ATOM 0 H GLY A 40 10.392 -5.247 5.478 1.00 41.53 H new ATOM 0 HA2 GLY A 40 12.402 -4.672 6.391 1.00 21.12 H new ATOM 0 HA3 GLY A 40 13.060 -4.336 4.802 1.00 21.12 H new ATOM 564 N TRP A 41 10.882 -2.082 5.461 1.00 5.33 N ATOM 565 CA TRP A 41 10.660 -0.637 5.418 1.00 45.41 C ATOM 566 C TRP A 41 10.551 0.035 6.792 1.00 32.34 C ATOM 567 O TRP A 41 9.940 1.102 6.896 1.00 31.33 O ATOM 568 CB TRP A 41 9.406 -0.370 4.576 1.00 3.32 C ATOM 569 CG TRP A 41 8.058 -0.651 5.175 1.00 64.32 C ATOM 570 CD1 TRP A 41 7.789 -1.260 6.351 1.00 21.03 C ATOM 571 CD2 TRP A 41 6.767 -0.273 4.629 1.00 70.11 C ATOM 572 NE1 TRP A 41 6.431 -1.245 6.585 1.00 25.41 N ATOM 573 CE2 TRP A 41 5.741 -0.691 5.531 1.00 44.53 C ATOM 574 CE3 TRP A 41 6.371 0.378 3.446 1.00 54.52 C ATOM 575 CZ2 TRP A 41 4.378 -0.491 5.262 1.00 12.43 C ATOM 576 CZ3 TRP A 41 5.013 0.586 3.173 1.00 73.31 C ATOM 577 CH2 TRP A 41 4.030 0.187 4.084 1.00 53.34 C ATOM 0 H TRP A 41 10.034 -2.620 5.281 1.00 5.33 H new ATOM 0 HA TRP A 41 11.544 -0.186 4.966 1.00 45.41 H new ATOM 0 HB2 TRP A 41 9.424 0.679 4.281 1.00 3.32 H new ATOM 0 HB3 TRP A 41 9.490 -0.959 3.663 1.00 3.32 H new ATOM 0 HD1 TRP A 41 8.528 -1.694 7.009 1.00 21.03 H new ATOM 0 HE1 TRP A 41 5.992 -1.600 7.434 1.00 25.41 H new ATOM 0 HE3 TRP A 41 7.118 0.719 2.745 1.00 54.52 H new ATOM 0 HZ2 TRP A 41 3.619 -0.849 5.942 1.00 12.43 H new ATOM 0 HZ3 TRP A 41 4.722 1.060 2.248 1.00 73.31 H new ATOM 0 HH2 TRP A 41 2.992 0.403 3.879 1.00 53.34 H new ATOM 587 N GLY A 42 11.038 -0.608 7.853 1.00 10.54 N ATOM 588 CA GLY A 42 10.815 -0.210 9.237 1.00 24.12 C ATOM 589 C GLY A 42 9.330 0.014 9.478 1.00 13.14 C ATOM 590 O GLY A 42 8.568 -0.948 9.454 1.00 71.42 O ATOM 0 H GLY A 42 11.615 -1.445 7.767 1.00 10.54 H new ATOM 0 HA2 GLY A 42 11.190 -0.980 9.911 1.00 24.12 H new ATOM 0 HA3 GLY A 42 11.370 0.702 9.456 1.00 24.12 H new ATOM 594 N THR A 43 8.899 1.263 9.661 1.00 1.51 N ATOM 595 CA THR A 43 7.506 1.695 9.538 1.00 62.24 C ATOM 596 C THR A 43 7.513 3.228 9.462 1.00 52.11 C ATOM 597 O THR A 43 8.223 3.868 10.243 1.00 50.41 O ATOM 598 CB THR A 43 6.647 1.142 10.704 1.00 1.52 C ATOM 599 OG1 THR A 43 5.286 1.502 10.545 1.00 73.13 O ATOM 600 CG2 THR A 43 7.120 1.531 12.106 1.00 14.12 C ATOM 0 H THR A 43 9.530 2.026 9.907 1.00 1.51 H new ATOM 0 HA THR A 43 7.044 1.297 8.635 1.00 62.24 H new ATOM 0 HB THR A 43 6.769 0.061 10.639 1.00 1.52 H new ATOM 0 HG1 THR A 43 4.763 1.141 11.291 1.00 73.13 H new ATOM 0 HG21 THR A 43 6.453 1.095 12.849 1.00 14.12 H new ATOM 0 HG22 THR A 43 8.132 1.159 12.265 1.00 14.12 H new ATOM 0 HG23 THR A 43 7.112 2.617 12.204 1.00 14.12 H new ATOM 608 N GLY A 44 6.716 3.835 8.573 1.00 2.14 N ATOM 609 CA GLY A 44 6.645 5.287 8.450 1.00 41.41 C ATOM 610 C GLY A 44 7.342 5.804 7.201 1.00 61.05 C ATOM 611 O GLY A 44 7.067 5.329 6.095 1.00 73.05 O ATOM 0 H GLY A 44 6.108 3.333 7.926 1.00 2.14 H new ATOM 0 HA2 GLY A 44 5.600 5.596 8.432 1.00 41.41 H new ATOM 0 HA3 GLY A 44 7.097 5.745 9.330 1.00 41.41 H new ATOM 615 N ALA A 45 8.189 6.817 7.386 1.00 1.13 N ATOM 616 CA ALA A 45 8.925 7.534 6.354 1.00 61.14 C ATOM 617 C ALA A 45 10.370 7.039 6.344 1.00 54.33 C ATOM 618 O ALA A 45 10.879 6.572 5.325 1.00 41.42 O ATOM 619 CB ALA A 45 8.880 9.046 6.660 1.00 10.51 C ATOM 0 H ALA A 45 8.389 7.178 8.319 1.00 1.13 H new ATOM 0 HA ALA A 45 8.478 7.357 5.376 1.00 61.14 H new ATOM 0 HB1 ALA A 45 9.429 9.589 5.891 1.00 10.51 H new ATOM 0 HB2 ALA A 45 7.844 9.384 6.673 1.00 10.51 H new ATOM 0 HB3 ALA A 45 9.335 9.234 7.632 1.00 10.51 H new ATOM 625 N GLU A 46 11.041 7.186 7.487 1.00 12.30 N ATOM 626 CA GLU A 46 12.469 6.992 7.635 1.00 13.33 C ATOM 627 C GLU A 46 12.880 5.545 7.400 1.00 71.41 C ATOM 628 O GLU A 46 13.939 5.297 6.829 1.00 64.22 O ATOM 629 CB GLU A 46 12.834 7.449 9.054 1.00 65.31 C ATOM 630 CG GLU A 46 14.139 8.238 9.091 1.00 30.34 C ATOM 631 CD GLU A 46 15.345 7.412 9.542 1.00 73.32 C ATOM 632 OE1 GLU A 46 15.275 6.813 10.637 1.00 33.01 O ATOM 633 OE2 GLU A 46 16.395 7.433 8.856 1.00 23.24 O ATOM 0 H GLU A 46 10.583 7.452 8.359 1.00 12.30 H new ATOM 0 HA GLU A 46 13.005 7.574 6.885 1.00 13.33 H new ATOM 0 HB2 GLU A 46 12.028 8.065 9.453 1.00 65.31 H new ATOM 0 HB3 GLU A 46 12.921 6.577 9.703 1.00 65.31 H new ATOM 0 HG2 GLU A 46 14.337 8.642 8.098 1.00 30.34 H new ATOM 0 HG3 GLU A 46 14.020 9.088 9.763 1.00 30.34 H new ATOM 638 N GLY A 47 12.023 4.599 7.791 1.00 54.45 N ATOM 639 CA GLY A 47 12.326 3.181 7.664 1.00 51.11 C ATOM 640 C GLY A 47 12.317 2.713 6.212 1.00 11.34 C ATOM 641 O GLY A 47 12.984 1.737 5.867 1.00 71.23 O ATOM 0 H GLY A 47 11.110 4.796 8.200 1.00 54.45 H new ATOM 0 HA2 GLY A 47 13.304 2.980 8.102 1.00 51.11 H new ATOM 0 HA3 GLY A 47 11.597 2.604 8.234 1.00 51.11 H new ATOM 645 N ALA A 48 11.547 3.389 5.361 1.00 61.34 N ATOM 646 CA ALA A 48 11.519 3.145 3.939 1.00 73.31 C ATOM 647 C ALA A 48 12.715 3.834 3.296 1.00 2.11 C ATOM 648 O ALA A 48 13.295 3.277 2.371 1.00 62.04 O ATOM 649 CB ALA A 48 10.198 3.649 3.344 1.00 33.10 C ATOM 0 H ALA A 48 10.917 4.134 5.657 1.00 61.34 H new ATOM 0 HA ALA A 48 11.582 2.075 3.742 1.00 73.31 H new ATOM 0 HB1 ALA A 48 10.187 3.460 2.271 1.00 33.10 H new ATOM 0 HB2 ALA A 48 9.365 3.126 3.813 1.00 33.10 H new ATOM 0 HB3 ALA A 48 10.102 4.720 3.525 1.00 33.10 H new ATOM 655 N ARG A 49 13.085 5.037 3.757 1.00 60.23 N ATOM 656 CA ARG A 49 14.130 5.842 3.135 1.00 4.34 C ATOM 657 C ARG A 49 15.432 5.065 2.994 1.00 53.31 C ATOM 658 O ARG A 49 15.908 4.930 1.873 1.00 55.12 O ATOM 659 CB ARG A 49 14.345 7.148 3.913 1.00 0.23 C ATOM 660 CG ARG A 49 15.513 7.954 3.321 1.00 52.15 C ATOM 661 CD ARG A 49 15.617 9.313 4.008 1.00 71.11 C ATOM 662 NE ARG A 49 16.966 9.901 4.067 1.00 3.41 N ATOM 663 CZ ARG A 49 18.028 9.782 3.259 1.00 0.12 C ATOM 664 NH1 ARG A 49 17.943 9.333 2.009 1.00 35.20 N ATOM 665 NH2 ARG A 49 19.207 10.134 3.749 1.00 55.23 N ATOM 0 H ARG A 49 12.662 5.475 4.575 1.00 60.23 H new ATOM 0 HA ARG A 49 13.797 6.095 2.129 1.00 4.34 H new ATOM 0 HB2 ARG A 49 13.434 7.746 3.886 1.00 0.23 H new ATOM 0 HB3 ARG A 49 14.547 6.923 4.960 1.00 0.23 H new ATOM 0 HG2 ARG A 49 16.445 7.403 3.446 1.00 52.15 H new ATOM 0 HG3 ARG A 49 15.364 8.090 2.250 1.00 52.15 H new ATOM 0 HD2 ARG A 49 14.959 10.012 3.491 1.00 71.11 H new ATOM 0 HD3 ARG A 49 15.240 9.214 5.026 1.00 71.11 H new ATOM 0 HE ARG A 49 17.120 10.511 4.870 1.00 3.41 H new ATOM 0 HH11 ARG A 49 17.038 9.061 1.625 1.00 35.20 H new ATOM 0 HH12 ARG A 49 18.783 9.261 1.435 1.00 35.20 H new ATOM 0 HH21 ARG A 49 19.279 10.479 4.706 1.00 55.23 H new ATOM 0 HH22 ARG A 49 20.043 10.060 3.169 1.00 55.23 H new ATOM 676 N GLN A 50 16.028 4.609 4.095 1.00 44.11 N ATOM 677 CA GLN A 50 17.390 4.086 4.044 1.00 13.50 C ATOM 678 C GLN A 50 17.442 2.689 3.416 1.00 3.23 C ATOM 679 O GLN A 50 18.534 2.163 3.204 1.00 41.41 O ATOM 680 CB GLN A 50 18.107 4.120 5.402 1.00 43.31 C ATOM 681 CG GLN A 50 17.767 5.318 6.298 1.00 22.03 C ATOM 682 CD GLN A 50 18.021 6.699 5.696 1.00 42.11 C ATOM 683 OE1 GLN A 50 18.661 6.884 4.665 1.00 35.23 O ATOM 684 NE2 GLN A 50 17.536 7.733 6.361 1.00 61.11 N ATOM 0 H GLN A 50 15.596 4.591 5.019 1.00 44.11 H new ATOM 0 HA GLN A 50 17.942 4.764 3.394 1.00 13.50 H new ATOM 0 HB2 GLN A 50 17.867 3.204 5.943 1.00 43.31 H new ATOM 0 HB3 GLN A 50 19.183 4.114 5.226 1.00 43.31 H new ATOM 0 HG2 GLN A 50 16.715 5.252 6.575 1.00 22.03 H new ATOM 0 HG3 GLN A 50 18.344 5.233 7.219 1.00 22.03 H new ATOM 0 HE21 GLN A 50 17.004 7.584 7.218 1.00 61.11 H new ATOM 0 HE22 GLN A 50 17.694 8.680 6.017 1.00 61.11 H new ATOM 691 N ARG A 51 16.302 2.058 3.103 1.00 52.41 N ATOM 692 CA ARG A 51 16.262 0.784 2.376 1.00 42.12 C ATOM 693 C ARG A 51 15.935 1.015 0.892 1.00 34.24 C ATOM 694 O ARG A 51 16.469 0.308 0.044 1.00 53.43 O ATOM 695 CB ARG A 51 15.358 -0.246 3.105 1.00 75.24 C ATOM 696 CG ARG A 51 15.922 -0.627 4.488 1.00 14.11 C ATOM 697 CD ARG A 51 17.182 -1.511 4.486 1.00 44.41 C ATOM 698 NE ARG A 51 16.846 -2.944 4.465 1.00 10.44 N ATOM 699 CZ ARG A 51 17.407 -3.918 5.190 1.00 33.03 C ATOM 700 NH1 ARG A 51 18.471 -3.687 5.947 1.00 14.44 N ATOM 701 NH2 ARG A 51 16.888 -5.137 5.180 1.00 53.12 N ATOM 0 H ARG A 51 15.380 2.419 3.348 1.00 52.41 H new ATOM 0 HA ARG A 51 17.251 0.327 2.377 1.00 42.12 H new ATOM 0 HB2 ARG A 51 14.357 0.169 3.223 1.00 75.24 H new ATOM 0 HB3 ARG A 51 15.262 -1.142 2.492 1.00 75.24 H new ATOM 0 HG2 ARG A 51 16.148 0.291 5.031 1.00 14.11 H new ATOM 0 HG3 ARG A 51 15.141 -1.144 5.046 1.00 14.11 H new ATOM 0 HD2 ARG A 51 17.794 -1.269 3.617 1.00 44.41 H new ATOM 0 HD3 ARG A 51 17.781 -1.291 5.370 1.00 44.41 H new ATOM 0 HE ARG A 51 16.102 -3.226 3.826 1.00 10.44 H new ATOM 0 HH11 ARG A 51 18.877 -2.752 5.984 1.00 14.44 H new ATOM 0 HH12 ARG A 51 18.883 -4.444 6.492 1.00 14.44 H new ATOM 0 HH21 ARG A 51 16.059 -5.334 4.619 1.00 53.12 H new ATOM 0 HH22 ARG A 51 17.317 -5.879 5.733 1.00 53.12 H new ATOM 712 N LEU A 52 15.160 2.055 0.571 1.00 61.22 N ATOM 713 CA LEU A 52 14.804 2.522 -0.769 1.00 44.01 C ATOM 714 C LEU A 52 16.024 2.885 -1.611 1.00 12.20 C ATOM 715 O LEU A 52 16.225 2.303 -2.675 1.00 12.13 O ATOM 716 CB LEU A 52 13.902 3.752 -0.627 1.00 53.32 C ATOM 717 CG LEU A 52 13.713 4.635 -1.879 1.00 1.20 C ATOM 718 CD1 LEU A 52 13.134 3.906 -3.083 1.00 63.43 C ATOM 719 CD2 LEU A 52 12.820 5.820 -1.505 1.00 20.13 C ATOM 0 H LEU A 52 14.735 2.634 1.295 1.00 61.22 H new ATOM 0 HA LEU A 52 14.292 1.709 -1.284 1.00 44.01 H new ATOM 0 HB2 LEU A 52 12.919 3.414 -0.300 1.00 53.32 H new ATOM 0 HB3 LEU A 52 14.305 4.377 0.170 1.00 53.32 H new ATOM 0 HG LEU A 52 14.705 4.961 -2.191 1.00 1.20 H new ATOM 0 HD11 LEU A 52 13.035 4.601 -3.916 1.00 63.43 H new ATOM 0 HD12 LEU A 52 13.798 3.090 -3.368 1.00 63.43 H new ATOM 0 HD13 LEU A 52 12.154 3.504 -2.828 1.00 63.43 H new ATOM 0 HD21 LEU A 52 12.675 6.456 -2.378 1.00 20.13 H new ATOM 0 HD22 LEU A 52 11.854 5.453 -1.159 1.00 20.13 H new ATOM 0 HD23 LEU A 52 13.294 6.397 -0.711 1.00 20.13 H new ATOM 730 N GLU A 53 16.786 3.913 -1.211 1.00 43.43 N ATOM 731 CA GLU A 53 17.641 4.656 -2.156 1.00 1.00 C ATOM 732 C GLU A 53 18.857 3.836 -2.635 1.00 74.35 C ATOM 733 O GLU A 53 19.611 4.278 -3.514 1.00 44.21 O ATOM 734 CB GLU A 53 18.044 6.051 -1.597 1.00 73.01 C ATOM 735 CG GLU A 53 16.941 6.862 -0.854 1.00 43.34 C ATOM 736 CD GLU A 53 16.896 8.398 -1.057 1.00 11.23 C ATOM 737 OE1 GLU A 53 17.351 8.930 -2.096 1.00 1.30 O ATOM 738 OE2 GLU A 53 16.199 9.101 -0.271 1.00 62.24 O ATOM 0 H GLU A 53 16.830 4.249 -0.249 1.00 43.43 H new ATOM 0 HA GLU A 53 17.038 4.835 -3.046 1.00 1.00 H new ATOM 0 HB2 GLU A 53 18.881 5.913 -0.913 1.00 73.01 H new ATOM 0 HB3 GLU A 53 18.408 6.656 -2.427 1.00 73.01 H new ATOM 0 HG2 GLU A 53 15.974 6.459 -1.153 1.00 43.34 H new ATOM 0 HG3 GLU A 53 17.050 6.671 0.214 1.00 43.34 H new ATOM 743 N ASN A 54 19.003 2.629 -2.090 1.00 61.22 N ATOM 744 CA ASN A 54 20.108 1.686 -2.207 1.00 15.31 C ATOM 745 C ASN A 54 19.631 0.228 -2.192 1.00 2.41 C ATOM 746 O ASN A 54 20.351 -0.652 -1.720 1.00 31.12 O ATOM 747 CB ASN A 54 21.094 1.941 -1.053 1.00 74.25 C ATOM 748 CG ASN A 54 20.449 2.041 0.326 1.00 52.44 C ATOM 749 OD1 ASN A 54 20.935 2.808 1.153 1.00 33.40 O ATOM 750 ND2 ASN A 54 19.314 1.409 0.603 1.00 60.25 N ATOM 0 H ASN A 54 18.269 2.250 -1.492 1.00 61.22 H new ATOM 0 HA ASN A 54 20.598 1.843 -3.168 1.00 15.31 H new ATOM 0 HB2 ASN A 54 21.830 1.137 -1.038 1.00 74.25 H new ATOM 0 HB3 ASN A 54 21.636 2.865 -1.254 1.00 74.25 H new ATOM 0 HD21 ASN A 54 18.851 1.562 1.499 1.00 60.25 H new ATOM 0 HD22 ASN A 54 18.906 0.771 -0.080 1.00 60.25 H new ATOM 756 N ILE A 55 18.394 -0.036 -2.608 1.00 43.02 N ATOM 757 CA ILE A 55 17.826 -1.382 -2.600 1.00 13.43 C ATOM 758 C ILE A 55 18.637 -2.312 -3.516 1.00 75.12 C ATOM 759 O ILE A 55 19.322 -1.842 -4.427 1.00 32.33 O ATOM 760 CB ILE A 55 16.343 -1.264 -2.997 1.00 32.22 C ATOM 761 CG1 ILE A 55 15.497 -2.428 -2.452 1.00 0.02 C ATOM 762 CG2 ILE A 55 16.149 -1.113 -4.513 1.00 40.32 C ATOM 763 CD1 ILE A 55 14.071 -1.928 -2.223 1.00 32.12 C ATOM 0 H ILE A 55 17.757 0.678 -2.960 1.00 43.02 H new ATOM 0 HA ILE A 55 17.880 -1.835 -1.610 1.00 13.43 H new ATOM 0 HB ILE A 55 15.985 -0.347 -2.529 1.00 32.22 H new ATOM 0 HG12 ILE A 55 15.498 -3.259 -3.157 1.00 0.02 H new ATOM 0 HG13 ILE A 55 15.922 -2.800 -1.520 1.00 0.02 H new ATOM 0 HG21 ILE A 55 15.085 -1.034 -4.738 1.00 40.32 H new ATOM 0 HG22 ILE A 55 16.660 -0.214 -4.858 1.00 40.32 H new ATOM 0 HG23 ILE A 55 16.563 -1.984 -5.021 1.00 40.32 H new ATOM 0 HD11 ILE A 55 13.458 -2.742 -1.836 1.00 32.12 H new ATOM 0 HD12 ILE A 55 14.084 -1.110 -1.503 1.00 32.12 H new ATOM 0 HD13 ILE A 55 13.653 -1.575 -3.166 1.00 32.12 H new ATOM 774 N GLN A 56 18.521 -3.626 -3.328 1.00 43.33 N ATOM 775 CA GLN A 56 19.273 -4.637 -4.066 1.00 2.10 C ATOM 776 C GLN A 56 18.294 -5.652 -4.659 1.00 74.23 C ATOM 777 O GLN A 56 17.177 -5.791 -4.156 1.00 44.35 O ATOM 778 CB GLN A 56 20.241 -5.342 -3.103 1.00 3.44 C ATOM 779 CG GLN A 56 21.160 -4.395 -2.336 1.00 4.43 C ATOM 780 CD GLN A 56 22.115 -3.623 -3.253 1.00 3.54 C ATOM 781 OE1 GLN A 56 22.728 -4.201 -4.148 1.00 31.32 O ATOM 782 NE2 GLN A 56 22.261 -2.321 -3.066 1.00 51.34 N ATOM 0 H GLN A 56 17.884 -4.026 -2.639 1.00 43.33 H new ATOM 0 HA GLN A 56 19.841 -4.172 -4.872 1.00 2.10 H new ATOM 0 HB2 GLN A 56 19.663 -5.927 -2.388 1.00 3.44 H new ATOM 0 HB3 GLN A 56 20.852 -6.044 -3.670 1.00 3.44 H new ATOM 0 HG2 GLN A 56 20.554 -3.687 -1.771 1.00 4.43 H new ATOM 0 HG3 GLN A 56 21.741 -4.967 -1.612 1.00 4.43 H new ATOM 0 HE21 GLN A 56 21.747 -1.852 -2.320 1.00 51.34 H new ATOM 0 HE22 GLN A 56 22.887 -1.786 -3.668 1.00 51.34 H new ATOM 789 N PRO A 57 18.707 -6.438 -5.663 1.00 22.24 N ATOM 790 CA PRO A 57 17.837 -7.400 -6.321 1.00 42.34 C ATOM 791 C PRO A 57 17.450 -8.546 -5.390 1.00 55.04 C ATOM 792 O PRO A 57 16.454 -9.226 -5.633 1.00 72.34 O ATOM 793 CB PRO A 57 18.624 -7.897 -7.536 1.00 22.10 C ATOM 794 CG PRO A 57 20.088 -7.660 -7.174 1.00 64.11 C ATOM 795 CD PRO A 57 20.044 -6.466 -6.224 1.00 20.32 C ATOM 0 HA PRO A 57 16.892 -6.944 -6.616 1.00 42.34 H new ATOM 0 HB2 PRO A 57 18.430 -8.952 -7.729 1.00 22.10 H new ATOM 0 HB3 PRO A 57 18.346 -7.352 -8.438 1.00 22.10 H new ATOM 0 HG2 PRO A 57 20.528 -8.535 -6.695 1.00 64.11 H new ATOM 0 HG3 PRO A 57 20.688 -7.445 -8.058 1.00 64.11 H new ATOM 0 HD2 PRO A 57 20.793 -6.567 -5.438 1.00 20.32 H new ATOM 0 HD3 PRO A 57 20.262 -5.539 -6.755 1.00 20.32 H new ATOM 800 N ALA A 58 18.209 -8.801 -4.323 1.00 74.25 N ATOM 801 CA ALA A 58 17.835 -9.840 -3.375 1.00 21.21 C ATOM 802 C ALA A 58 16.721 -9.385 -2.435 1.00 41.03 C ATOM 803 O ALA A 58 16.077 -10.222 -1.808 1.00 4.13 O ATOM 804 CB ALA A 58 19.066 -10.266 -2.598 1.00 3.12 C ATOM 0 H ALA A 58 19.073 -8.308 -4.099 1.00 74.25 H new ATOM 0 HA ALA A 58 17.440 -10.691 -3.930 1.00 21.21 H new ATOM 0 HB1 ALA A 58 18.795 -11.045 -1.885 1.00 3.12 H new ATOM 0 HB2 ALA A 58 19.817 -10.651 -3.288 1.00 3.12 H new ATOM 0 HB3 ALA A 58 19.473 -9.409 -2.062 1.00 3.12 H new ATOM 810 N ASP A 59 16.471 -8.080 -2.326 1.00 3.12 N ATOM 811 CA ASP A 59 15.440 -7.549 -1.440 1.00 71.33 C ATOM 812 C ASP A 59 14.047 -7.784 -2.025 1.00 33.41 C ATOM 813 O ASP A 59 13.069 -7.911 -1.300 1.00 51.20 O ATOM 814 CB ASP A 59 15.684 -6.057 -1.223 1.00 53.11 C ATOM 815 CG ASP A 59 14.801 -5.507 -0.108 1.00 31.01 C ATOM 816 OD1 ASP A 59 15.221 -5.611 1.068 1.00 34.23 O ATOM 817 OD2 ASP A 59 13.780 -4.854 -0.403 1.00 40.21 O ATOM 0 H ASP A 59 16.977 -7.365 -2.849 1.00 3.12 H new ATOM 0 HA ASP A 59 15.491 -8.068 -0.483 1.00 71.33 H new ATOM 0 HB2 ASP A 59 16.732 -5.890 -0.975 1.00 53.11 H new ATOM 0 HB3 ASP A 59 15.485 -5.516 -2.148 1.00 53.11 H new ATOM 821 N VAL A 60 13.926 -7.899 -3.346 1.00 53.11 N ATOM 822 CA VAL A 60 12.669 -8.265 -3.995 1.00 63.41 C ATOM 823 C VAL A 60 12.548 -9.794 -4.011 1.00 54.10 C ATOM 824 O VAL A 60 11.535 -10.355 -3.585 1.00 72.20 O ATOM 825 CB VAL A 60 12.574 -7.560 -5.360 1.00 71.20 C ATOM 826 CG1 VAL A 60 13.827 -7.717 -6.217 1.00 1.21 C ATOM 827 CG2 VAL A 60 11.359 -8.013 -6.159 1.00 34.53 C ATOM 0 H VAL A 60 14.696 -7.741 -3.996 1.00 53.11 H new ATOM 0 HA VAL A 60 11.795 -7.915 -3.445 1.00 63.41 H new ATOM 0 HB VAL A 60 12.469 -6.503 -5.115 1.00 71.20 H new ATOM 0 HG11 VAL A 60 13.688 -7.195 -7.164 1.00 1.21 H new ATOM 0 HG12 VAL A 60 14.683 -7.294 -5.691 1.00 1.21 H new ATOM 0 HG13 VAL A 60 14.006 -8.775 -6.409 1.00 1.21 H new ATOM 0 HG21 VAL A 60 11.335 -7.488 -7.114 1.00 34.53 H new ATOM 0 HG22 VAL A 60 11.420 -9.087 -6.337 1.00 34.53 H new ATOM 0 HG23 VAL A 60 10.451 -7.789 -5.599 1.00 34.53 H new ATOM 837 N SER A 61 13.630 -10.484 -4.369 1.00 73.21 N ATOM 838 CA SER A 61 13.806 -11.928 -4.315 1.00 14.02 C ATOM 839 C SER A 61 13.892 -12.485 -2.877 1.00 61.11 C ATOM 840 O SER A 61 14.467 -13.551 -2.662 1.00 43.22 O ATOM 841 CB SER A 61 15.055 -12.262 -5.132 1.00 53.22 C ATOM 842 OG SER A 61 14.846 -12.129 -6.535 1.00 41.42 O ATOM 0 H SER A 61 14.461 -10.014 -4.728 1.00 73.21 H new ATOM 0 HA SER A 61 12.925 -12.412 -4.737 1.00 14.02 H new ATOM 0 HB2 SER A 61 15.870 -11.606 -4.826 1.00 53.22 H new ATOM 0 HB3 SER A 61 15.367 -13.283 -4.910 1.00 53.22 H new ATOM 0 HG SER A 61 15.673 -12.352 -7.011 1.00 41.42 H new ATOM 847 N MET A 62 13.284 -11.830 -1.889 1.00 23.34 N ATOM 848 CA MET A 62 13.008 -12.385 -0.572 1.00 21.25 C ATOM 849 C MET A 62 11.517 -12.247 -0.284 1.00 35.21 C ATOM 850 O MET A 62 10.905 -13.213 0.154 1.00 1.42 O ATOM 851 CB MET A 62 13.933 -11.793 0.493 1.00 75.11 C ATOM 852 CG MET A 62 13.645 -10.337 0.847 1.00 63.23 C ATOM 853 SD MET A 62 14.934 -9.560 1.845 1.00 53.44 S ATOM 854 CE MET A 62 14.880 -10.651 3.280 1.00 31.21 C ATOM 0 H MET A 62 12.961 -10.868 -1.990 1.00 23.34 H new ATOM 0 HA MET A 62 13.236 -13.451 -0.547 1.00 21.25 H new ATOM 0 HB2 MET A 62 13.855 -12.395 1.398 1.00 75.11 H new ATOM 0 HB3 MET A 62 14.963 -11.872 0.145 1.00 75.11 H new ATOM 0 HG2 MET A 62 13.519 -9.767 -0.074 1.00 63.23 H new ATOM 0 HG3 MET A 62 12.700 -10.284 1.387 1.00 63.23 H new ATOM 0 HE1 MET A 62 15.424 -10.193 4.106 1.00 31.21 H new ATOM 0 HE2 MET A 62 13.843 -10.814 3.574 1.00 31.21 H new ATOM 0 HE3 MET A 62 15.340 -11.607 3.028 1.00 31.21 H new ATOM 862 N ILE A 63 10.900 -11.114 -0.635 1.00 63.40 N ATOM 863 CA ILE A 63 9.486 -10.817 -0.427 1.00 52.10 C ATOM 864 C ILE A 63 8.630 -11.858 -1.150 1.00 52.33 C ATOM 865 O ILE A 63 7.655 -12.361 -0.598 1.00 21.51 O ATOM 866 CB ILE A 63 9.218 -9.377 -0.934 1.00 41.32 C ATOM 867 CG1 ILE A 63 9.964 -8.342 -0.060 1.00 73.30 C ATOM 868 CG2 ILE A 63 7.715 -9.050 -1.002 1.00 73.41 C ATOM 869 CD1 ILE A 63 10.125 -6.990 -0.758 1.00 31.11 C ATOM 0 H ILE A 63 11.397 -10.349 -1.091 1.00 63.40 H new ATOM 0 HA ILE A 63 9.221 -10.867 0.629 1.00 52.10 H new ATOM 0 HB ILE A 63 9.603 -9.320 -1.952 1.00 41.32 H new ATOM 0 HG12 ILE A 63 9.421 -8.202 0.874 1.00 73.30 H new ATOM 0 HG13 ILE A 63 10.948 -8.733 0.199 1.00 73.30 H new ATOM 0 HG21 ILE A 63 7.580 -8.030 -1.363 1.00 73.41 H new ATOM 0 HG22 ILE A 63 7.222 -9.744 -1.683 1.00 73.41 H new ATOM 0 HG23 ILE A 63 7.277 -9.144 -0.008 1.00 73.41 H new ATOM 0 HD11 ILE A 63 10.655 -6.302 -0.100 1.00 31.11 H new ATOM 0 HD12 ILE A 63 10.693 -7.121 -1.679 1.00 31.11 H new ATOM 0 HD13 ILE A 63 9.142 -6.583 -0.993 1.00 31.11 H new ATOM 880 N LYS A 64 9.015 -12.216 -2.378 1.00 31.24 N ATOM 881 CA LYS A 64 8.297 -13.186 -3.209 1.00 51.22 C ATOM 882 C LYS A 64 8.113 -14.510 -2.476 1.00 63.52 C ATOM 883 O LYS A 64 7.064 -15.146 -2.586 1.00 72.23 O ATOM 884 CB LYS A 64 9.071 -13.390 -4.521 1.00 40.43 C ATOM 885 CG LYS A 64 8.920 -12.157 -5.432 1.00 71.13 C ATOM 886 CD LYS A 64 10.147 -11.816 -6.278 1.00 53.24 C ATOM 887 CE LYS A 64 10.256 -12.613 -7.583 1.00 31.55 C ATOM 888 NZ LYS A 64 9.582 -11.948 -8.716 1.00 23.25 N ATOM 0 H LYS A 64 9.846 -11.835 -2.829 1.00 31.24 H new ATOM 0 HA LYS A 64 7.302 -12.799 -3.430 1.00 51.22 H new ATOM 0 HB2 LYS A 64 10.125 -13.564 -4.305 1.00 40.43 H new ATOM 0 HB3 LYS A 64 8.701 -14.277 -5.035 1.00 40.43 H new ATOM 0 HG2 LYS A 64 8.073 -12.320 -6.099 1.00 71.13 H new ATOM 0 HG3 LYS A 64 8.676 -11.295 -4.811 1.00 71.13 H new ATOM 0 HD2 LYS A 64 10.125 -10.753 -6.516 1.00 53.24 H new ATOM 0 HD3 LYS A 64 11.044 -11.991 -5.683 1.00 53.24 H new ATOM 0 HE2 LYS A 64 11.308 -12.760 -7.827 1.00 31.55 H new ATOM 0 HE3 LYS A 64 9.822 -13.602 -7.437 1.00 31.55 H new ATOM 0 HZ1 LYS A 64 9.280 -12.663 -9.409 1.00 23.25 H new ATOM 0 HZ2 LYS A 64 8.750 -11.429 -8.369 1.00 23.25 H new ATOM 0 HZ3 LYS A 64 10.240 -11.283 -9.170 1.00 23.25 H new ATOM 898 N LYS A 65 9.122 -14.917 -1.705 1.00 72.54 N ATOM 899 CA LYS A 65 9.113 -16.180 -0.987 1.00 2.24 C ATOM 900 C LYS A 65 8.228 -16.126 0.252 1.00 53.43 C ATOM 901 O LYS A 65 7.893 -17.186 0.776 1.00 1.24 O ATOM 902 CB LYS A 65 10.550 -16.582 -0.640 1.00 64.41 C ATOM 903 CG LYS A 65 11.385 -16.847 -1.908 1.00 42.02 C ATOM 904 CD LYS A 65 12.506 -15.825 -2.088 1.00 74.23 C ATOM 905 CE LYS A 65 13.678 -16.130 -1.142 1.00 52.22 C ATOM 906 NZ LYS A 65 14.585 -17.156 -1.698 1.00 52.02 N ATOM 0 H LYS A 65 9.972 -14.371 -1.564 1.00 72.54 H new ATOM 0 HA LYS A 65 8.681 -16.943 -1.635 1.00 2.24 H new ATOM 0 HB2 LYS A 65 11.018 -15.792 -0.053 1.00 64.41 H new ATOM 0 HB3 LYS A 65 10.538 -17.477 -0.017 1.00 64.41 H new ATOM 0 HG2 LYS A 65 11.814 -17.848 -1.855 1.00 42.02 H new ATOM 0 HG3 LYS A 65 10.733 -16.825 -2.781 1.00 42.02 H new ATOM 0 HD2 LYS A 65 12.854 -15.838 -3.121 1.00 74.23 H new ATOM 0 HD3 LYS A 65 12.126 -14.823 -1.892 1.00 74.23 H new ATOM 0 HE2 LYS A 65 14.239 -15.215 -0.952 1.00 52.22 H new ATOM 0 HE3 LYS A 65 13.290 -16.471 -0.182 1.00 52.22 H new ATOM 0 HZ1 LYS A 65 15.362 -17.332 -1.029 1.00 52.02 H new ATOM 0 HZ2 LYS A 65 14.057 -18.038 -1.855 1.00 52.02 H new ATOM 0 HZ3 LYS A 65 14.976 -16.821 -2.602 1.00 52.02 H new ATOM 916 N GLN A 66 7.778 -14.947 0.690 1.00 74.54 N ATOM 917 CA GLN A 66 6.788 -14.811 1.745 1.00 54.13 C ATOM 918 C GLN A 66 5.426 -14.626 1.075 1.00 30.54 C ATOM 919 O GLN A 66 4.649 -13.736 1.418 1.00 14.22 O ATOM 920 CB GLN A 66 7.177 -13.692 2.725 1.00 2.21 C ATOM 921 CG GLN A 66 8.249 -14.129 3.742 1.00 44.54 C ATOM 922 CD GLN A 66 9.631 -14.216 3.110 1.00 33.25 C ATOM 923 OE1 GLN A 66 10.039 -15.265 2.621 1.00 71.02 O ATOM 924 NE2 GLN A 66 10.352 -13.111 3.077 1.00 41.31 N ATOM 0 H GLN A 66 8.098 -14.055 0.314 1.00 74.54 H new ATOM 0 HA GLN A 66 6.736 -15.704 2.368 1.00 54.13 H new ATOM 0 HB2 GLN A 66 7.546 -12.835 2.162 1.00 2.21 H new ATOM 0 HB3 GLN A 66 6.288 -13.361 3.262 1.00 2.21 H new ATOM 0 HG2 GLN A 66 8.273 -13.421 4.571 1.00 44.54 H new ATOM 0 HG3 GLN A 66 7.979 -15.099 4.159 1.00 44.54 H new ATOM 0 HE21 GLN A 66 9.989 -12.253 3.491 1.00 41.31 H new ATOM 0 HE22 GLN A 66 11.272 -13.116 2.637 1.00 41.31 H new ATOM 931 N GLY A 67 5.145 -15.475 0.084 1.00 22.51 N ATOM 932 CA GLY A 67 3.822 -15.660 -0.466 1.00 12.11 C ATOM 933 C GLY A 67 3.239 -14.403 -1.072 1.00 2.02 C ATOM 934 O GLY A 67 2.047 -14.161 -0.924 1.00 75.31 O ATOM 0 H GLY A 67 5.853 -16.060 -0.360 1.00 22.51 H new ATOM 0 HA2 GLY A 67 3.860 -16.438 -1.229 1.00 12.11 H new ATOM 0 HA3 GLY A 67 3.157 -16.017 0.320 1.00 12.11 H new ATOM 938 N THR A 68 4.082 -13.595 -1.708 1.00 41.04 N ATOM 939 CA THR A 68 3.699 -12.301 -2.236 1.00 41.43 C ATOM 940 C THR A 68 3.723 -12.356 -3.773 1.00 33.43 C ATOM 941 O THR A 68 4.216 -13.327 -4.356 1.00 24.23 O ATOM 942 CB THR A 68 4.615 -11.254 -1.581 1.00 61.23 C ATOM 943 OG1 THR A 68 4.474 -11.321 -0.175 1.00 15.44 O ATOM 944 CG2 THR A 68 4.287 -9.816 -1.983 1.00 33.34 C ATOM 0 H THR A 68 5.062 -13.829 -1.870 1.00 41.04 H new ATOM 0 HA THR A 68 2.677 -12.012 -1.992 1.00 41.43 H new ATOM 0 HB THR A 68 5.624 -11.490 -1.919 1.00 61.23 H new ATOM 0 HG1 THR A 68 4.730 -12.214 0.137 1.00 15.44 H new ATOM 0 HG21 THR A 68 4.973 -9.133 -1.483 1.00 33.34 H new ATOM 0 HG22 THR A 68 4.390 -9.708 -3.063 1.00 33.34 H new ATOM 0 HG23 THR A 68 3.264 -9.581 -1.690 1.00 33.34 H new ATOM 952 N THR A 69 3.164 -11.344 -4.435 1.00 64.34 N ATOM 953 CA THR A 69 2.985 -11.269 -5.877 1.00 74.24 C ATOM 954 C THR A 69 3.241 -9.845 -6.365 1.00 40.20 C ATOM 955 O THR A 69 3.197 -8.901 -5.572 1.00 22.11 O ATOM 956 CB THR A 69 1.545 -11.642 -6.229 1.00 35.12 C ATOM 957 OG1 THR A 69 0.654 -10.836 -5.471 1.00 22.44 O ATOM 958 CG2 THR A 69 1.245 -13.115 -5.980 1.00 35.13 C ATOM 0 H THR A 69 2.808 -10.518 -3.954 1.00 64.34 H new ATOM 0 HA THR A 69 3.686 -11.955 -6.352 1.00 74.24 H new ATOM 0 HB THR A 69 1.409 -11.463 -7.296 1.00 35.12 H new ATOM 0 HG1 THR A 69 -0.271 -11.071 -5.695 1.00 22.44 H new ATOM 0 HG21 THR A 69 0.209 -13.325 -6.247 1.00 35.13 H new ATOM 0 HG22 THR A 69 1.908 -13.729 -6.589 1.00 35.13 H new ATOM 0 HG23 THR A 69 1.402 -13.345 -4.926 1.00 35.13 H new ATOM 966 N LEU A 70 3.421 -9.684 -7.677 1.00 32.11 N ATOM 967 CA LEU A 70 3.549 -8.390 -8.331 1.00 62.14 C ATOM 968 C LEU A 70 2.252 -7.593 -8.244 1.00 1.15 C ATOM 969 O LEU A 70 2.295 -6.375 -8.205 1.00 54.12 O ATOM 970 CB LEU A 70 3.967 -8.601 -9.793 1.00 24.51 C ATOM 971 CG LEU A 70 4.338 -7.315 -10.557 1.00 12.44 C ATOM 972 CD1 LEU A 70 5.340 -6.435 -9.800 1.00 55.33 C ATOM 973 CD2 LEU A 70 4.957 -7.699 -11.906 1.00 11.34 C ATOM 0 H LEU A 70 3.483 -10.470 -8.325 1.00 32.11 H new ATOM 0 HA LEU A 70 4.316 -7.810 -7.818 1.00 62.14 H new ATOM 0 HB2 LEU A 70 4.820 -9.279 -9.817 1.00 24.51 H new ATOM 0 HB3 LEU A 70 3.152 -9.096 -10.320 1.00 24.51 H new ATOM 0 HG LEU A 70 3.420 -6.740 -10.680 1.00 12.44 H new ATOM 0 HD11 LEU A 70 5.561 -5.545 -10.390 1.00 55.33 H new ATOM 0 HD12 LEU A 70 4.913 -6.139 -8.842 1.00 55.33 H new ATOM 0 HD13 LEU A 70 6.260 -6.995 -9.629 1.00 55.33 H new ATOM 0 HD21 LEU A 70 5.223 -6.795 -12.455 1.00 11.34 H new ATOM 0 HD22 LEU A 70 5.852 -8.298 -11.738 1.00 11.34 H new ATOM 0 HD23 LEU A 70 4.237 -8.276 -12.486 1.00 11.34 H new ATOM 984 N GLU A 71 1.106 -8.261 -8.146 1.00 60.52 N ATOM 985 CA GLU A 71 -0.191 -7.641 -7.898 1.00 35.15 C ATOM 986 C GLU A 71 -0.221 -6.940 -6.536 1.00 74.22 C ATOM 987 O GLU A 71 -0.687 -5.803 -6.433 1.00 43.13 O ATOM 988 CB GLU A 71 -1.251 -8.752 -7.864 1.00 2.11 C ATOM 989 CG GLU A 71 -1.847 -9.197 -9.200 1.00 40.22 C ATOM 990 CD GLU A 71 -3.362 -8.983 -9.194 1.00 60.13 C ATOM 991 OE1 GLU A 71 -4.079 -9.662 -8.421 1.00 71.21 O ATOM 992 OE2 GLU A 71 -3.824 -8.046 -9.890 1.00 62.31 O ATOM 0 H GLU A 71 1.053 -9.275 -8.239 1.00 60.52 H new ATOM 0 HA GLU A 71 -0.381 -6.909 -8.683 1.00 35.15 H new ATOM 0 HB2 GLU A 71 -0.808 -9.625 -7.385 1.00 2.11 H new ATOM 0 HB3 GLU A 71 -2.068 -8.418 -7.225 1.00 2.11 H new ATOM 0 HG2 GLU A 71 -1.395 -8.632 -10.015 1.00 40.22 H new ATOM 0 HG3 GLU A 71 -1.621 -10.249 -9.376 1.00 40.22 H new ATOM 997 N MET A 72 0.231 -7.616 -5.473 1.00 4.24 N ATOM 998 CA MET A 72 0.311 -6.982 -4.162 1.00 11.03 C ATOM 999 C MET A 72 1.307 -5.834 -4.268 1.00 32.21 C ATOM 1000 O MET A 72 1.040 -4.709 -3.851 1.00 61.10 O ATOM 1001 CB MET A 72 0.764 -7.987 -3.088 1.00 54.21 C ATOM 1002 CG MET A 72 -0.219 -8.035 -1.919 1.00 74.51 C ATOM 1003 SD MET A 72 -1.715 -9.030 -2.182 1.00 44.20 S ATOM 1004 CE MET A 72 -0.995 -10.696 -2.195 1.00 33.21 C ATOM 0 H MET A 72 0.542 -8.587 -5.498 1.00 4.24 H new ATOM 0 HA MET A 72 -0.671 -6.615 -3.864 1.00 11.03 H new ATOM 0 HB2 MET A 72 0.854 -8.979 -3.531 1.00 54.21 H new ATOM 0 HB3 MET A 72 1.753 -7.710 -2.723 1.00 54.21 H new ATOM 0 HG2 MET A 72 0.304 -8.424 -1.045 1.00 74.51 H new ATOM 0 HG3 MET A 72 -0.521 -7.015 -1.681 1.00 74.51 H new ATOM 0 HE1 MET A 72 -1.749 -11.421 -1.887 1.00 33.21 H new ATOM 0 HE2 MET A 72 -0.651 -10.936 -3.201 1.00 33.21 H new ATOM 0 HE3 MET A 72 -0.152 -10.733 -1.505 1.00 33.21 H new ATOM 1012 N ILE A 73 2.445 -6.127 -4.889 1.00 1.34 N ATOM 1013 CA ILE A 73 3.557 -5.230 -5.115 1.00 54.21 C ATOM 1014 C ILE A 73 3.255 -4.347 -6.337 1.00 72.50 C ATOM 1015 O ILE A 73 4.143 -3.985 -7.095 1.00 73.11 O ATOM 1016 CB ILE A 73 4.843 -6.090 -5.191 1.00 31.53 C ATOM 1017 CG1 ILE A 73 5.045 -6.885 -3.873 1.00 12.44 C ATOM 1018 CG2 ILE A 73 6.108 -5.312 -5.588 1.00 20.55 C ATOM 1019 CD1 ILE A 73 5.269 -6.064 -2.604 1.00 20.13 C ATOM 0 H ILE A 73 2.619 -7.057 -5.269 1.00 1.34 H new ATOM 0 HA ILE A 73 3.716 -4.520 -4.303 1.00 54.21 H new ATOM 0 HB ILE A 73 4.686 -6.793 -6.009 1.00 31.53 H new ATOM 0 HG12 ILE A 73 4.170 -7.517 -3.719 1.00 12.44 H new ATOM 0 HG13 ILE A 73 5.899 -7.549 -4.004 1.00 12.44 H new ATOM 0 HG21 ILE A 73 6.959 -5.992 -5.616 1.00 20.55 H new ATOM 0 HG22 ILE A 73 5.967 -4.866 -6.572 1.00 20.55 H new ATOM 0 HG23 ILE A 73 6.296 -4.526 -4.857 1.00 20.55 H new ATOM 0 HD11 ILE A 73 5.396 -6.735 -1.754 1.00 20.13 H new ATOM 0 HD12 ILE A 73 6.163 -5.452 -2.720 1.00 20.13 H new ATOM 0 HD13 ILE A 73 4.407 -5.419 -2.431 1.00 20.13 H new ATOM 1030 N THR A 74 2.017 -3.906 -6.493 1.00 14.14 N ATOM 1031 CA THR A 74 1.652 -2.750 -7.293 1.00 4.24 C ATOM 1032 C THR A 74 0.492 -2.030 -6.612 1.00 12.23 C ATOM 1033 O THR A 74 0.431 -0.801 -6.614 1.00 72.20 O ATOM 1034 CB THR A 74 1.279 -3.186 -8.723 1.00 11.31 C ATOM 1035 OG1 THR A 74 0.606 -4.425 -8.759 1.00 20.41 O ATOM 1036 CG2 THR A 74 2.460 -3.240 -9.692 1.00 13.21 C ATOM 0 H THR A 74 1.215 -4.357 -6.053 1.00 14.14 H new ATOM 0 HA THR A 74 2.498 -2.067 -7.371 1.00 4.24 H new ATOM 0 HB THR A 74 0.606 -2.397 -9.059 1.00 11.31 H new ATOM 0 HG1 THR A 74 1.260 -5.154 -8.713 1.00 20.41 H new ATOM 0 HG21 THR A 74 2.110 -3.555 -10.675 1.00 13.21 H new ATOM 0 HG22 THR A 74 2.914 -2.252 -9.768 1.00 13.21 H new ATOM 0 HG23 THR A 74 3.200 -3.951 -9.325 1.00 13.21 H new ATOM 1044 N ALA A 75 -0.382 -2.764 -5.921 1.00 31.11 N ATOM 1045 CA ALA A 75 -1.484 -2.141 -5.198 1.00 35.11 C ATOM 1046 C ALA A 75 -1.019 -1.392 -3.945 1.00 20.22 C ATOM 1047 O ALA A 75 -1.811 -0.679 -3.338 1.00 53.10 O ATOM 1048 CB ALA A 75 -2.539 -3.189 -4.869 1.00 74.33 C ATOM 0 H ALA A 75 -0.347 -3.781 -5.849 1.00 31.11 H new ATOM 0 HA ALA A 75 -1.926 -1.385 -5.847 1.00 35.11 H new ATOM 0 HB1 ALA A 75 -3.361 -2.720 -4.329 1.00 74.33 H new ATOM 0 HB2 ALA A 75 -2.916 -3.629 -5.793 1.00 74.33 H new ATOM 0 HB3 ALA A 75 -2.096 -3.969 -4.250 1.00 74.33 H new ATOM 1054 N TRP A 76 0.250 -1.534 -3.550 1.00 43.33 N ATOM 1055 CA TRP A 76 0.798 -0.874 -2.374 1.00 34.33 C ATOM 1056 C TRP A 76 1.787 0.238 -2.678 1.00 41.03 C ATOM 1057 O TRP A 76 2.112 0.992 -1.753 1.00 20.21 O ATOM 1058 CB TRP A 76 1.425 -1.920 -1.461 1.00 53.33 C ATOM 1059 CG TRP A 76 0.420 -2.604 -0.605 1.00 63.11 C ATOM 1060 CD1 TRP A 76 -0.008 -3.867 -0.774 1.00 14.32 C ATOM 1061 CD2 TRP A 76 -0.375 -2.050 0.487 1.00 3.24 C ATOM 1062 NE1 TRP A 76 -0.943 -4.160 0.192 1.00 12.45 N ATOM 1063 CE2 TRP A 76 -1.182 -3.092 1.024 1.00 75.51 C ATOM 1064 CE3 TRP A 76 -0.528 -0.765 1.058 1.00 34.43 C ATOM 1065 CZ2 TRP A 76 -2.050 -2.890 2.107 1.00 64.52 C ATOM 1066 CZ3 TRP A 76 -1.380 -0.553 2.161 1.00 74.30 C ATOM 1067 CH2 TRP A 76 -2.133 -1.618 2.691 1.00 61.54 C ATOM 0 H TRP A 76 0.926 -2.116 -4.045 1.00 43.33 H new ATOM 0 HA TRP A 76 -0.036 -0.378 -1.877 1.00 34.33 H new ATOM 0 HB2 TRP A 76 1.946 -2.661 -2.067 1.00 53.33 H new ATOM 0 HB3 TRP A 76 2.173 -1.443 -0.827 1.00 53.33 H new ATOM 0 HD1 TRP A 76 0.328 -4.544 -1.545 1.00 14.32 H new ATOM 0 HE1 TRP A 76 -1.405 -5.065 0.281 1.00 12.45 H new ATOM 0 HE3 TRP A 76 0.018 0.069 0.642 1.00 34.43 H new ATOM 0 HZ2 TRP A 76 -2.648 -3.705 2.487 1.00 64.52 H new ATOM 0 HZ3 TRP A 76 -1.455 0.430 2.601 1.00 74.30 H new ATOM 0 HH2 TRP A 76 -2.773 -1.456 3.546 1.00 61.54 H new ATOM 1077 N GLN A 77 2.287 0.368 -3.911 1.00 62.43 N ATOM 1078 CA GLN A 77 2.995 1.556 -4.302 1.00 75.23 C ATOM 1079 C GLN A 77 1.944 2.601 -4.599 1.00 34.54 C ATOM 1080 O GLN A 77 1.959 3.659 -3.975 1.00 22.42 O ATOM 1081 CB GLN A 77 3.884 1.280 -5.513 1.00 20.13 C ATOM 1082 CG GLN A 77 3.263 0.954 -6.861 1.00 71.22 C ATOM 1083 CD GLN A 77 4.248 0.374 -7.855 1.00 62.10 C ATOM 1084 OE1 GLN A 77 4.532 -0.811 -7.815 1.00 74.10 O ATOM 1085 NE2 GLN A 77 4.864 1.153 -8.708 1.00 23.14 N ATOM 0 H GLN A 77 2.207 -0.340 -4.641 1.00 62.43 H new ATOM 0 HA GLN A 77 3.662 1.904 -3.513 1.00 75.23 H new ATOM 0 HB2 GLN A 77 4.519 2.155 -5.653 1.00 20.13 H new ATOM 0 HB3 GLN A 77 4.539 0.449 -5.250 1.00 20.13 H new ATOM 0 HG2 GLN A 77 2.447 0.246 -6.715 1.00 71.22 H new ATOM 0 HG3 GLN A 77 2.827 1.861 -7.280 1.00 71.22 H new ATOM 0 HE21 GLN A 77 4.634 2.146 -8.750 1.00 23.14 H new ATOM 0 HE22 GLN A 77 5.574 0.767 -9.331 1.00 23.14 H new ATOM 1092 N ASP A 78 1.015 2.286 -5.508 1.00 0.35 N ATOM 1093 CA ASP A 78 0.218 3.289 -6.194 1.00 43.30 C ATOM 1094 C ASP A 78 -0.721 3.967 -5.216 1.00 64.43 C ATOM 1095 O ASP A 78 -0.970 5.166 -5.308 1.00 62.33 O ATOM 1096 CB ASP A 78 -0.547 2.672 -7.380 1.00 1.02 C ATOM 1097 CG ASP A 78 -0.074 3.225 -8.730 1.00 51.43 C ATOM 1098 OD1 ASP A 78 0.482 4.347 -8.792 1.00 21.44 O ATOM 1099 OD2 ASP A 78 -0.283 2.558 -9.764 1.00 34.55 O ATOM 0 H ASP A 78 0.800 1.328 -5.783 1.00 0.35 H new ATOM 0 HA ASP A 78 0.886 4.047 -6.603 1.00 43.30 H new ATOM 0 HB2 ASP A 78 -0.419 1.590 -7.368 1.00 1.02 H new ATOM 0 HB3 ASP A 78 -1.613 2.868 -7.263 1.00 1.02 H new ATOM 1103 N PHE A 79 -1.116 3.208 -4.192 1.00 74.24 N ATOM 1104 CA PHE A 79 -1.911 3.685 -3.073 1.00 71.51 C ATOM 1105 C PHE A 79 -1.272 4.928 -2.445 1.00 61.14 C ATOM 1106 O PHE A 79 -1.985 5.859 -2.074 1.00 44.33 O ATOM 1107 CB PHE A 79 -2.060 2.545 -2.056 1.00 41.03 C ATOM 1108 CG PHE A 79 -2.843 2.924 -0.817 1.00 4.32 C ATOM 1109 CD1 PHE A 79 -2.190 3.522 0.276 1.00 75.50 C ATOM 1110 CD2 PHE A 79 -4.230 2.710 -0.763 1.00 41.03 C ATOM 1111 CE1 PHE A 79 -2.924 3.923 1.404 1.00 62.40 C ATOM 1112 CE2 PHE A 79 -4.957 3.069 0.384 1.00 22.55 C ATOM 1113 CZ PHE A 79 -4.308 3.692 1.464 1.00 34.42 C ATOM 0 H PHE A 79 -0.882 2.218 -4.122 1.00 74.24 H new ATOM 0 HA PHE A 79 -2.901 3.982 -3.418 1.00 71.51 H new ATOM 0 HB2 PHE A 79 -2.552 1.702 -2.540 1.00 41.03 H new ATOM 0 HB3 PHE A 79 -1.068 2.206 -1.757 1.00 41.03 H new ATOM 0 HD1 PHE A 79 -1.121 3.673 0.248 1.00 75.50 H new ATOM 0 HD2 PHE A 79 -4.739 2.268 -1.606 1.00 41.03 H new ATOM 0 HE1 PHE A 79 -2.423 4.410 2.227 1.00 62.40 H new ATOM 0 HE2 PHE A 79 -6.016 2.866 0.436 1.00 22.55 H new ATOM 0 HZ PHE A 79 -4.871 3.992 2.336 1.00 34.42 H new ATOM 1122 N TYR A 80 0.061 4.956 -2.337 1.00 71.24 N ATOM 1123 CA TYR A 80 0.818 6.092 -1.836 1.00 55.41 C ATOM 1124 C TYR A 80 1.387 6.978 -2.949 1.00 32.23 C ATOM 1125 O TYR A 80 1.599 8.162 -2.700 1.00 55.30 O ATOM 1126 CB TYR A 80 1.938 5.618 -0.915 1.00 72.51 C ATOM 1127 CG TYR A 80 1.471 4.947 0.354 1.00 63.23 C ATOM 1128 CD1 TYR A 80 0.679 5.650 1.283 1.00 73.51 C ATOM 1129 CD2 TYR A 80 1.861 3.624 0.615 1.00 52.13 C ATOM 1130 CE1 TYR A 80 0.253 5.021 2.465 1.00 2.01 C ATOM 1131 CE2 TYR A 80 1.481 3.012 1.818 1.00 31.54 C ATOM 1132 CZ TYR A 80 0.638 3.686 2.723 1.00 4.12 C ATOM 1133 OH TYR A 80 0.283 3.057 3.871 1.00 41.23 O ATOM 0 H TYR A 80 0.650 4.167 -2.604 1.00 71.24 H new ATOM 0 HA TYR A 80 0.116 6.709 -1.275 1.00 55.41 H new ATOM 0 HB2 TYR A 80 2.572 4.923 -1.465 1.00 72.51 H new ATOM 0 HB3 TYR A 80 2.558 6.474 -0.650 1.00 72.51 H new ATOM 0 HD1 TYR A 80 0.399 6.674 1.086 1.00 73.51 H new ATOM 0 HD2 TYR A 80 2.451 3.080 -0.108 1.00 52.13 H new ATOM 0 HE1 TYR A 80 -0.365 5.555 3.172 1.00 2.01 H new ATOM 0 HE2 TYR A 80 1.836 2.019 2.052 1.00 31.54 H new ATOM 0 HH TYR A 80 0.639 2.144 3.867 1.00 41.23 H new ATOM 1142 N GLU A 81 1.682 6.460 -4.147 1.00 1.42 N ATOM 1143 CA GLU A 81 2.161 7.276 -5.272 1.00 22.31 C ATOM 1144 C GLU A 81 1.088 8.301 -5.655 1.00 63.53 C ATOM 1145 O GLU A 81 1.414 9.456 -5.932 1.00 44.41 O ATOM 1146 CB GLU A 81 2.639 6.430 -6.482 1.00 52.11 C ATOM 1147 CG GLU A 81 3.859 5.545 -6.153 1.00 64.20 C ATOM 1148 CD GLU A 81 4.632 4.999 -7.363 1.00 24.55 C ATOM 1149 OE1 GLU A 81 4.269 3.935 -7.916 1.00 73.53 O ATOM 1150 OE2 GLU A 81 5.667 5.621 -7.703 1.00 60.53 O ATOM 0 H GLU A 81 1.596 5.467 -4.365 1.00 1.42 H new ATOM 0 HA GLU A 81 3.052 7.811 -4.944 1.00 22.31 H new ATOM 0 HB2 GLU A 81 1.819 5.797 -6.823 1.00 52.11 H new ATOM 0 HB3 GLU A 81 2.892 7.096 -7.307 1.00 52.11 H new ATOM 0 HG2 GLU A 81 4.547 6.122 -5.536 1.00 64.20 H new ATOM 0 HG3 GLU A 81 3.521 4.702 -5.550 1.00 64.20 H new ATOM 1155 N GLN A 82 -0.194 7.943 -5.583 1.00 71.51 N ATOM 1156 CA GLN A 82 -1.281 8.882 -5.819 1.00 2.23 C ATOM 1157 C GLN A 82 -1.385 9.952 -4.731 1.00 2.05 C ATOM 1158 O GLN A 82 -1.998 10.990 -4.981 1.00 11.23 O ATOM 1159 CB GLN A 82 -2.611 8.127 -5.965 1.00 44.12 C ATOM 1160 CG GLN A 82 -2.891 7.773 -7.428 1.00 72.41 C ATOM 1161 CD GLN A 82 -2.110 6.562 -7.919 1.00 11.34 C ATOM 1162 OE1 GLN A 82 -2.666 5.474 -8.030 1.00 14.31 O ATOM 1163 NE2 GLN A 82 -0.861 6.710 -8.313 1.00 1.32 N ATOM 0 H GLN A 82 -0.503 6.997 -5.360 1.00 71.51 H new ATOM 0 HA GLN A 82 -1.058 9.404 -6.749 1.00 2.23 H new ATOM 0 HB2 GLN A 82 -2.582 7.216 -5.367 1.00 44.12 H new ATOM 0 HB3 GLN A 82 -3.424 8.739 -5.574 1.00 44.12 H new ATOM 0 HG2 GLN A 82 -3.957 7.582 -7.550 1.00 72.41 H new ATOM 0 HG3 GLN A 82 -2.647 8.631 -8.054 1.00 72.41 H new ATOM 0 HE21 GLN A 82 -0.401 7.615 -8.220 1.00 1.32 H new ATOM 0 HE22 GLN A 82 -0.355 5.919 -8.711 1.00 1.32 H new ATOM 1170 N GLU A 83 -0.793 9.764 -3.551 1.00 3.32 N ATOM 1171 CA GLU A 83 -0.833 10.795 -2.520 1.00 63.33 C ATOM 1172 C GLU A 83 0.133 11.916 -2.896 1.00 73.20 C ATOM 1173 O GLU A 83 -0.172 13.083 -2.661 1.00 23.15 O ATOM 1174 CB GLU A 83 -0.529 10.224 -1.125 1.00 2.32 C ATOM 1175 CG GLU A 83 -1.319 8.959 -0.759 1.00 13.11 C ATOM 1176 CD GLU A 83 -2.839 9.101 -0.637 1.00 55.10 C ATOM 1177 OE1 GLU A 83 -3.476 9.860 -1.398 1.00 43.40 O ATOM 1178 OE2 GLU A 83 -3.441 8.359 0.175 1.00 15.14 O ATOM 0 H GLU A 83 -0.287 8.918 -3.290 1.00 3.32 H new ATOM 0 HA GLU A 83 -1.843 11.200 -2.466 1.00 63.33 H new ATOM 0 HB2 GLU A 83 0.536 10.000 -1.064 1.00 2.32 H new ATOM 0 HB3 GLU A 83 -0.736 10.993 -0.380 1.00 2.32 H new ATOM 0 HG2 GLU A 83 -1.109 8.199 -1.511 1.00 13.11 H new ATOM 0 HG3 GLU A 83 -0.936 8.583 0.190 1.00 13.11 H new ATOM 1183 N GLN A 84 1.255 11.598 -3.559 1.00 1.42 N ATOM 1184 CA GLN A 84 2.193 12.619 -4.015 1.00 2.21 C ATOM 1185 C GLN A 84 1.516 13.600 -4.960 1.00 34.42 C ATOM 1186 O GLN A 84 1.820 14.791 -4.885 1.00 55.21 O ATOM 1187 CB GLN A 84 3.431 12.015 -4.703 1.00 60.22 C ATOM 1188 CG GLN A 84 4.545 11.724 -3.697 1.00 74.25 C ATOM 1189 CD GLN A 84 4.115 10.638 -2.735 1.00 72.45 C ATOM 1190 OE1 GLN A 84 3.769 10.898 -1.588 1.00 63.51 O ATOM 1191 NE2 GLN A 84 4.102 9.404 -3.193 1.00 52.11 N ATOM 0 H GLN A 84 1.529 10.643 -3.788 1.00 1.42 H new ATOM 0 HA GLN A 84 2.528 13.147 -3.122 1.00 2.21 H new ATOM 0 HB2 GLN A 84 3.151 11.094 -5.214 1.00 60.22 H new ATOM 0 HB3 GLN A 84 3.798 12.703 -5.464 1.00 60.22 H new ATOM 0 HG2 GLN A 84 5.448 11.416 -4.224 1.00 74.25 H new ATOM 0 HG3 GLN A 84 4.792 12.631 -3.145 1.00 74.25 H new ATOM 0 HE21 GLN A 84 4.394 9.213 -4.151 1.00 52.11 H new ATOM 0 HE22 GLN A 84 3.799 8.639 -2.590 1.00 52.11 H new ATOM 1198 N GLN A 85 0.602 13.128 -5.820 1.00 72.20 N ATOM 1199 CA GLN A 85 0.004 14.006 -6.816 1.00 60.34 C ATOM 1200 C GLN A 85 -0.705 15.178 -6.128 1.00 35.53 C ATOM 1201 O GLN A 85 -0.577 16.313 -6.582 1.00 12.42 O ATOM 1202 CB GLN A 85 -0.871 13.240 -7.833 1.00 12.24 C ATOM 1203 CG GLN A 85 -2.383 13.176 -7.548 1.00 43.32 C ATOM 1204 CD GLN A 85 -3.100 12.355 -8.619 1.00 12.34 C ATOM 1205 OE1 GLN A 85 -3.132 12.741 -9.784 1.00 63.50 O ATOM 1206 NE2 GLN A 85 -3.699 11.232 -8.264 1.00 53.40 N ATOM 0 H GLN A 85 0.271 12.163 -5.842 1.00 72.20 H new ATOM 0 HA GLN A 85 0.799 14.436 -7.426 1.00 60.34 H new ATOM 0 HB2 GLN A 85 -0.730 13.697 -8.812 1.00 12.24 H new ATOM 0 HB3 GLN A 85 -0.496 12.219 -7.901 1.00 12.24 H new ATOM 0 HG2 GLN A 85 -2.555 12.733 -6.567 1.00 43.32 H new ATOM 0 HG3 GLN A 85 -2.796 14.184 -7.519 1.00 43.32 H new ATOM 0 HE21 GLN A 85 -3.666 10.921 -7.293 1.00 53.40 H new ATOM 0 HE22 GLN A 85 -4.195 10.676 -8.961 1.00 53.40 H new ATOM 1213 N ARG A 86 -1.379 14.906 -5.002 1.00 15.33 N ATOM 1214 CA ARG A 86 -2.187 15.880 -4.275 1.00 75.14 C ATOM 1215 C ARG A 86 -1.434 16.558 -3.129 1.00 24.14 C ATOM 1216 O ARG A 86 -1.666 17.736 -2.864 1.00 74.30 O ATOM 1217 CB ARG A 86 -3.486 15.210 -3.800 1.00 75.50 C ATOM 1218 CG ARG A 86 -3.273 14.058 -2.805 1.00 72.50 C ATOM 1219 CD ARG A 86 -4.585 13.631 -2.133 1.00 73.50 C ATOM 1220 NE ARG A 86 -4.793 12.175 -2.201 1.00 24.12 N ATOM 1221 CZ ARG A 86 -5.824 11.537 -2.758 1.00 4.13 C ATOM 1222 NH1 ARG A 86 -6.885 12.195 -3.202 1.00 22.21 N ATOM 1223 NH2 ARG A 86 -5.734 10.225 -2.917 1.00 73.40 N ATOM 0 H ARG A 86 -1.374 13.983 -4.567 1.00 15.33 H new ATOM 0 HA ARG A 86 -2.433 16.690 -4.962 1.00 75.14 H new ATOM 0 HB2 ARG A 86 -4.122 15.964 -3.335 1.00 75.50 H new ATOM 0 HB3 ARG A 86 -4.024 14.830 -4.668 1.00 75.50 H new ATOM 0 HG2 ARG A 86 -2.837 13.205 -3.325 1.00 72.50 H new ATOM 0 HG3 ARG A 86 -2.558 14.365 -2.042 1.00 72.50 H new ATOM 0 HD2 ARG A 86 -4.577 13.947 -1.090 1.00 73.50 H new ATOM 0 HD3 ARG A 86 -5.421 14.139 -2.614 1.00 73.50 H new ATOM 0 HE ARG A 86 -4.072 11.592 -1.777 1.00 24.12 H new ATOM 0 HH11 ARG A 86 -6.925 13.211 -3.122 1.00 22.21 H new ATOM 0 HH12 ARG A 86 -7.661 11.685 -3.624 1.00 22.21 H new ATOM 0 HH21 ARG A 86 -4.893 9.731 -2.617 1.00 73.40 H new ATOM 0 HH22 ARG A 86 -6.505 9.708 -3.340 1.00 73.40 H new ATOM 1234 N ASN A 87 -0.540 15.858 -2.425 1.00 72.50 N ATOM 1235 CA ASN A 87 0.227 16.408 -1.315 1.00 61.15 C ATOM 1236 C ASN A 87 1.661 15.919 -1.384 1.00 71.54 C ATOM 1237 O ASN A 87 1.980 14.814 -0.948 1.00 64.12 O ATOM 1238 CB ASN A 87 -0.395 16.223 0.089 1.00 75.32 C ATOM 1239 CG ASN A 87 -1.270 15.004 0.346 1.00 72.13 C ATOM 1240 OD1 ASN A 87 -2.470 15.146 0.583 1.00 61.32 O ATOM 1241 ND2 ASN A 87 -0.715 13.812 0.346 1.00 23.15 N ATOM 0 H ASN A 87 -0.329 14.879 -2.617 1.00 72.50 H new ATOM 0 HA ASN A 87 0.205 17.490 -1.448 1.00 61.15 H new ATOM 0 HB2 ASN A 87 0.421 16.203 0.812 1.00 75.32 H new ATOM 0 HB3 ASN A 87 -0.991 17.109 0.306 1.00 75.32 H new ATOM 0 HD21 ASN A 87 -1.280 12.986 0.544 1.00 23.15 H new ATOM 0 HD22 ASN A 87 0.281 13.713 0.148 1.00 23.15 H new ATOM 1247 N GLU A 88 2.548 16.765 -1.905 1.00 44.02 N ATOM 1248 CA GLU A 88 3.989 16.521 -1.903 1.00 73.52 C ATOM 1249 C GLU A 88 4.555 16.469 -0.483 1.00 42.21 C ATOM 1250 O GLU A 88 5.562 15.808 -0.230 1.00 62.55 O ATOM 1251 CB GLU A 88 4.709 17.631 -2.683 1.00 51.12 C ATOM 1252 CG GLU A 88 4.696 19.015 -2.012 1.00 51.21 C ATOM 1253 CD GLU A 88 5.359 20.066 -2.893 1.00 52.22 C ATOM 1254 OE1 GLU A 88 6.519 19.827 -3.301 1.00 72.34 O ATOM 1255 OE2 GLU A 88 4.736 21.122 -3.144 1.00 60.52 O ATOM 0 H GLU A 88 2.284 17.647 -2.344 1.00 44.02 H new ATOM 0 HA GLU A 88 4.155 15.554 -2.377 1.00 73.52 H new ATOM 0 HB2 GLU A 88 5.745 17.330 -2.839 1.00 51.12 H new ATOM 0 HB3 GLU A 88 4.250 17.718 -3.668 1.00 51.12 H new ATOM 0 HG2 GLU A 88 3.668 19.310 -1.802 1.00 51.21 H new ATOM 0 HG3 GLU A 88 5.214 18.962 -1.054 1.00 51.21 H new ATOM 1260 N ASN A 89 3.927 17.206 0.436 1.00 0.24 N ATOM 1261 CA ASN A 89 4.479 17.601 1.732 1.00 13.42 C ATOM 1262 C ASN A 89 4.399 16.482 2.775 1.00 71.45 C ATOM 1263 O ASN A 89 4.466 16.727 3.977 1.00 32.44 O ATOM 1264 CB ASN A 89 3.787 18.899 2.201 1.00 11.44 C ATOM 1265 CG ASN A 89 4.808 20.022 2.226 1.00 44.11 C ATOM 1266 OD1 ASN A 89 5.441 20.274 3.248 1.00 42.41 O ATOM 1267 ND2 ASN A 89 5.008 20.683 1.100 1.00 72.55 N ATOM 0 H ASN A 89 2.981 17.558 0.290 1.00 0.24 H new ATOM 0 HA ASN A 89 5.545 17.795 1.612 1.00 13.42 H new ATOM 0 HB2 ASN A 89 2.966 19.152 1.530 1.00 11.44 H new ATOM 0 HB3 ASN A 89 3.357 18.759 3.193 1.00 11.44 H new ATOM 0 HD21 ASN A 89 5.705 21.427 1.062 1.00 72.55 H new ATOM 0 HD22 ASN A 89 4.466 20.449 0.268 1.00 72.55 H new ATOM 1273 N ASN A 90 4.204 15.243 2.327 1.00 44.34 N ATOM 1274 CA ASN A 90 3.854 14.092 3.138 1.00 1.03 C ATOM 1275 C ASN A 90 4.913 13.005 2.905 1.00 2.44 C ATOM 1276 O ASN A 90 4.693 12.075 2.124 1.00 63.45 O ATOM 1277 CB ASN A 90 2.412 13.703 2.775 1.00 15.03 C ATOM 1278 CG ASN A 90 1.828 12.618 3.660 1.00 20.33 C ATOM 1279 OD1 ASN A 90 0.821 12.829 4.326 1.00 14.42 O ATOM 1280 ND2 ASN A 90 2.415 11.440 3.693 1.00 71.54 N ATOM 0 H ASN A 90 4.292 15.009 1.338 1.00 44.34 H new ATOM 0 HA ASN A 90 3.862 14.282 4.211 1.00 1.03 H new ATOM 0 HB2 ASN A 90 1.780 14.589 2.838 1.00 15.03 H new ATOM 0 HB3 ASN A 90 2.387 13.366 1.739 1.00 15.03 H new ATOM 0 HD21 ASN A 90 2.032 10.695 4.276 1.00 71.54 H new ATOM 0 HD22 ASN A 90 3.253 11.272 3.136 1.00 71.54 H new ATOM 1286 N PRO A 91 6.089 13.110 3.553 1.00 1.41 N ATOM 1287 CA PRO A 91 7.256 12.284 3.243 1.00 40.52 C ATOM 1288 C PRO A 91 6.999 10.800 3.488 1.00 72.12 C ATOM 1289 O PRO A 91 7.566 9.955 2.804 1.00 75.11 O ATOM 1290 CB PRO A 91 8.385 12.792 4.149 1.00 11.40 C ATOM 1291 CG PRO A 91 7.660 13.524 5.279 1.00 75.35 C ATOM 1292 CD PRO A 91 6.402 14.056 4.613 1.00 54.14 C ATOM 0 HA PRO A 91 7.509 12.368 2.186 1.00 40.52 H new ATOM 0 HB2 PRO A 91 8.989 11.969 4.531 1.00 11.40 H new ATOM 0 HB3 PRO A 91 9.058 13.459 3.610 1.00 11.40 H new ATOM 0 HG2 PRO A 91 7.423 12.852 6.104 1.00 75.35 H new ATOM 0 HG3 PRO A 91 8.268 14.330 5.689 1.00 75.35 H new ATOM 0 HD2 PRO A 91 5.582 14.130 5.327 1.00 54.14 H new ATOM 0 HD3 PRO A 91 6.565 15.056 4.210 1.00 54.14 H new ATOM 1297 N THR A 92 6.151 10.482 4.459 1.00 63.03 N ATOM 1298 CA THR A 92 5.810 9.144 4.890 1.00 60.32 C ATOM 1299 C THR A 92 5.266 8.330 3.717 1.00 63.41 C ATOM 1300 O THR A 92 5.899 7.347 3.331 1.00 13.43 O ATOM 1301 CB THR A 92 4.869 9.287 6.099 1.00 41.34 C ATOM 1302 OG1 THR A 92 5.301 10.375 6.907 1.00 3.50 O ATOM 1303 CG2 THR A 92 4.874 8.039 6.965 1.00 22.42 C ATOM 0 H THR A 92 5.658 11.197 4.993 1.00 63.03 H new ATOM 0 HA THR A 92 6.676 8.570 5.221 1.00 60.32 H new ATOM 0 HB THR A 92 3.863 9.451 5.713 1.00 41.34 H new ATOM 0 HG1 THR A 92 4.702 10.469 7.677 1.00 3.50 H new ATOM 0 HG21 THR A 92 4.198 8.179 7.808 1.00 22.42 H new ATOM 0 HG22 THR A 92 4.545 7.184 6.374 1.00 22.42 H new ATOM 0 HG23 THR A 92 5.883 7.857 7.335 1.00 22.42 H new ATOM 1311 N ALA A 93 4.169 8.783 3.096 1.00 61.55 N ATOM 1312 CA ALA A 93 3.691 8.255 1.822 1.00 0.32 C ATOM 1313 C ALA A 93 4.829 8.259 0.793 1.00 33.21 C ATOM 1314 O ALA A 93 5.118 7.220 0.209 1.00 1.13 O ATOM 1315 CB ALA A 93 2.491 9.071 1.325 1.00 64.11 C ATOM 0 H ALA A 93 3.587 9.532 3.471 1.00 61.55 H new ATOM 0 HA ALA A 93 3.361 7.225 1.962 1.00 0.32 H new ATOM 0 HB1 ALA A 93 2.145 8.666 0.374 1.00 64.11 H new ATOM 0 HB2 ALA A 93 1.686 9.017 2.057 1.00 64.11 H new ATOM 0 HB3 ALA A 93 2.789 10.111 1.190 1.00 64.11 H new ATOM 1321 N LYS A 94 5.498 9.399 0.594 1.00 32.10 N ATOM 1322 CA LYS A 94 6.491 9.602 -0.462 1.00 13.33 C ATOM 1323 C LYS A 94 7.563 8.515 -0.504 1.00 62.31 C ATOM 1324 O LYS A 94 7.750 7.893 -1.551 1.00 62.32 O ATOM 1325 CB LYS A 94 7.039 11.038 -0.353 1.00 15.12 C ATOM 1326 CG LYS A 94 7.734 11.541 -1.626 1.00 64.15 C ATOM 1327 CD LYS A 94 7.628 13.069 -1.788 1.00 34.33 C ATOM 1328 CE LYS A 94 8.283 13.822 -0.621 1.00 23.31 C ATOM 1329 NZ LYS A 94 8.275 15.293 -0.780 1.00 31.53 N ATOM 0 H LYS A 94 5.360 10.225 1.177 1.00 32.10 H new ATOM 0 HA LYS A 94 6.009 9.498 -1.434 1.00 13.33 H new ATOM 0 HB2 LYS A 94 6.217 11.712 -0.110 1.00 15.12 H new ATOM 0 HB3 LYS A 94 7.745 11.084 0.476 1.00 15.12 H new ATOM 0 HG2 LYS A 94 8.785 11.253 -1.601 1.00 64.15 H new ATOM 0 HG3 LYS A 94 7.291 11.055 -2.495 1.00 64.15 H new ATOM 0 HD2 LYS A 94 8.102 13.367 -2.723 1.00 34.33 H new ATOM 0 HD3 LYS A 94 6.578 13.353 -1.858 1.00 34.33 H new ATOM 0 HE2 LYS A 94 7.765 13.563 0.303 1.00 23.31 H new ATOM 0 HE3 LYS A 94 9.313 13.483 -0.515 1.00 23.31 H new ATOM 0 HZ1 LYS A 94 8.941 15.719 -0.104 1.00 31.53 H new ATOM 0 HZ2 LYS A 94 8.561 15.539 -1.749 1.00 31.53 H new ATOM 0 HZ3 LYS A 94 7.318 15.657 -0.598 1.00 31.53 H new ATOM 1339 N TYR A 95 8.267 8.268 0.602 1.00 43.01 N ATOM 1340 CA TYR A 95 9.295 7.235 0.647 1.00 3.12 C ATOM 1341 C TYR A 95 8.691 5.853 0.448 1.00 61.11 C ATOM 1342 O TYR A 95 9.221 5.095 -0.363 1.00 3.42 O ATOM 1343 CB TYR A 95 10.077 7.276 1.967 1.00 55.52 C ATOM 1344 CG TYR A 95 10.968 8.490 2.119 1.00 22.31 C ATOM 1345 CD1 TYR A 95 12.113 8.630 1.313 1.00 41.32 C ATOM 1346 CD2 TYR A 95 10.670 9.466 3.083 1.00 35.01 C ATOM 1347 CE1 TYR A 95 12.946 9.752 1.456 1.00 61.45 C ATOM 1348 CE2 TYR A 95 11.506 10.579 3.250 1.00 0.51 C ATOM 1349 CZ TYR A 95 12.649 10.728 2.437 1.00 1.24 C ATOM 1350 OH TYR A 95 13.493 11.777 2.644 1.00 33.03 O ATOM 0 H TYR A 95 8.141 8.773 1.479 1.00 43.01 H new ATOM 0 HA TYR A 95 9.988 7.438 -0.170 1.00 3.12 H new ATOM 0 HB2 TYR A 95 9.370 7.251 2.797 1.00 55.52 H new ATOM 0 HB3 TYR A 95 10.689 6.377 2.042 1.00 55.52 H new ATOM 0 HD1 TYR A 95 12.352 7.872 0.582 1.00 41.32 H new ATOM 0 HD2 TYR A 95 9.790 9.359 3.700 1.00 35.01 H new ATOM 0 HE1 TYR A 95 13.810 9.870 0.819 1.00 61.45 H new ATOM 0 HE2 TYR A 95 11.275 11.321 4.000 1.00 0.51 H new ATOM 0 HH TYR A 95 13.134 12.351 3.353 1.00 33.03 H new ATOM 1359 N ARG A 96 7.633 5.472 1.177 1.00 44.44 N ATOM 1360 CA ARG A 96 7.128 4.113 1.058 1.00 31.43 C ATOM 1361 C ARG A 96 6.526 3.826 -0.320 1.00 44.20 C ATOM 1362 O ARG A 96 6.705 2.716 -0.805 1.00 42.24 O ATOM 1363 CB ARG A 96 6.222 3.761 2.240 1.00 35.23 C ATOM 1364 CG ARG A 96 4.864 4.462 2.312 1.00 40.10 C ATOM 1365 CD ARG A 96 4.280 4.347 3.729 1.00 54.10 C ATOM 1366 NE ARG A 96 3.102 5.210 3.906 1.00 11.01 N ATOM 1367 CZ ARG A 96 2.625 5.674 5.070 1.00 32.34 C ATOM 1368 NH1 ARG A 96 3.088 5.232 6.236 1.00 22.32 N ATOM 1369 NH2 ARG A 96 1.680 6.609 5.055 1.00 24.05 N ATOM 0 H ARG A 96 7.129 6.069 1.833 1.00 44.44 H new ATOM 0 HA ARG A 96 7.974 3.428 1.119 1.00 31.43 H new ATOM 0 HB2 ARG A 96 6.047 2.685 2.223 1.00 35.23 H new ATOM 0 HB3 ARG A 96 6.765 3.981 3.159 1.00 35.23 H new ATOM 0 HG2 ARG A 96 4.974 5.512 2.041 1.00 40.10 H new ATOM 0 HG3 ARG A 96 4.178 4.017 1.591 1.00 40.10 H new ATOM 0 HD2 ARG A 96 4.004 3.311 3.926 1.00 54.10 H new ATOM 0 HD3 ARG A 96 5.042 4.618 4.459 1.00 54.10 H new ATOM 0 HE ARG A 96 2.599 5.482 3.061 1.00 11.01 H new ATOM 0 HH11 ARG A 96 3.822 4.524 6.258 1.00 22.32 H new ATOM 0 HH12 ARG A 96 2.709 5.601 7.108 1.00 22.32 H new ATOM 0 HH21 ARG A 96 1.328 6.964 4.166 1.00 24.05 H new ATOM 0 HH22 ARG A 96 1.307 6.972 5.933 1.00 24.05 H new ATOM 1380 N ALA A 97 5.902 4.800 -0.989 1.00 71.40 N ATOM 1381 CA ALA A 97 5.459 4.691 -2.372 1.00 34.44 C ATOM 1382 C ALA A 97 6.650 4.366 -3.268 1.00 55.25 C ATOM 1383 O ALA A 97 6.654 3.346 -3.960 1.00 4.31 O ATOM 1384 CB ALA A 97 4.810 6.013 -2.793 1.00 23.25 C ATOM 0 H ALA A 97 5.688 5.705 -0.570 1.00 71.40 H new ATOM 0 HA ALA A 97 4.727 3.889 -2.469 1.00 34.44 H new ATOM 0 HB1 ALA A 97 4.475 5.941 -3.828 1.00 23.25 H new ATOM 0 HB2 ALA A 97 3.956 6.220 -2.149 1.00 23.25 H new ATOM 0 HB3 ALA A 97 5.537 6.820 -2.703 1.00 23.25 H new ATOM 1390 N ARG A 98 7.671 5.231 -3.209 1.00 74.33 N ATOM 1391 CA ARG A 98 8.912 5.104 -3.960 1.00 53.35 C ATOM 1392 C ARG A 98 9.551 3.742 -3.723 1.00 12.14 C ATOM 1393 O ARG A 98 10.048 3.128 -4.666 1.00 75.32 O ATOM 1394 CB ARG A 98 9.851 6.274 -3.588 1.00 33.30 C ATOM 1395 CG ARG A 98 9.490 7.510 -4.420 1.00 12.04 C ATOM 1396 CD ARG A 98 10.279 8.779 -4.084 1.00 15.30 C ATOM 1397 NE ARG A 98 9.997 9.834 -5.081 1.00 64.15 N ATOM 1398 CZ ARG A 98 10.209 11.151 -4.946 1.00 31.41 C ATOM 1399 NH1 ARG A 98 10.785 11.636 -3.848 1.00 32.22 N ATOM 1400 NH2 ARG A 98 9.828 11.992 -5.903 1.00 21.20 N ATOM 0 H ARG A 98 7.648 6.061 -2.617 1.00 74.33 H new ATOM 0 HA ARG A 98 8.707 5.163 -5.029 1.00 53.35 H new ATOM 0 HB2 ARG A 98 9.763 6.500 -2.525 1.00 33.30 H new ATOM 0 HB3 ARG A 98 10.888 5.992 -3.769 1.00 33.30 H new ATOM 0 HG2 ARG A 98 9.642 7.276 -5.474 1.00 12.04 H new ATOM 0 HG3 ARG A 98 8.428 7.717 -4.290 1.00 12.04 H new ATOM 0 HD2 ARG A 98 10.011 9.129 -3.087 1.00 15.30 H new ATOM 0 HD3 ARG A 98 11.346 8.559 -4.068 1.00 15.30 H new ATOM 0 HE ARG A 98 9.598 9.526 -5.968 1.00 64.15 H new ATOM 0 HH11 ARG A 98 11.070 11.004 -3.100 1.00 32.22 H new ATOM 0 HH12 ARG A 98 10.942 12.640 -3.755 1.00 32.22 H new ATOM 0 HH21 ARG A 98 9.373 11.636 -6.743 1.00 21.20 H new ATOM 0 HH22 ARG A 98 9.991 12.993 -5.797 1.00 21.20 H new ATOM 1411 N LEU A 99 9.546 3.272 -2.476 1.00 24.14 N ATOM 1412 CA LEU A 99 10.072 1.972 -2.096 1.00 0.22 C ATOM 1413 C LEU A 99 9.298 0.875 -2.799 1.00 63.55 C ATOM 1414 O LEU A 99 9.901 0.154 -3.579 1.00 42.12 O ATOM 1415 CB LEU A 99 10.065 1.811 -0.571 1.00 20.43 C ATOM 1416 CG LEU A 99 10.474 0.410 -0.090 1.00 61.51 C ATOM 1417 CD1 LEU A 99 11.806 -0.038 -0.674 1.00 35.41 C ATOM 1418 CD2 LEU A 99 10.604 0.435 1.433 1.00 23.41 C ATOM 0 H LEU A 99 9.167 3.799 -1.689 1.00 24.14 H new ATOM 0 HA LEU A 99 11.111 1.894 -2.415 1.00 0.22 H new ATOM 0 HB2 LEU A 99 10.742 2.546 -0.135 1.00 20.43 H new ATOM 0 HB3 LEU A 99 9.066 2.036 -0.196 1.00 20.43 H new ATOM 0 HG LEU A 99 9.707 -0.290 -0.421 1.00 61.51 H new ATOM 0 HD11 LEU A 99 12.049 -1.034 -0.303 1.00 35.41 H new ATOM 0 HD12 LEU A 99 11.737 -0.063 -1.762 1.00 35.41 H new ATOM 0 HD13 LEU A 99 12.587 0.661 -0.376 1.00 35.41 H new ATOM 0 HD21 LEU A 99 10.894 -0.553 1.790 1.00 23.41 H new ATOM 0 HD22 LEU A 99 11.363 1.162 1.721 1.00 23.41 H new ATOM 0 HD23 LEU A 99 9.648 0.714 1.875 1.00 23.41 H new ATOM 1429 N MET A 100 7.995 0.764 -2.538 1.00 13.42 N ATOM 1430 CA MET A 100 7.133 -0.284 -3.073 1.00 53.44 C ATOM 1431 C MET A 100 7.311 -0.422 -4.591 1.00 72.11 C ATOM 1432 O MET A 100 7.655 -1.503 -5.065 1.00 12.01 O ATOM 1433 CB MET A 100 5.675 0.006 -2.696 1.00 21.15 C ATOM 1434 CG MET A 100 5.288 -0.193 -1.224 1.00 41.31 C ATOM 1435 SD MET A 100 6.057 -1.522 -0.262 1.00 24.34 S ATOM 1436 CE MET A 100 4.695 -2.715 -0.151 1.00 13.03 C ATOM 0 H MET A 100 7.500 1.419 -1.933 1.00 13.42 H new ATOM 0 HA MET A 100 7.418 -1.240 -2.633 1.00 53.44 H new ATOM 0 HB2 MET A 100 5.452 1.037 -2.969 1.00 21.15 H new ATOM 0 HB3 MET A 100 5.034 -0.631 -3.305 1.00 21.15 H new ATOM 0 HG2 MET A 100 5.491 0.744 -0.705 1.00 41.31 H new ATOM 0 HG3 MET A 100 4.210 -0.349 -1.190 1.00 41.31 H new ATOM 0 HE1 MET A 100 5.097 -3.708 0.050 1.00 13.03 H new ATOM 0 HE2 MET A 100 4.023 -2.426 0.657 1.00 13.03 H new ATOM 0 HE3 MET A 100 4.146 -2.729 -1.093 1.00 13.03 H new ATOM 1444 N LYS A 101 7.189 0.687 -5.330 1.00 61.51 N ATOM 1445 CA LYS A 101 7.499 0.795 -6.754 1.00 51.22 C ATOM 1446 C LYS A 101 8.812 0.107 -7.109 1.00 21.22 C ATOM 1447 O LYS A 101 8.830 -0.710 -8.022 1.00 53.34 O ATOM 1448 CB LYS A 101 7.496 2.302 -7.087 1.00 74.32 C ATOM 1449 CG LYS A 101 7.684 2.786 -8.533 1.00 23.20 C ATOM 1450 CD LYS A 101 8.928 2.286 -9.273 1.00 73.43 C ATOM 1451 CE LYS A 101 9.474 3.297 -10.282 1.00 35.34 C ATOM 1452 NZ LYS A 101 9.864 4.576 -9.658 1.00 54.21 N ATOM 0 H LYS A 101 6.858 1.567 -4.933 1.00 61.51 H new ATOM 0 HA LYS A 101 6.755 0.276 -7.358 1.00 51.22 H new ATOM 0 HB2 LYS A 101 6.547 2.707 -6.734 1.00 74.32 H new ATOM 0 HB3 LYS A 101 8.282 2.764 -6.489 1.00 74.32 H new ATOM 0 HG2 LYS A 101 6.806 2.490 -9.107 1.00 23.20 H new ATOM 0 HG3 LYS A 101 7.708 3.876 -8.526 1.00 23.20 H new ATOM 0 HD2 LYS A 101 9.706 2.051 -8.546 1.00 73.43 H new ATOM 0 HD3 LYS A 101 8.686 1.358 -9.792 1.00 73.43 H new ATOM 0 HE2 LYS A 101 10.338 2.867 -10.789 1.00 35.34 H new ATOM 0 HE3 LYS A 101 8.719 3.486 -11.045 1.00 35.34 H new ATOM 0 HZ1 LYS A 101 10.867 4.766 -9.854 1.00 54.21 H new ATOM 0 HZ2 LYS A 101 9.283 5.345 -10.049 1.00 54.21 H new ATOM 0 HZ3 LYS A 101 9.717 4.520 -8.630 1.00 54.21 H new ATOM 1462 N LYS A 102 9.909 0.419 -6.421 1.00 42.13 N ATOM 1463 CA LYS A 102 11.228 -0.152 -6.719 1.00 75.34 C ATOM 1464 C LYS A 102 11.246 -1.677 -6.681 1.00 55.11 C ATOM 1465 O LYS A 102 12.083 -2.283 -7.338 1.00 22.54 O ATOM 1466 CB LYS A 102 12.294 0.399 -5.770 1.00 41.34 C ATOM 1467 CG LYS A 102 13.592 0.658 -6.548 1.00 0.22 C ATOM 1468 CD LYS A 102 14.491 1.707 -5.888 1.00 42.23 C ATOM 1469 CE LYS A 102 15.811 1.808 -6.658 1.00 51.02 C ATOM 1470 NZ LYS A 102 15.670 2.372 -8.016 1.00 75.11 N ATOM 0 H LYS A 102 9.912 1.075 -5.640 1.00 42.13 H new ATOM 0 HA LYS A 102 11.457 0.150 -7.741 1.00 75.34 H new ATOM 0 HB2 LYS A 102 11.943 1.323 -5.310 1.00 41.34 H new ATOM 0 HB3 LYS A 102 12.477 -0.310 -4.962 1.00 41.34 H new ATOM 0 HG2 LYS A 102 14.144 -0.277 -6.642 1.00 0.22 H new ATOM 0 HG3 LYS A 102 13.344 0.985 -7.558 1.00 0.22 H new ATOM 0 HD2 LYS A 102 13.990 2.675 -5.876 1.00 42.23 H new ATOM 0 HD3 LYS A 102 14.683 1.435 -4.850 1.00 42.23 H new ATOM 0 HE2 LYS A 102 16.506 2.426 -6.089 1.00 51.02 H new ATOM 0 HE3 LYS A 102 16.254 0.815 -6.732 1.00 51.02 H new ATOM 0 HZ1 LYS A 102 16.611 2.488 -8.443 1.00 75.11 H new ATOM 0 HZ2 LYS A 102 15.101 1.728 -8.602 1.00 75.11 H new ATOM 0 HZ3 LYS A 102 15.198 3.297 -7.960 1.00 75.11 H new ATOM 1480 N ILE A 103 10.351 -2.293 -5.919 1.00 75.50 N ATOM 1481 CA ILE A 103 10.248 -3.733 -5.803 1.00 71.11 C ATOM 1482 C ILE A 103 9.672 -4.269 -7.123 1.00 21.42 C ATOM 1483 O ILE A 103 10.250 -5.182 -7.707 1.00 53.33 O ATOM 1484 CB ILE A 103 9.414 -4.103 -4.553 1.00 3.05 C ATOM 1485 CG1 ILE A 103 9.828 -3.257 -3.326 1.00 4.35 C ATOM 1486 CG2 ILE A 103 9.544 -5.599 -4.248 1.00 22.54 C ATOM 1487 CD1 ILE A 103 9.070 -3.557 -2.041 1.00 23.33 C ATOM 0 H ILE A 103 9.665 -1.791 -5.355 1.00 75.50 H new ATOM 0 HA ILE A 103 11.220 -4.202 -5.651 1.00 71.11 H new ATOM 0 HB ILE A 103 8.369 -3.880 -4.769 1.00 3.05 H new ATOM 0 HG12 ILE A 103 10.892 -3.408 -3.144 1.00 4.35 H new ATOM 0 HG13 ILE A 103 9.693 -2.203 -3.570 1.00 4.35 H new ATOM 0 HG21 ILE A 103 8.952 -5.843 -3.366 1.00 22.54 H new ATOM 0 HG22 ILE A 103 9.183 -6.177 -5.099 1.00 22.54 H new ATOM 0 HG23 ILE A 103 10.590 -5.843 -4.062 1.00 22.54 H new ATOM 0 HD11 ILE A 103 9.436 -2.911 -1.243 1.00 23.33 H new ATOM 0 HD12 ILE A 103 8.006 -3.376 -2.195 1.00 23.33 H new ATOM 0 HD13 ILE A 103 9.224 -4.600 -1.763 1.00 23.33 H new ATOM 1498 N ALA A 104 8.584 -3.685 -7.641 1.00 15.35 N ATOM 1499 CA ALA A 104 8.042 -4.025 -8.960 1.00 71.10 C ATOM 1500 C ALA A 104 9.088 -3.818 -10.061 1.00 62.11 C ATOM 1501 O ALA A 104 9.146 -4.560 -11.042 1.00 54.24 O ATOM 1502 CB ALA A 104 6.816 -3.155 -9.258 1.00 62.44 C ATOM 0 H ALA A 104 8.054 -2.962 -7.155 1.00 15.35 H new ATOM 0 HA ALA A 104 7.758 -5.077 -8.945 1.00 71.10 H new ATOM 0 HB1 ALA A 104 6.417 -3.412 -10.239 1.00 62.44 H new ATOM 0 HB2 ALA A 104 6.053 -3.329 -8.499 1.00 62.44 H new ATOM 0 HB3 ALA A 104 7.104 -2.104 -9.247 1.00 62.44 H new ATOM 1508 N ASP A 105 9.954 -2.829 -9.859 1.00 2.32 N ATOM 1509 CA ASP A 105 10.993 -2.368 -10.783 1.00 62.51 C ATOM 1510 C ASP A 105 12.094 -3.420 -10.961 1.00 20.30 C ATOM 1511 O ASP A 105 12.909 -3.312 -11.879 1.00 54.02 O ATOM 1512 CB ASP A 105 11.598 -1.059 -10.240 1.00 15.14 C ATOM 1513 CG ASP A 105 11.968 0.013 -11.273 1.00 62.24 C ATOM 1514 OD1 ASP A 105 12.248 -0.285 -12.455 1.00 54.43 O ATOM 1515 OD2 ASP A 105 12.001 1.212 -10.896 1.00 62.13 O ATOM 0 H ASP A 105 9.951 -2.292 -8.992 1.00 2.32 H new ATOM 0 HA ASP A 105 10.541 -2.197 -11.760 1.00 62.51 H new ATOM 0 HB2 ASP A 105 10.888 -0.623 -9.537 1.00 15.14 H new ATOM 0 HB3 ASP A 105 12.495 -1.309 -9.673 1.00 15.14 H new ATOM 1519 N LEU A 106 12.122 -4.439 -10.095 1.00 34.11 N ATOM 1520 CA LEU A 106 13.128 -5.494 -10.003 1.00 54.05 C ATOM 1521 C LEU A 106 12.495 -6.892 -10.046 1.00 64.30 C ATOM 1522 O LEU A 106 13.185 -7.887 -9.792 1.00 23.15 O ATOM 1523 CB LEU A 106 13.925 -5.286 -8.700 1.00 35.33 C ATOM 1524 CG LEU A 106 14.731 -3.984 -8.572 1.00 0.32 C ATOM 1525 CD1 LEU A 106 15.182 -3.777 -7.121 1.00 32.11 C ATOM 1526 CD2 LEU A 106 15.982 -4.024 -9.446 1.00 75.54 C ATOM 0 H LEU A 106 11.391 -4.553 -9.393 1.00 34.11 H new ATOM 0 HA LEU A 106 13.794 -5.433 -10.864 1.00 54.05 H new ATOM 0 HB2 LEU A 106 13.226 -5.335 -7.865 1.00 35.33 H new ATOM 0 HB3 LEU A 106 14.614 -6.123 -8.588 1.00 35.33 H new ATOM 0 HG LEU A 106 14.081 -3.169 -8.892 1.00 0.32 H new ATOM 0 HD11 LEU A 106 15.752 -2.851 -7.046 1.00 32.11 H new ATOM 0 HD12 LEU A 106 14.307 -3.719 -6.473 1.00 32.11 H new ATOM 0 HD13 LEU A 106 15.808 -4.614 -6.812 1.00 32.11 H new ATOM 0 HD21 LEU A 106 16.533 -3.090 -9.336 1.00 75.54 H new ATOM 0 HD22 LEU A 106 16.614 -4.857 -9.138 1.00 75.54 H new ATOM 0 HD23 LEU A 106 15.693 -4.154 -10.489 1.00 75.54 H new ATOM 1537 N TRP A 107 11.187 -6.973 -10.313 1.00 42.20 N ATOM 1538 CA TRP A 107 10.435 -8.205 -10.127 1.00 61.50 C ATOM 1539 C TRP A 107 10.952 -9.338 -11.002 1.00 34.11 C ATOM 1540 O TRP A 107 11.352 -9.080 -12.160 1.00 15.03 O ATOM 1541 CB TRP A 107 8.928 -7.979 -10.315 1.00 1.04 C ATOM 1542 CG TRP A 107 8.068 -8.998 -9.636 1.00 24.45 C ATOM 1543 CD1 TRP A 107 7.400 -10.027 -10.210 1.00 4.21 C ATOM 1544 CD2 TRP A 107 7.740 -9.050 -8.221 1.00 71.43 C ATOM 1545 NE1 TRP A 107 6.739 -10.753 -9.237 1.00 14.41 N ATOM 1546 CE2 TRP A 107 6.893 -10.174 -7.995 1.00 21.13 C ATOM 1547 CE3 TRP A 107 8.065 -8.239 -7.115 1.00 73.32 C ATOM 1548 CZ2 TRP A 107 6.400 -10.489 -6.725 1.00 14.04 C ATOM 1549 CZ3 TRP A 107 7.602 -8.574 -5.828 1.00 72.43 C ATOM 1550 CH2 TRP A 107 6.754 -9.680 -5.634 1.00 42.00 C ATOM 0 H TRP A 107 10.631 -6.192 -10.660 1.00 42.20 H new ATOM 0 HA TRP A 107 10.592 -8.517 -9.094 1.00 61.50 H new ATOM 0 HB2 TRP A 107 8.670 -6.990 -9.936 1.00 1.04 H new ATOM 0 HB3 TRP A 107 8.701 -7.980 -11.381 1.00 1.04 H new ATOM 0 HD1 TRP A 107 7.386 -10.247 -11.267 1.00 4.21 H new ATOM 0 HE1 TRP A 107 6.207 -11.605 -9.414 1.00 14.41 H new ATOM 0 HE3 TRP A 107 8.672 -7.357 -7.255 1.00 73.32 H new ATOM 0 HZ2 TRP A 107 5.755 -11.344 -6.585 1.00 14.04 H new ATOM 0 HZ3 TRP A 107 7.901 -7.975 -4.980 1.00 72.43 H new ATOM 0 HH2 TRP A 107 6.376 -9.906 -4.648 1.00 42.00 H new