USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 770 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 33 CYS SG : rot -93:sc= 0.0662 USER MOD Set 1.2: A 59 CYS SG : rot -10:sc= -2.2 USER MOD Set 1.3: A 101 HIS : no HD1:sc= -0.257 K(o=-7.3,f=-8.8) USER MOD Set 1.4: A 102 CYS SG : rot 91:sc= -4.95 USER MOD Set 2.1: A 56 THR OG1 : rot 138:sc= -0.671 USER MOD Set 2.2: A 66 SER OG : rot -92:sc= 0.333 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0.00265 USER MOD Set 3.2: A 40 GLN : amide:sc= -0.111 X(o=-0.11,f=0.13) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.276 F(o=-1.9,f=-0.28) USER MOD Single : A 37 MET CE :methyl -107:sc= -3.97! (180deg=-10.5!) USER MOD Single : A 38 LYS NZ :NH3+ -101:sc= -0.298 (180deg=-2.49!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.0487 (180deg=-0.417) USER MOD Single : A 61 SER OG : rot -109:sc= 0.0131 USER MOD Single : A 65 SER OG : rot 180:sc= -0.367 USER MOD Single : A 67 SER OG : rot -73:sc= 1.17 USER MOD Single : A 70 THR OG1 : rot 112:sc= 1.09 USER MOD Single : A 74 LYS NZ :NH3+ 143:sc= -1.57 (180deg=-3.73!) USER MOD Single : A 76 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.22) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.933 USER MOD Single : A 83 THR OG1 : rot -93:sc= 1.2 USER MOD Single : A 85 LYS NZ :NH3+ -162:sc=-0.00543 (180deg=-0.173) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.7 F(o=-1.8!,f=-0.7) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0113 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 5:sc= 1.26 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -83:sc= 0.993 USER MOD Single : A 104 MET CE :methyl -154:sc= -0.122 (180deg=-0.568) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.050 -13.113 -2.753 1.00 0.00 N ATOM 282 CA ASN A 22 -9.602 -12.225 -1.736 1.00 0.00 C ATOM 283 C ASN A 22 -8.581 -11.170 -1.322 1.00 0.00 C ATOM 284 O ASN A 22 -8.941 -10.108 -0.815 1.00 0.00 O ATOM 285 CB ASN A 22 -10.046 -13.030 -0.513 1.00 0.00 C ATOM 286 CG ASN A 22 -8.918 -13.853 0.078 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.128 -13.235 0.949 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -8.758 -15.030 -0.245 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.468 -11.718 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.432 -12.349 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.866 -13.691 -0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.389 -15.464 -0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.994 -15.571 0.161 1.00 0.00 H new ATOM 295 N VAL A 23 -7.305 -11.471 -1.542 1.00 0.00 N ATOM 296 CA VAL A 23 -6.231 -10.549 -1.193 1.00 0.00 C ATOM 297 C VAL A 23 -5.490 -10.073 -2.438 1.00 0.00 C ATOM 298 O VAL A 23 -4.832 -10.858 -3.119 1.00 0.00 O ATOM 299 CB VAL A 23 -5.224 -11.200 -0.227 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.826 -12.583 -0.721 1.00 0.00 C ATOM 301 CG2 VAL A 23 -4.000 -10.313 -0.056 1.00 0.00 C ATOM 0 H VAL A 23 -6.990 -12.346 -1.960 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.695 -9.694 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.702 -11.312 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.114 -13.027 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.712 -13.215 -0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.367 -12.499 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.299 -10.789 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.519 -10.167 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.304 -9.347 0.348 1.00 0.00 H new ATOM 311 N GLY A 24 -5.601 -8.781 -2.728 1.00 0.00 N ATOM 312 CA GLY A 24 -4.935 -8.222 -3.890 1.00 0.00 C ATOM 313 C GLY A 24 -3.469 -7.934 -3.636 1.00 0.00 C ATOM 314 O GLY A 24 -3.031 -7.865 -2.487 1.00 0.00 O ATOM 0 H GLY A 24 -6.140 -8.111 -2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.026 -8.916 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.437 -7.301 -4.184 1.00 0.00 H new ATOM 318 N THR A 25 -2.705 -7.766 -4.712 1.00 0.00 N ATOM 319 CA THR A 25 -1.279 -7.487 -4.600 1.00 0.00 C ATOM 320 C THR A 25 -0.884 -6.290 -5.458 1.00 0.00 C ATOM 321 O THR A 25 -1.006 -6.324 -6.682 1.00 0.00 O ATOM 322 CB THR A 25 -0.434 -8.705 -5.019 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.842 -9.861 -4.279 1.00 0.00 O ATOM 324 CG2 THR A 25 1.046 -8.443 -4.785 1.00 0.00 C ATOM 0 H THR A 25 -3.051 -7.818 -5.670 1.00 0.00 H new ATOM 0 HA THR A 25 -1.083 -7.260 -3.552 1.00 0.00 H new ATOM 0 HB THR A 25 -0.591 -8.881 -6.083 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.302 -10.632 -4.552 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.623 -9.317 -5.088 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.360 -7.580 -5.372 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.218 -8.244 -3.727 1.00 0.00 H new ATOM 332 N GLY A 26 -0.410 -5.232 -4.807 1.00 0.00 N ATOM 333 CA GLY A 26 -0.004 -4.039 -5.527 1.00 0.00 C ATOM 334 C GLY A 26 1.486 -3.779 -5.424 1.00 0.00 C ATOM 335 O GLY A 26 1.987 -3.404 -4.363 1.00 0.00 O ATOM 0 H GLY A 26 -0.300 -5.180 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.280 -4.140 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.548 -3.179 -5.135 1.00 0.00 H new ATOM 339 N LEU A 27 2.197 -3.979 -6.528 1.00 0.00 N ATOM 340 CA LEU A 27 3.640 -3.766 -6.558 1.00 0.00 C ATOM 341 C LEU A 27 3.992 -2.546 -7.405 1.00 0.00 C ATOM 342 O LEU A 27 3.771 -2.533 -8.616 1.00 0.00 O ATOM 343 CB LEU A 27 4.348 -5.005 -7.109 1.00 0.00 C ATOM 344 CG LEU A 27 5.874 -4.932 -7.176 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.437 -4.341 -5.893 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.463 -6.311 -7.435 1.00 0.00 C ATOM 0 H LEU A 27 1.798 -4.288 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 27 3.977 -3.587 -5.537 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.072 -5.861 -6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.969 -5.199 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 27 6.152 -4.280 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.524 -4.297 -5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.041 -3.335 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.150 -4.966 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.550 -6.240 -7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.176 -6.986 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.085 -6.696 -8.382 1.00 0.00 H new ATOM 358 N VAL A 28 4.544 -1.524 -6.759 1.00 0.00 N ATOM 359 CA VAL A 28 4.930 -0.301 -7.453 1.00 0.00 C ATOM 360 C VAL A 28 6.328 0.147 -7.039 1.00 0.00 C ATOM 361 O VAL A 28 6.587 0.402 -5.864 1.00 0.00 O ATOM 362 CB VAL A 28 3.934 0.841 -7.175 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.644 0.625 -7.952 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.655 0.954 -5.684 1.00 0.00 C ATOM 0 H VAL A 28 4.734 -1.519 -5.757 1.00 0.00 H new ATOM 0 HA VAL A 28 4.924 -0.527 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 28 4.380 1.778 -7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.952 1.441 -7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.862 0.598 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.192 -0.320 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.950 1.766 -5.506 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.230 0.018 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.585 1.159 -5.154 1.00 0.00 H new ATOM 374 N GLY A 29 7.226 0.242 -8.015 1.00 0.00 N ATOM 375 CA GLY A 29 8.587 0.660 -7.733 1.00 0.00 C ATOM 376 C GLY A 29 8.994 1.883 -8.529 1.00 0.00 C ATOM 377 O GLY A 29 8.270 2.320 -9.424 1.00 0.00 O ATOM 0 H GLY A 29 7.035 0.037 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.685 0.874 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.270 -0.160 -7.958 1.00 0.00 H new ATOM 381 N ALA A 30 10.157 2.439 -8.204 1.00 0.00 N ATOM 382 CA ALA A 30 10.660 3.620 -8.895 1.00 0.00 C ATOM 383 C ALA A 30 11.723 3.243 -9.922 1.00 0.00 C ATOM 384 O ALA A 30 12.631 2.458 -9.651 1.00 0.00 O ATOM 385 CB ALA A 30 11.220 4.619 -7.895 1.00 0.00 C ATOM 0 H ALA A 30 10.769 2.090 -7.466 1.00 0.00 H new ATOM 0 HA ALA A 30 9.827 4.083 -9.425 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.592 5.495 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.434 4.920 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.036 4.158 -7.339 1.00 0.00 H new ATOM 391 N PRO A 31 11.608 3.814 -11.130 1.00 0.00 N ATOM 392 CA PRO A 31 12.551 3.553 -12.222 1.00 0.00 C ATOM 393 C PRO A 31 13.926 4.157 -11.957 1.00 0.00 C ATOM 394 O PRO A 31 14.947 3.484 -12.096 1.00 0.00 O ATOM 395 CB PRO A 31 11.893 4.228 -13.428 1.00 0.00 C ATOM 396 CG PRO A 31 11.034 5.295 -12.843 1.00 0.00 C ATOM 397 CD PRO A 31 10.551 4.760 -11.523 1.00 0.00 C ATOM 0 HA PRO A 31 12.731 2.487 -12.359 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.639 4.646 -14.103 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.303 3.517 -14.006 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.597 6.219 -12.707 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.196 5.526 -13.501 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.430 5.555 -10.787 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.585 4.265 -11.620 1.00 0.00 H new ATOM 405 N ALA A 32 13.945 5.430 -11.575 1.00 0.00 N ATOM 406 CA ALA A 32 15.194 6.123 -11.289 1.00 0.00 C ATOM 407 C ALA A 32 15.790 5.658 -9.965 1.00 0.00 C ATOM 408 O ALA A 32 16.839 5.013 -9.937 1.00 0.00 O ATOM 409 CB ALA A 32 14.970 7.628 -11.269 1.00 0.00 C ATOM 0 H ALA A 32 13.109 6.002 -11.457 1.00 0.00 H new ATOM 0 HA ALA A 32 15.903 5.882 -12.081 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.912 8.133 -11.054 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.597 7.953 -12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.241 7.877 -10.498 1.00 0.00 H new ATOM 415 N CYS A 33 15.115 5.988 -8.869 1.00 0.00 N ATOM 416 CA CYS A 33 15.578 5.605 -7.541 1.00 0.00 C ATOM 417 C CYS A 33 15.782 4.095 -7.451 1.00 0.00 C ATOM 418 O CYS A 33 16.666 3.619 -6.739 1.00 0.00 O ATOM 419 CB CYS A 33 14.576 6.060 -6.478 1.00 0.00 C ATOM 420 SG CYS A 33 15.271 6.161 -4.797 1.00 0.00 S ATOM 0 H CYS A 33 14.245 6.520 -8.875 1.00 0.00 H new ATOM 0 HA CYS A 33 16.535 6.095 -7.361 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.185 7.038 -6.757 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.732 5.370 -6.470 1.00 0.00 H new ATOM 0 HG CYS A 33 15.053 5.043 -4.170 1.00 0.00 H new ATOM 425 N GLY A 34 14.957 3.348 -8.177 1.00 0.00 N ATOM 426 CA GLY A 34 15.063 1.900 -8.166 1.00 0.00 C ATOM 427 C GLY A 34 14.547 1.292 -6.877 1.00 0.00 C ATOM 428 O GLY A 34 15.288 0.618 -6.161 1.00 0.00 O ATOM 0 H GLY A 34 14.217 3.719 -8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.503 1.491 -9.007 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.105 1.614 -8.308 1.00 0.00 H new ATOM 432 N ASP A 35 13.275 1.530 -6.579 1.00 0.00 N ATOM 433 CA ASP A 35 12.660 1.001 -5.367 1.00 0.00 C ATOM 434 C ASP A 35 11.613 -0.055 -5.705 1.00 0.00 C ATOM 435 O ASP A 35 11.137 -0.132 -6.838 1.00 0.00 O ATOM 436 CB ASP A 35 12.021 2.131 -4.559 1.00 0.00 C ATOM 437 CG ASP A 35 12.863 3.392 -4.561 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.081 3.293 -4.820 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.304 4.479 -4.303 1.00 0.00 O ATOM 0 H ASP A 35 12.649 2.087 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 35 13.441 0.533 -4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.036 2.355 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.871 1.799 -3.532 1.00 0.00 H new ATOM 444 N VAL A 36 11.258 -0.868 -4.715 1.00 0.00 N ATOM 445 CA VAL A 36 10.267 -1.919 -4.907 1.00 0.00 C ATOM 446 C VAL A 36 9.269 -1.951 -3.755 1.00 0.00 C ATOM 447 O VAL A 36 9.538 -2.530 -2.703 1.00 0.00 O ATOM 448 CB VAL A 36 10.933 -3.302 -5.033 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.880 -4.394 -5.148 1.00 0.00 C ATOM 450 CG2 VAL A 36 11.876 -3.332 -6.226 1.00 0.00 C ATOM 0 H VAL A 36 11.643 -0.818 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 36 9.740 -1.692 -5.834 1.00 0.00 H new ATOM 0 HB VAL A 36 11.517 -3.488 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.370 -5.364 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.249 -4.386 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.266 -4.216 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.338 -4.317 -6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.316 -3.124 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.651 -2.577 -6.096 1.00 0.00 H new ATOM 460 N MET A 37 8.115 -1.324 -3.961 1.00 0.00 N ATOM 461 CA MET A 37 7.076 -1.283 -2.940 1.00 0.00 C ATOM 462 C MET A 37 6.020 -2.354 -3.194 1.00 0.00 C ATOM 463 O MET A 37 5.231 -2.252 -4.133 1.00 0.00 O ATOM 464 CB MET A 37 6.419 0.099 -2.906 1.00 0.00 C ATOM 465 CG MET A 37 5.824 0.456 -1.554 1.00 0.00 C ATOM 466 SD MET A 37 4.149 -0.176 -1.343 1.00 0.00 S ATOM 467 CE MET A 37 3.376 1.192 -0.483 1.00 0.00 C ATOM 0 H MET A 37 7.877 -0.838 -4.825 1.00 0.00 H new ATOM 0 HA MET A 37 7.543 -1.480 -1.975 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.160 0.851 -3.178 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.634 0.138 -3.661 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.461 0.057 -0.764 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.816 1.540 -1.440 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.218 0.923 0.561 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.022 2.068 -0.538 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.417 1.419 -0.948 1.00 0.00 H new ATOM 477 N LYS A 38 6.011 -3.381 -2.351 1.00 0.00 N ATOM 478 CA LYS A 38 5.052 -4.472 -2.483 1.00 0.00 C ATOM 479 C LYS A 38 3.978 -4.385 -1.403 1.00 0.00 C ATOM 480 O LYS A 38 4.264 -4.539 -0.215 1.00 0.00 O ATOM 481 CB LYS A 38 5.769 -5.821 -2.398 1.00 0.00 C ATOM 482 CG LYS A 38 4.826 -7.012 -2.397 1.00 0.00 C ATOM 483 CD LYS A 38 4.603 -7.547 -3.802 1.00 0.00 C ATOM 484 CE LYS A 38 4.394 -9.054 -3.798 1.00 0.00 C ATOM 485 NZ LYS A 38 3.397 -9.472 -2.773 1.00 0.00 N ATOM 0 H LYS A 38 6.658 -3.481 -1.568 1.00 0.00 H new ATOM 0 HA LYS A 38 4.571 -4.385 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.455 -5.912 -3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.373 -5.846 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.236 -7.801 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.870 -6.720 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.734 -7.059 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.461 -7.299 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.059 -9.377 -4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.344 -9.552 -3.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.893 -9.844 -1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.819 -8.653 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.782 -10.212 -3.168 1.00 0.00 H new ATOM 499 N LEU A 39 2.742 -4.140 -1.824 1.00 0.00 N ATOM 500 CA LEU A 39 1.624 -4.035 -0.893 1.00 0.00 C ATOM 501 C LEU A 39 0.660 -5.204 -1.065 1.00 0.00 C ATOM 502 O LEU A 39 0.492 -5.724 -2.168 1.00 0.00 O ATOM 503 CB LEU A 39 0.883 -2.713 -1.102 1.00 0.00 C ATOM 504 CG LEU A 39 0.210 -2.118 0.136 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.221 -1.354 0.977 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.944 -1.212 -0.269 1.00 0.00 C ATOM 0 H LEU A 39 2.489 -4.010 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 39 2.024 -4.064 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.590 -1.981 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.122 -2.863 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.189 -2.934 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.725 -0.938 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.014 -2.030 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.650 -0.546 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.412 -0.797 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.568 -0.401 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.680 -1.789 -0.829 1.00 0.00 H new ATOM 518 N GLN A 40 0.028 -5.610 0.031 1.00 0.00 N ATOM 519 CA GLN A 40 -0.920 -6.717 0.000 1.00 0.00 C ATOM 520 C GLN A 40 -2.015 -6.526 1.045 1.00 0.00 C ATOM 521 O GLN A 40 -1.733 -6.410 2.238 1.00 0.00 O ATOM 522 CB GLN A 40 -0.197 -8.044 0.239 1.00 0.00 C ATOM 523 CG GLN A 40 0.598 -8.528 -0.962 1.00 0.00 C ATOM 524 CD GLN A 40 0.924 -10.007 -0.888 1.00 0.00 C ATOM 525 OE1 GLN A 40 1.923 -10.405 -0.287 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.082 -10.831 -1.501 1.00 0.00 N ATOM 0 H GLN A 40 0.155 -5.189 0.951 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.383 -6.737 -0.986 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.476 -7.934 1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.930 -8.804 0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.031 -8.330 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.525 -7.959 -1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.733 -10.458 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.251 -11.837 -1.486 1.00 0.00 H new ATOM 535 N ILE A 41 -3.262 -6.494 0.589 1.00 0.00 N ATOM 536 CA ILE A 41 -4.398 -6.317 1.485 1.00 0.00 C ATOM 537 C ILE A 41 -5.418 -7.437 1.307 1.00 0.00 C ATOM 538 O ILE A 41 -5.866 -7.710 0.194 1.00 0.00 O ATOM 539 CB ILE A 41 -5.094 -4.963 1.252 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.701 -4.911 -0.152 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.109 -3.820 1.451 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.123 -5.422 -0.214 1.00 0.00 C ATOM 0 H ILE A 41 -3.512 -6.588 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.005 -6.344 2.501 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.898 -4.855 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.677 -3.882 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.082 -5.500 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.616 -2.870 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.719 -3.848 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.286 -3.922 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.489 -5.356 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.151 -6.461 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.755 -4.818 0.437 1.00 0.00 H new ATOM 554 N GLN A 42 -5.781 -8.080 2.412 1.00 0.00 N ATOM 555 CA GLN A 42 -6.749 -9.170 2.377 1.00 0.00 C ATOM 556 C GLN A 42 -8.166 -8.646 2.586 1.00 0.00 C ATOM 557 O GLN A 42 -8.508 -8.162 3.665 1.00 0.00 O ATOM 558 CB GLN A 42 -6.415 -10.211 3.447 1.00 0.00 C ATOM 559 CG GLN A 42 -7.088 -11.555 3.219 1.00 0.00 C ATOM 560 CD GLN A 42 -7.080 -12.429 4.458 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.894 -12.248 5.364 1.00 0.00 O ATOM 562 NE2 GLN A 42 -6.159 -13.384 4.504 1.00 0.00 N ATOM 0 H GLN A 42 -5.420 -7.865 3.342 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.695 -9.639 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.335 -10.355 3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.713 -9.826 4.422 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.118 -11.392 2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.582 -12.077 2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.504 -13.499 3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.106 -14.003 5.313 1.00 0.00 H new ATOM 571 N VAL A 43 -8.987 -8.745 1.546 1.00 0.00 N ATOM 572 CA VAL A 43 -10.368 -8.282 1.615 1.00 0.00 C ATOM 573 C VAL A 43 -11.307 -9.412 2.021 1.00 0.00 C ATOM 574 O VAL A 43 -11.204 -10.531 1.517 1.00 0.00 O ATOM 575 CB VAL A 43 -10.834 -7.703 0.266 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.270 -7.212 0.363 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.907 -6.582 -0.180 1.00 0.00 C ATOM 0 H VAL A 43 -8.720 -9.142 0.645 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.401 -7.497 2.370 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.796 -8.495 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.582 -6.806 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.921 -8.043 0.635 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.338 -6.434 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.251 -6.184 -1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.911 -5.788 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.895 -6.970 -0.292 1.00 0.00 H new ATOM 587 N ASP A 44 -12.223 -9.113 2.935 1.00 0.00 N ATOM 588 CA ASP A 44 -13.183 -10.103 3.409 1.00 0.00 C ATOM 589 C ASP A 44 -14.462 -10.062 2.578 1.00 0.00 C ATOM 590 O ASP A 44 -14.547 -9.333 1.590 1.00 0.00 O ATOM 591 CB ASP A 44 -13.511 -9.862 4.884 1.00 0.00 C ATOM 592 CG ASP A 44 -13.906 -11.135 5.605 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.633 -12.230 5.069 1.00 0.00 O ATOM 594 OD2 ASP A 44 -14.487 -11.038 6.705 1.00 0.00 O ATOM 0 H ASP A 44 -12.321 -8.192 3.363 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.732 -11.090 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.645 -9.422 5.378 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.323 -9.139 4.959 1.00 0.00 H new ATOM 599 N GLU A 45 -15.451 -10.851 2.984 1.00 0.00 N ATOM 600 CA GLU A 45 -16.724 -10.906 2.274 1.00 0.00 C ATOM 601 C GLU A 45 -17.407 -9.541 2.276 1.00 0.00 C ATOM 602 O GLU A 45 -18.044 -9.152 1.298 1.00 0.00 O ATOM 603 CB GLU A 45 -17.644 -11.950 2.911 1.00 0.00 C ATOM 604 CG GLU A 45 -18.037 -11.623 4.342 1.00 0.00 C ATOM 605 CD GLU A 45 -18.682 -12.796 5.053 1.00 0.00 C ATOM 606 OE1 GLU A 45 -18.388 -13.951 4.678 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.481 -12.561 5.983 1.00 0.00 O ATOM 0 H GLU A 45 -15.396 -11.461 3.800 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.523 -11.191 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.547 -12.043 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.147 -12.920 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.152 -11.310 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.727 -10.779 4.341 1.00 0.00 H new ATOM 614 N LYS A 46 -17.270 -8.819 3.383 1.00 0.00 N ATOM 615 CA LYS A 46 -17.872 -7.497 3.514 1.00 0.00 C ATOM 616 C LYS A 46 -17.174 -6.489 2.608 1.00 0.00 C ATOM 617 O LYS A 46 -17.757 -5.475 2.226 1.00 0.00 O ATOM 618 CB LYS A 46 -17.803 -7.025 4.968 1.00 0.00 C ATOM 619 CG LYS A 46 -18.551 -7.926 5.936 1.00 0.00 C ATOM 620 CD LYS A 46 -19.092 -7.143 7.121 1.00 0.00 C ATOM 621 CE LYS A 46 -20.181 -7.915 7.849 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.810 -7.104 8.928 1.00 0.00 N ATOM 0 H LYS A 46 -16.747 -9.127 4.203 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.916 -7.569 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.758 -6.966 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.212 -6.017 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.374 -8.416 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.885 -8.712 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.279 -6.919 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.490 -6.188 6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.945 -8.225 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.757 -8.823 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.547 -7.666 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -20.086 -6.829 9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.237 -6.250 8.516 1.00 0.00 H new ATOM 636 N GLY A 47 -15.921 -6.775 2.265 1.00 0.00 N ATOM 637 CA GLY A 47 -15.165 -5.884 1.405 1.00 0.00 C ATOM 638 C GLY A 47 -14.309 -4.909 2.189 1.00 0.00 C ATOM 639 O GLY A 47 -13.903 -3.870 1.669 1.00 0.00 O ATOM 0 H GLY A 47 -15.417 -7.608 2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.528 -6.474 0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.853 -5.328 0.768 1.00 0.00 H new ATOM 643 N LYS A 48 -14.034 -5.244 3.445 1.00 0.00 N ATOM 644 CA LYS A 48 -13.221 -4.391 4.304 1.00 0.00 C ATOM 645 C LYS A 48 -11.833 -4.989 4.508 1.00 0.00 C ATOM 646 O LYS A 48 -11.693 -6.191 4.737 1.00 0.00 O ATOM 647 CB LYS A 48 -13.907 -4.193 5.658 1.00 0.00 C ATOM 648 CG LYS A 48 -13.231 -3.155 6.536 1.00 0.00 C ATOM 649 CD LYS A 48 -12.161 -3.780 7.416 1.00 0.00 C ATOM 650 CE LYS A 48 -12.774 -4.566 8.565 1.00 0.00 C ATOM 651 NZ LYS A 48 -13.034 -3.703 9.751 1.00 0.00 N ATOM 0 H LYS A 48 -14.362 -6.101 3.891 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.112 -3.423 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.943 -3.897 5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.929 -5.146 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.783 -2.383 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.977 -2.665 7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.534 -4.440 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.513 -2.999 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.708 -5.022 8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.105 -5.379 8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.452 -4.276 10.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.139 -3.288 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.693 -2.942 9.489 1.00 0.00 H new ATOM 665 N ILE A 49 -10.811 -4.143 4.425 1.00 0.00 N ATOM 666 CA ILE A 49 -9.435 -4.589 4.604 1.00 0.00 C ATOM 667 C ILE A 49 -9.188 -5.049 6.036 1.00 0.00 C ATOM 668 O ILE A 49 -9.223 -4.249 6.971 1.00 0.00 O ATOM 669 CB ILE A 49 -8.432 -3.474 4.254 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.426 -3.219 2.745 1.00 0.00 C ATOM 671 CG2 ILE A 49 -7.039 -3.844 4.739 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.098 -1.789 2.376 1.00 0.00 C ATOM 0 H ILE A 49 -10.910 -3.146 4.235 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.284 -5.428 3.925 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.740 -2.557 4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.700 -3.883 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.404 -3.476 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.341 -3.046 4.484 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.055 -3.981 5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.721 -4.770 4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.112 -1.681 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.838 -1.121 2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.108 -1.534 2.754 1.00 0.00 H new ATOM 684 N VAL A 50 -8.935 -6.344 6.201 1.00 0.00 N ATOM 685 CA VAL A 50 -8.678 -6.910 7.520 1.00 0.00 C ATOM 686 C VAL A 50 -7.182 -7.053 7.775 1.00 0.00 C ATOM 687 O VAL A 50 -6.719 -6.921 8.908 1.00 0.00 O ATOM 688 CB VAL A 50 -9.349 -8.288 7.679 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.863 -8.151 7.649 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.869 -9.242 6.596 1.00 0.00 C ATOM 0 H VAL A 50 -8.903 -7.020 5.438 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.103 -6.220 8.249 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.065 -8.702 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.320 -9.134 7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.186 -7.504 8.465 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.170 -7.716 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.353 -10.210 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.121 -8.837 5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.788 -9.364 6.671 1.00 0.00 H new ATOM 700 N ASP A 51 -6.430 -7.323 6.714 1.00 0.00 N ATOM 701 CA ASP A 51 -4.984 -7.482 6.821 1.00 0.00 C ATOM 702 C ASP A 51 -4.267 -6.680 5.740 1.00 0.00 C ATOM 703 O ASP A 51 -4.659 -6.704 4.574 1.00 0.00 O ATOM 704 CB ASP A 51 -4.603 -8.960 6.715 1.00 0.00 C ATOM 705 CG ASP A 51 -5.258 -9.805 7.790 1.00 0.00 C ATOM 706 OD1 ASP A 51 -5.522 -9.270 8.886 1.00 0.00 O ATOM 707 OD2 ASP A 51 -5.505 -11.003 7.534 1.00 0.00 O ATOM 0 H ASP A 51 -6.798 -7.436 5.769 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.673 -7.103 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.892 -9.337 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.520 -9.059 6.788 1.00 0.00 H new ATOM 712 N ALA A 52 -3.216 -5.970 6.136 1.00 0.00 N ATOM 713 CA ALA A 52 -2.443 -5.162 5.201 1.00 0.00 C ATOM 714 C ALA A 52 -0.954 -5.224 5.522 1.00 0.00 C ATOM 715 O ALA A 52 -0.551 -5.075 6.676 1.00 0.00 O ATOM 716 CB ALA A 52 -2.931 -3.721 5.222 1.00 0.00 C ATOM 0 H ALA A 52 -2.880 -5.938 7.099 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.588 -5.569 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.345 -3.128 4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.982 -3.689 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.815 -3.312 6.226 1.00 0.00 H new ATOM 722 N ARG A 53 -0.141 -5.444 4.494 1.00 0.00 N ATOM 723 CA ARG A 53 1.304 -5.528 4.668 1.00 0.00 C ATOM 724 C ARG A 53 2.016 -4.488 3.807 1.00 0.00 C ATOM 725 O ARG A 53 1.389 -3.798 3.003 1.00 0.00 O ATOM 726 CB ARG A 53 1.803 -6.929 4.310 1.00 0.00 C ATOM 727 CG ARG A 53 1.018 -8.044 4.981 1.00 0.00 C ATOM 728 CD ARG A 53 1.535 -8.324 6.383 1.00 0.00 C ATOM 729 NE ARG A 53 1.022 -9.584 6.914 1.00 0.00 N ATOM 730 CZ ARG A 53 0.972 -9.869 8.211 1.00 0.00 C ATOM 731 NH1 ARG A 53 1.402 -8.987 9.103 1.00 0.00 N ATOM 732 NH2 ARG A 53 0.491 -11.037 8.617 1.00 0.00 N ATOM 0 H ARG A 53 -0.458 -5.567 3.532 1.00 0.00 H new ATOM 0 HA ARG A 53 1.531 -5.326 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.751 -7.059 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.853 -7.015 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.036 -7.770 5.029 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.085 -8.951 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.624 -8.354 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.247 -7.508 7.045 1.00 0.00 H new ATOM 0 HE ARG A 53 0.684 -10.283 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.772 -8.088 8.794 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.363 -9.208 10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.159 -11.717 7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.453 -11.255 9.613 1.00 0.00 H new ATOM 746 N PHE A 54 3.329 -4.381 3.982 1.00 0.00 N ATOM 747 CA PHE A 54 4.126 -3.425 3.223 1.00 0.00 C ATOM 748 C PHE A 54 5.589 -3.856 3.171 1.00 0.00 C ATOM 749 O PHE A 54 6.221 -4.078 4.204 1.00 0.00 O ATOM 750 CB PHE A 54 4.016 -2.030 3.844 1.00 0.00 C ATOM 751 CG PHE A 54 5.091 -1.736 4.850 1.00 0.00 C ATOM 752 CD1 PHE A 54 5.065 -2.324 6.104 1.00 0.00 C ATOM 753 CD2 PHE A 54 6.128 -0.869 4.543 1.00 0.00 C ATOM 754 CE1 PHE A 54 6.053 -2.055 7.033 1.00 0.00 C ATOM 755 CE2 PHE A 54 7.119 -0.597 5.467 1.00 0.00 C ATOM 756 CZ PHE A 54 7.081 -1.190 6.714 1.00 0.00 C ATOM 0 H PHE A 54 3.863 -4.945 4.643 1.00 0.00 H new ATOM 0 HA PHE A 54 3.738 -3.394 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.058 -1.284 3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.043 -1.931 4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.263 -3.001 6.359 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.162 -0.401 3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.021 -2.521 8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.923 0.079 5.214 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.854 -0.978 7.438 1.00 0.00 H new ATOM 766 N LYS A 55 6.122 -3.974 1.959 1.00 0.00 N ATOM 767 CA LYS A 55 7.510 -4.378 1.769 1.00 0.00 C ATOM 768 C LYS A 55 8.196 -3.495 0.732 1.00 0.00 C ATOM 769 O LYS A 55 8.050 -3.706 -0.473 1.00 0.00 O ATOM 770 CB LYS A 55 7.581 -5.844 1.335 1.00 0.00 C ATOM 771 CG LYS A 55 8.999 -6.374 1.212 1.00 0.00 C ATOM 772 CD LYS A 55 9.669 -6.494 2.571 1.00 0.00 C ATOM 773 CE LYS A 55 9.153 -7.700 3.342 1.00 0.00 C ATOM 774 NZ LYS A 55 9.511 -8.981 2.673 1.00 0.00 N ATOM 0 H LYS A 55 5.613 -3.795 1.093 1.00 0.00 H new ATOM 0 HA LYS A 55 8.030 -4.262 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.035 -6.454 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.076 -5.955 0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.983 -7.349 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.583 -5.710 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.748 -6.579 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.488 -5.587 3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.566 -7.690 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.070 -7.632 3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.471 -9.757 3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.839 -9.170 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.473 -8.913 2.284 1.00 0.00 H new ATOM 788 N THR A 56 8.948 -2.507 1.207 1.00 0.00 N ATOM 789 CA THR A 56 9.657 -1.593 0.321 1.00 0.00 C ATOM 790 C THR A 56 11.153 -1.888 0.309 1.00 0.00 C ATOM 791 O THR A 56 11.734 -2.240 1.336 1.00 0.00 O ATOM 792 CB THR A 56 9.438 -0.125 0.735 1.00 0.00 C ATOM 793 OG1 THR A 56 8.038 0.144 0.863 1.00 0.00 O ATOM 794 CG2 THR A 56 10.051 0.822 -0.285 1.00 0.00 C ATOM 0 H THR A 56 9.082 -2.320 2.201 1.00 0.00 H new ATOM 0 HA THR A 56 9.251 -1.745 -0.679 1.00 0.00 H new ATOM 0 HB THR A 56 9.927 0.036 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.881 0.687 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.884 1.852 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.122 0.634 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.587 0.659 -1.258 1.00 0.00 H new ATOM 802 N PHE A 57 11.771 -1.741 -0.858 1.00 0.00 N ATOM 803 CA PHE A 57 13.200 -1.992 -1.002 1.00 0.00 C ATOM 804 C PHE A 57 13.886 -0.833 -1.720 1.00 0.00 C ATOM 805 O PHE A 57 13.705 -0.638 -2.921 1.00 0.00 O ATOM 806 CB PHE A 57 13.436 -3.294 -1.772 1.00 0.00 C ATOM 807 CG PHE A 57 12.819 -4.497 -1.117 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.234 -4.908 0.139 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.824 -5.217 -1.759 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.668 -6.014 0.744 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.254 -6.323 -1.158 1.00 0.00 C ATOM 812 CZ PHE A 57 11.677 -6.723 0.094 1.00 0.00 C ATOM 0 H PHE A 57 11.305 -1.450 -1.717 1.00 0.00 H new ATOM 0 HA PHE A 57 13.629 -2.084 -0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.031 -3.190 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.509 -3.456 -1.875 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.009 -4.358 0.652 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.491 -4.910 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.000 -6.324 1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.478 -6.875 -1.668 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.234 -7.589 0.564 1.00 0.00 H new ATOM 822 N GLY A 58 14.675 -0.066 -0.973 1.00 0.00 N ATOM 823 CA GLY A 58 15.376 1.064 -1.553 1.00 0.00 C ATOM 824 C GLY A 58 15.530 2.214 -0.577 1.00 0.00 C ATOM 825 O GLY A 58 15.899 2.011 0.580 1.00 0.00 O ATOM 0 H GLY A 58 14.841 -0.208 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.362 0.742 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.836 1.409 -2.434 1.00 0.00 H new ATOM 829 N CYS A 59 15.248 3.426 -1.044 1.00 0.00 N ATOM 830 CA CYS A 59 15.360 4.613 -0.206 1.00 0.00 C ATOM 831 C CYS A 59 14.335 4.579 0.924 1.00 0.00 C ATOM 832 O CYS A 59 13.192 4.168 0.728 1.00 0.00 O ATOM 833 CB CYS A 59 15.166 5.877 -1.047 1.00 0.00 C ATOM 834 SG CYS A 59 13.422 6.317 -1.336 1.00 0.00 S ATOM 0 H CYS A 59 14.940 3.611 -1.999 1.00 0.00 H new ATOM 0 HA CYS A 59 16.358 4.625 0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.662 6.711 -0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.659 5.740 -2.009 1.00 0.00 H new ATOM 0 HG CYS A 59 12.657 5.345 -0.935 1.00 0.00 H new ATOM 839 N GLY A 60 14.753 5.015 2.109 1.00 0.00 N ATOM 840 CA GLY A 60 13.861 5.026 3.253 1.00 0.00 C ATOM 841 C GLY A 60 12.548 5.723 2.957 1.00 0.00 C ATOM 842 O GLY A 60 11.475 5.175 3.211 1.00 0.00 O ATOM 0 H GLY A 60 15.694 5.361 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.662 4.001 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.353 5.524 4.089 1.00 0.00 H new ATOM 846 N SER A 61 12.631 6.936 2.419 1.00 0.00 N ATOM 847 CA SER A 61 11.439 7.711 2.093 1.00 0.00 C ATOM 848 C SER A 61 10.312 6.800 1.617 1.00 0.00 C ATOM 849 O SER A 61 9.143 7.026 1.928 1.00 0.00 O ATOM 850 CB SER A 61 11.760 8.750 1.017 1.00 0.00 C ATOM 851 OG SER A 61 12.922 9.489 1.352 1.00 0.00 O ATOM 0 H SER A 61 13.511 7.403 2.200 1.00 0.00 H new ATOM 0 HA SER A 61 11.110 8.224 2.997 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.906 8.252 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.915 9.429 0.899 1.00 0.00 H new ATOM 0 HG SER A 61 12.669 10.405 1.592 1.00 0.00 H new ATOM 857 N ALA A 62 10.673 5.769 0.859 1.00 0.00 N ATOM 858 CA ALA A 62 9.693 4.823 0.340 1.00 0.00 C ATOM 859 C ALA A 62 9.144 3.936 1.453 1.00 0.00 C ATOM 860 O ALA A 62 7.934 3.733 1.557 1.00 0.00 O ATOM 861 CB ALA A 62 10.313 3.971 -0.758 1.00 0.00 C ATOM 0 H ALA A 62 11.636 5.568 0.591 1.00 0.00 H new ATOM 0 HA ALA A 62 8.863 5.391 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.570 3.269 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.652 4.614 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.162 3.419 -0.355 1.00 0.00 H new ATOM 867 N ILE A 63 10.040 3.412 2.282 1.00 0.00 N ATOM 868 CA ILE A 63 9.644 2.548 3.387 1.00 0.00 C ATOM 869 C ILE A 63 8.730 3.284 4.360 1.00 0.00 C ATOM 870 O ILE A 63 7.744 2.729 4.843 1.00 0.00 O ATOM 871 CB ILE A 63 10.869 2.016 4.154 1.00 0.00 C ATOM 872 CG1 ILE A 63 11.782 1.225 3.215 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.427 1.152 5.325 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.188 1.049 3.744 1.00 0.00 C ATOM 0 H ILE A 63 11.045 3.571 2.210 1.00 0.00 H new ATOM 0 HA ILE A 63 9.105 1.707 2.951 1.00 0.00 H new ATOM 0 HB ILE A 63 11.430 2.864 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.344 0.243 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.826 1.733 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.304 0.784 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.814 1.745 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.846 0.307 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.778 0.479 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.645 2.027 3.895 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.155 0.514 4.693 1.00 0.00 H new ATOM 886 N ALA A 64 9.063 4.540 4.643 1.00 0.00 N ATOM 887 CA ALA A 64 8.271 5.354 5.555 1.00 0.00 C ATOM 888 C ALA A 64 6.865 5.582 5.008 1.00 0.00 C ATOM 889 O ALA A 64 5.888 5.058 5.543 1.00 0.00 O ATOM 890 CB ALA A 64 8.962 6.685 5.810 1.00 0.00 C ATOM 0 H ALA A 64 9.877 5.015 4.253 1.00 0.00 H new ATOM 0 HA ALA A 64 8.183 4.816 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.359 7.283 6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.942 6.507 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.081 7.220 4.868 1.00 0.00 H new ATOM 896 N SER A 65 6.771 6.366 3.939 1.00 0.00 N ATOM 897 CA SER A 65 5.485 6.667 3.322 1.00 0.00 C ATOM 898 C SER A 65 4.596 5.427 3.288 1.00 0.00 C ATOM 899 O SER A 65 3.417 5.485 3.638 1.00 0.00 O ATOM 900 CB SER A 65 5.688 7.201 1.903 1.00 0.00 C ATOM 901 OG SER A 65 6.178 8.530 1.924 1.00 0.00 O ATOM 0 H SER A 65 7.571 6.804 3.482 1.00 0.00 H new ATOM 0 HA SER A 65 4.992 7.431 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.388 6.560 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.744 7.167 1.360 1.00 0.00 H new ATOM 0 HG SER A 65 6.301 8.848 1.005 1.00 0.00 H new ATOM 907 N SER A 66 5.170 4.306 2.865 1.00 0.00 N ATOM 908 CA SER A 66 4.430 3.052 2.781 1.00 0.00 C ATOM 909 C SER A 66 3.957 2.608 4.162 1.00 0.00 C ATOM 910 O SER A 66 2.761 2.430 4.392 1.00 0.00 O ATOM 911 CB SER A 66 5.301 1.962 2.153 1.00 0.00 C ATOM 912 OG SER A 66 6.532 1.832 2.843 1.00 0.00 O ATOM 0 H SER A 66 6.146 4.240 2.575 1.00 0.00 H new ATOM 0 HA SER A 66 3.556 3.216 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.768 1.011 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.491 2.201 1.107 1.00 0.00 H new ATOM 0 HG SER A 66 7.205 2.407 2.422 1.00 0.00 H new ATOM 918 N SER A 67 4.904 2.429 5.077 1.00 0.00 N ATOM 919 CA SER A 67 4.586 2.002 6.434 1.00 0.00 C ATOM 920 C SER A 67 3.347 2.725 6.954 1.00 0.00 C ATOM 921 O SER A 67 2.487 2.122 7.598 1.00 0.00 O ATOM 922 CB SER A 67 5.772 2.263 7.365 1.00 0.00 C ATOM 923 OG SER A 67 5.845 3.631 7.726 1.00 0.00 O ATOM 0 H SER A 67 5.899 2.573 4.903 1.00 0.00 H new ATOM 0 HA SER A 67 4.379 0.932 6.413 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.676 1.652 8.262 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.697 1.964 6.873 1.00 0.00 H new ATOM 0 HG SER A 67 6.164 4.155 6.961 1.00 0.00 H new ATOM 929 N LEU A 68 3.263 4.020 6.671 1.00 0.00 N ATOM 930 CA LEU A 68 2.130 4.827 7.110 1.00 0.00 C ATOM 931 C LEU A 68 0.885 4.511 6.287 1.00 0.00 C ATOM 932 O LEU A 68 -0.232 4.523 6.803 1.00 0.00 O ATOM 933 CB LEU A 68 2.465 6.315 6.998 1.00 0.00 C ATOM 934 CG LEU A 68 1.282 7.279 7.095 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.727 8.616 7.666 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.636 7.468 5.730 1.00 0.00 C ATOM 0 H LEU A 68 3.966 4.534 6.140 1.00 0.00 H new ATOM 0 HA LEU A 68 1.925 4.584 8.153 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.178 6.566 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.968 6.483 6.045 1.00 0.00 H new ATOM 0 HG LEU A 68 0.542 6.849 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.871 9.288 7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.143 8.466 8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.487 9.054 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.204 8.157 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.369 7.876 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.280 6.507 5.360 1.00 0.00 H new ATOM 948 N ALA A 69 1.087 4.228 5.004 1.00 0.00 N ATOM 949 CA ALA A 69 -0.019 3.905 4.111 1.00 0.00 C ATOM 950 C ALA A 69 -0.652 2.568 4.482 1.00 0.00 C ATOM 951 O ALA A 69 -1.866 2.472 4.662 1.00 0.00 O ATOM 952 CB ALA A 69 0.460 3.882 2.666 1.00 0.00 C ATOM 0 H ALA A 69 2.005 4.216 4.560 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.779 4.679 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.376 3.640 2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.859 4.861 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.240 3.129 2.553 1.00 0.00 H new ATOM 958 N THR A 70 0.179 1.536 4.593 1.00 0.00 N ATOM 959 CA THR A 70 -0.300 0.204 4.941 1.00 0.00 C ATOM 960 C THR A 70 -0.994 0.206 6.298 1.00 0.00 C ATOM 961 O THR A 70 -1.730 -0.723 6.629 1.00 0.00 O ATOM 962 CB THR A 70 0.853 -0.818 4.968 1.00 0.00 C ATOM 963 OG1 THR A 70 0.363 -2.118 4.620 1.00 0.00 O ATOM 964 CG2 THR A 70 1.501 -0.866 6.343 1.00 0.00 C ATOM 0 H THR A 70 1.187 1.597 4.447 1.00 0.00 H new ATOM 0 HA THR A 70 -1.015 -0.086 4.171 1.00 0.00 H new ATOM 0 HB THR A 70 1.603 -0.506 4.241 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.733 -2.386 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.312 -1.594 6.338 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.898 0.118 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.758 -1.156 7.086 1.00 0.00 H new ATOM 972 N GLU A 71 -0.755 1.255 7.078 1.00 0.00 N ATOM 973 CA GLU A 71 -1.358 1.376 8.400 1.00 0.00 C ATOM 974 C GLU A 71 -2.675 2.144 8.329 1.00 0.00 C ATOM 975 O GLU A 71 -3.475 2.113 9.264 1.00 0.00 O ATOM 976 CB GLU A 71 -0.397 2.078 9.362 1.00 0.00 C ATOM 977 CG GLU A 71 -1.034 2.462 10.687 1.00 0.00 C ATOM 978 CD GLU A 71 -0.031 2.515 11.823 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.225 1.458 12.437 1.00 0.00 O ATOM 980 OE2 GLU A 71 0.498 3.612 12.097 1.00 0.00 O ATOM 0 H GLU A 71 -0.149 2.033 6.818 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.562 0.372 8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.454 1.424 9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.007 2.976 8.882 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.515 3.435 10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.816 1.744 10.931 1.00 0.00 H new ATOM 987 N TRP A 72 -2.891 2.833 7.214 1.00 0.00 N ATOM 988 CA TRP A 72 -4.110 3.611 7.020 1.00 0.00 C ATOM 989 C TRP A 72 -5.229 2.738 6.463 1.00 0.00 C ATOM 990 O TRP A 72 -6.381 2.846 6.883 1.00 0.00 O ATOM 991 CB TRP A 72 -3.845 4.786 6.078 1.00 0.00 C ATOM 992 CG TRP A 72 -3.247 5.975 6.766 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.914 6.077 8.086 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.912 7.232 6.168 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.392 7.322 8.345 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.379 8.049 7.185 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.008 7.747 4.872 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.947 9.351 6.944 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.578 9.039 4.635 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.053 9.828 5.666 1.00 0.00 C ATOM 0 H TRP A 72 -2.239 2.869 6.431 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.424 3.997 7.990 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.175 4.461 5.282 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.781 5.082 5.605 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -3.042 5.294 8.819 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.067 7.651 9.254 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.411 7.146 4.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.543 9.962 7.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.648 9.447 3.638 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.725 10.834 5.448 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.883 1.873 5.515 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.859 0.980 4.902 1.00 0.00 C ATOM 1013 C VAL A 73 -6.496 0.064 5.941 1.00 0.00 C ATOM 1014 O VAL A 73 -7.709 -0.144 5.941 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.216 0.119 3.799 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.641 0.999 2.700 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.142 -0.784 4.387 1.00 0.00 C ATOM 0 H VAL A 73 -3.934 1.772 5.155 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.629 1.610 4.458 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.988 -0.512 3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.191 0.372 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.438 1.599 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.881 1.658 3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.698 -1.385 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.370 -0.174 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.588 -1.441 5.134 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.669 -0.481 6.827 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.150 -1.374 7.874 1.00 0.00 C ATOM 1029 C LYS A 74 -7.436 -0.840 8.496 1.00 0.00 C ATOM 1030 O LYS A 74 -7.521 0.333 8.859 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.081 -1.547 8.955 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.686 -1.778 8.400 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.853 -2.644 9.329 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.446 -2.848 8.788 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.501 -1.814 9.295 1.00 0.00 N ATOM 0 H LYS A 74 -4.662 -0.320 6.841 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.361 -2.343 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.069 -0.659 9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.353 -2.388 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.757 -2.255 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.189 -0.819 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.802 -2.179 10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.338 -3.611 9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.088 -3.838 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.468 -2.817 7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.428 -2.248 9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.403 -1.057 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.867 -1.414 10.182 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.435 -1.709 8.618 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.703 -1.306 9.199 1.00 0.00 C ATOM 1051 C GLY A 75 -10.634 -0.681 8.179 1.00 0.00 C ATOM 1052 O GLY A 75 -11.854 -0.816 8.276 1.00 0.00 O ATOM 0 H GLY A 75 -8.389 -2.685 8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.188 -2.175 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.521 -0.594 10.004 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.060 0.007 7.198 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.846 0.657 6.156 1.00 0.00 C ATOM 1058 C LYS A 76 -11.209 -0.332 5.053 1.00 0.00 C ATOM 1059 O LYS A 76 -10.779 -1.486 5.072 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.071 1.836 5.564 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.973 3.030 6.498 1.00 0.00 C ATOM 1062 CD LYS A 76 -9.139 4.146 5.891 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.478 5.494 6.509 1.00 0.00 C ATOM 1064 NZ LYS A 76 -9.569 5.416 7.993 1.00 0.00 N ATOM 0 H LYS A 76 -9.052 0.129 7.103 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.767 1.026 6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.065 1.505 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.553 2.149 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.973 3.402 6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.531 2.718 7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.080 3.932 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.309 4.185 4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.718 6.223 6.230 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.426 5.851 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.513 6.374 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.474 4.980 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.784 4.840 8.359 1.00 0.00 H new ATOM 1078 N THR A 77 -12.003 0.127 4.090 1.00 0.00 N ATOM 1079 CA THR A 77 -12.423 -0.717 2.978 1.00 0.00 C ATOM 1080 C THR A 77 -11.715 -0.319 1.688 1.00 0.00 C ATOM 1081 O THR A 77 -11.117 0.754 1.601 1.00 0.00 O ATOM 1082 CB THR A 77 -13.946 -0.641 2.760 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.316 0.680 2.348 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.694 -1.009 4.032 1.00 0.00 C ATOM 0 H THR A 77 -12.368 1.079 4.058 1.00 0.00 H new ATOM 0 HA THR A 77 -12.151 -1.740 3.237 1.00 0.00 H new ATOM 0 HB THR A 77 -14.215 -1.354 1.980 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.285 0.720 2.210 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.768 -0.948 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.432 -2.025 4.327 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.419 -0.318 4.829 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.787 -1.190 0.686 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.155 -0.928 -0.601 1.00 0.00 C ATOM 1094 C VAL A 78 -11.570 0.431 -1.151 1.00 0.00 C ATOM 1095 O VAL A 78 -10.730 1.220 -1.584 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.508 -2.017 -1.632 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.043 -3.382 -1.148 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.004 -2.022 -1.908 1.00 0.00 C ATOM 0 H VAL A 78 -12.277 -2.083 0.741 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.078 -0.934 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.989 -1.793 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.301 -4.138 -1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.963 -3.368 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.532 -3.619 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.237 -2.797 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.544 -2.222 -0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.305 -1.051 -2.301 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.872 0.699 -1.131 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.399 1.965 -1.629 1.00 0.00 C ATOM 1110 C GLU A 79 -12.702 3.145 -0.958 1.00 0.00 C ATOM 1111 O GLU A 79 -12.323 4.112 -1.619 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.908 2.045 -1.387 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.688 0.911 -2.031 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.045 0.698 -1.387 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.952 1.522 -1.626 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.199 -0.295 -0.645 1.00 0.00 O ATOM 0 H GLU A 79 -13.581 0.057 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.207 2.013 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.096 2.040 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.279 2.995 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.822 1.124 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.108 -0.009 -1.961 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.538 3.059 0.358 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.888 4.120 1.118 1.00 0.00 C ATOM 1125 C GLU A 80 -10.445 4.312 0.659 1.00 0.00 C ATOM 1126 O GLU A 80 -10.001 5.436 0.427 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.922 3.801 2.614 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.324 3.587 3.159 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.128 4.870 3.221 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.744 5.776 3.990 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.143 4.969 2.499 1.00 0.00 O ATOM 0 H GLU A 80 -12.846 2.266 0.920 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.434 5.047 0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.329 2.906 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.449 4.616 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.847 2.865 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.259 3.155 4.157 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.719 3.207 0.533 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.327 3.252 0.102 1.00 0.00 C ATOM 1140 C ALA A 81 -8.180 4.038 -1.197 1.00 0.00 C ATOM 1141 O ALA A 81 -7.345 4.938 -1.299 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.781 1.842 -0.068 1.00 0.00 C ATOM 0 H ALA A 81 -10.071 2.269 0.723 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.750 3.763 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.741 1.891 -0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.842 1.311 0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.368 1.312 -0.818 1.00 0.00 H new ATOM 1148 N LEU A 82 -8.996 3.693 -2.187 1.00 0.00 N ATOM 1149 CA LEU A 82 -8.956 4.366 -3.481 1.00 0.00 C ATOM 1150 C LEU A 82 -9.006 5.881 -3.308 1.00 0.00 C ATOM 1151 O LEU A 82 -8.430 6.627 -4.101 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.123 3.903 -4.355 1.00 0.00 C ATOM 1153 CG LEU A 82 -9.843 2.710 -5.270 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.803 3.073 -6.317 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.386 1.509 -4.455 1.00 0.00 C ATOM 0 H LEU A 82 -9.693 2.952 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.018 4.105 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.960 3.648 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.444 4.742 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.767 2.445 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.617 2.212 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.169 3.903 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.876 3.365 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.191 0.669 -5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.474 1.762 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.165 1.234 -3.744 1.00 0.00 H new ATOM 1167 N THR A 83 -9.697 6.331 -2.265 1.00 0.00 N ATOM 1168 CA THR A 83 -9.820 7.756 -1.987 1.00 0.00 C ATOM 1169 C THR A 83 -8.509 8.330 -1.465 1.00 0.00 C ATOM 1170 O THR A 83 -8.180 9.488 -1.726 1.00 0.00 O ATOM 1171 CB THR A 83 -10.934 8.033 -0.959 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.426 7.870 0.370 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.114 7.097 -1.175 1.00 0.00 C ATOM 0 H THR A 83 -10.180 5.728 -1.599 1.00 0.00 H new ATOM 0 HA THR A 83 -10.075 8.241 -2.929 1.00 0.00 H new ATOM 0 HB THR A 83 -11.275 9.059 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.586 6.951 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.888 7.311 -0.438 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.517 7.244 -2.177 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.784 6.064 -1.065 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.763 7.514 -0.727 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.486 7.942 -0.170 1.00 0.00 C ATOM 1183 C ILE A 84 -5.610 8.591 -1.237 1.00 0.00 C ATOM 1184 O ILE A 84 -5.226 7.949 -2.215 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.721 6.761 0.457 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.515 6.175 1.627 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.342 7.208 0.918 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.925 4.895 2.176 1.00 0.00 C ATOM 0 H ILE A 84 -8.021 6.553 -0.501 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.710 8.673 0.607 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.596 5.986 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.567 6.914 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.538 5.984 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.814 6.362 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.777 7.584 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.445 7.999 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.539 4.537 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.898 4.140 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.912 5.084 2.532 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.296 9.867 -1.041 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.463 10.603 -1.984 1.00 0.00 C ATOM 1202 C LYS A 85 -2.994 10.537 -1.579 1.00 0.00 C ATOM 1203 O LYS A 85 -2.671 10.402 -0.400 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.916 12.063 -2.064 1.00 0.00 C ATOM 1205 CG LYS A 85 -5.176 12.695 -0.707 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.625 12.527 -0.283 1.00 0.00 C ATOM 1207 CE LYS A 85 -7.482 13.693 -0.753 1.00 0.00 C ATOM 1208 NZ LYS A 85 -7.196 14.936 0.015 1.00 0.00 N ATOM 0 H LYS A 85 -5.606 10.413 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.572 10.140 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.154 12.643 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.825 12.120 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.523 12.241 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.927 13.756 -0.745 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.019 11.596 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.681 12.447 0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.302 13.872 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.536 13.435 -0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.980 15.608 -0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.093 14.705 1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.315 15.365 -0.334 1.00 0.00 H new ATOM 1222 N ASN A 86 -2.108 10.635 -2.565 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.673 10.587 -2.310 1.00 0.00 C ATOM 1224 C ASN A 86 -0.157 11.946 -1.845 1.00 0.00 C ATOM 1225 O ASN A 86 0.946 12.054 -1.309 1.00 0.00 O ATOM 1226 CB ASN A 86 0.076 10.150 -3.571 1.00 0.00 C ATOM 1227 CG ASN A 86 0.175 11.261 -4.599 1.00 0.00 C ATOM 1228 OD1 ASN A 86 1.044 12.231 -4.339 1.00 0.00 O flip ATOM 1229 ND2 ASN A 86 -0.521 11.247 -5.614 1.00 0.00 N flip ATOM 0 H ASN A 86 -2.358 10.748 -3.547 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.494 9.859 -1.518 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.079 9.820 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.432 9.293 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.176 10.481 -5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.443 12.001 -6.296 1.00 0.00 H new ATOM 1236 N THR A 87 -0.964 12.982 -2.051 1.00 0.00 N ATOM 1237 CA THR A 87 -0.591 14.333 -1.654 1.00 0.00 C ATOM 1238 C THR A 87 -0.616 14.487 -0.137 1.00 0.00 C ATOM 1239 O THR A 87 0.236 15.160 0.442 1.00 0.00 O ATOM 1240 CB THR A 87 -1.528 15.382 -2.281 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.835 15.278 -1.706 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.616 15.198 -3.788 1.00 0.00 C ATOM 0 H THR A 87 -1.881 12.910 -2.491 1.00 0.00 H new ATOM 0 HA THR A 87 0.423 14.500 -2.017 1.00 0.00 H new ATOM 0 HB THR A 87 -1.118 16.371 -2.075 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.424 15.950 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.283 15.950 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.624 15.307 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.004 14.204 -4.011 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.598 13.858 0.500 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.733 13.924 1.950 1.00 0.00 C ATOM 1252 C ASP A 88 -0.563 13.227 2.637 1.00 0.00 C ATOM 1253 O ASP A 88 -0.074 13.686 3.670 1.00 0.00 O ATOM 1254 CB ASP A 88 -3.052 13.286 2.390 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.202 14.274 2.387 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.050 15.358 1.786 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -5.253 13.963 2.985 1.00 0.00 O ATOM 0 H ASP A 88 -2.312 13.297 0.035 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.730 14.974 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.289 12.455 1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.936 12.871 3.391 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.119 12.117 2.057 1.00 0.00 N ATOM 1263 CA ILE A 89 0.994 11.357 2.614 1.00 0.00 C ATOM 1264 C ILE A 89 2.271 12.189 2.636 1.00 0.00 C ATOM 1265 O ILE A 89 2.832 12.456 3.698 1.00 0.00 O ATOM 1266 CB ILE A 89 1.249 10.066 1.815 1.00 0.00 C ATOM 1267 CG1 ILE A 89 -0.031 9.232 1.727 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.370 9.260 2.455 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.033 8.134 0.689 1.00 0.00 C ATOM 0 H ILE A 89 -0.513 11.724 1.202 1.00 0.00 H new ATOM 0 HA ILE A 89 0.717 11.094 3.635 1.00 0.00 H new ATOM 0 HB ILE A 89 1.553 10.337 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.233 8.788 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.869 9.890 1.497 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.539 8.350 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.283 9.855 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.092 8.997 3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.908 7.584 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.204 8.572 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.849 7.453 0.930 1.00 0.00 H new ATOM 1281 N ALA A 90 2.724 12.599 1.455 1.00 0.00 N ATOM 1282 CA ALA A 90 3.933 13.405 1.339 1.00 0.00 C ATOM 1283 C ALA A 90 4.031 14.416 2.476 1.00 0.00 C ATOM 1284 O ALA A 90 5.117 14.689 2.987 1.00 0.00 O ATOM 1285 CB ALA A 90 3.967 14.115 -0.006 1.00 0.00 C ATOM 0 H ALA A 90 2.272 12.386 0.566 1.00 0.00 H new ATOM 0 HA ALA A 90 4.792 12.738 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.875 14.713 -0.079 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.954 13.377 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.096 14.765 -0.097 1.00 0.00 H new ATOM 1291 N LYS A 91 2.889 14.970 2.868 1.00 0.00 N ATOM 1292 CA LYS A 91 2.844 15.952 3.945 1.00 0.00 C ATOM 1293 C LYS A 91 2.984 15.275 5.305 1.00 0.00 C ATOM 1294 O LYS A 91 3.659 15.787 6.196 1.00 0.00 O ATOM 1295 CB LYS A 91 1.534 16.742 3.889 1.00 0.00 C ATOM 1296 CG LYS A 91 1.552 18.010 4.725 1.00 0.00 C ATOM 1297 CD LYS A 91 0.159 18.598 4.877 1.00 0.00 C ATOM 1298 CE LYS A 91 0.156 19.785 5.827 1.00 0.00 C ATOM 1299 NZ LYS A 91 -1.162 19.954 6.499 1.00 0.00 N ATOM 0 H LYS A 91 1.981 14.755 2.455 1.00 0.00 H new ATOM 0 HA LYS A 91 3.681 16.638 3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.321 17.003 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.719 16.103 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.965 17.792 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.209 18.745 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.214 18.910 3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.522 17.832 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.933 19.650 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.401 20.692 5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.123 20.773 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.900 20.108 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.385 19.098 7.046 1.00 0.00 H new ATOM 1313 N GLU A 92 2.343 14.120 5.454 1.00 0.00 N ATOM 1314 CA GLU A 92 2.397 13.373 6.705 1.00 0.00 C ATOM 1315 C GLU A 92 3.842 13.093 7.109 1.00 0.00 C ATOM 1316 O GLU A 92 4.224 13.284 8.264 1.00 0.00 O ATOM 1317 CB GLU A 92 1.629 12.056 6.573 1.00 0.00 C ATOM 1318 CG GLU A 92 0.185 12.145 7.040 1.00 0.00 C ATOM 1319 CD GLU A 92 -0.560 13.308 6.414 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.276 14.465 6.789 1.00 0.00 O ATOM 1321 OE2 GLU A 92 -1.426 13.061 5.549 1.00 0.00 O ATOM 0 H GLU A 92 1.781 13.682 4.725 1.00 0.00 H new ATOM 0 HA GLU A 92 1.931 13.980 7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.646 11.738 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.142 11.286 7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.330 11.215 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.164 12.246 8.125 1.00 0.00 H new ATOM 1328 N LEU A 93 4.640 12.638 6.149 1.00 0.00 N ATOM 1329 CA LEU A 93 6.044 12.331 6.403 1.00 0.00 C ATOM 1330 C LEU A 93 6.918 13.564 6.197 1.00 0.00 C ATOM 1331 O LEU A 93 8.048 13.623 6.682 1.00 0.00 O ATOM 1332 CB LEU A 93 6.513 11.200 5.486 1.00 0.00 C ATOM 1333 CG LEU A 93 5.715 9.898 5.564 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.095 9.733 6.943 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.640 9.865 4.487 1.00 0.00 C ATOM 0 H LEU A 93 4.339 12.474 5.188 1.00 0.00 H new ATOM 0 HA LEU A 93 6.138 12.012 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.485 11.558 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.555 10.979 5.719 1.00 0.00 H new ATOM 0 HG LEU A 93 6.398 9.066 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.531 8.801 6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.883 9.710 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.426 10.570 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.082 8.931 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.960 10.705 4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.107 9.935 3.505 1.00 0.00 H new ATOM 1347 N CYS A 94 6.386 14.546 5.478 1.00 0.00 N ATOM 1348 CA CYS A 94 7.117 15.779 5.209 1.00 0.00 C ATOM 1349 C CYS A 94 8.393 15.494 4.425 1.00 0.00 C ATOM 1350 O CYS A 94 9.467 15.994 4.763 1.00 0.00 O ATOM 1351 CB CYS A 94 7.456 16.491 6.519 1.00 0.00 C ATOM 1352 SG CYS A 94 6.011 17.050 7.452 1.00 0.00 S ATOM 0 H CYS A 94 5.451 14.512 5.071 1.00 0.00 H new ATOM 0 HA CYS A 94 6.480 16.427 4.607 1.00 0.00 H new ATOM 0 HB2 CYS A 94 8.041 15.817 7.145 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.088 17.351 6.299 1.00 0.00 H new ATOM 0 HG CYS A 94 4.928 16.630 6.868 1.00 0.00 H new ATOM 1358 N LEU A 95 8.270 14.687 3.377 1.00 0.00 N ATOM 1359 CA LEU A 95 9.415 14.333 2.545 1.00 0.00 C ATOM 1360 C LEU A 95 9.778 15.478 1.604 1.00 0.00 C ATOM 1361 O LEU A 95 8.936 16.289 1.220 1.00 0.00 O ATOM 1362 CB LEU A 95 9.112 13.070 1.737 1.00 0.00 C ATOM 1363 CG LEU A 95 7.946 13.166 0.753 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.438 13.609 -0.616 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.220 11.832 0.655 1.00 0.00 C ATOM 0 H LEU A 95 7.389 14.265 3.083 1.00 0.00 H new ATOM 0 HA LEU A 95 10.265 14.142 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.008 12.795 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.907 12.257 2.434 1.00 0.00 H new ATOM 0 HG LEU A 95 7.244 13.913 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.594 13.672 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.912 14.587 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.161 12.886 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.393 11.919 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.913 11.065 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.833 11.555 1.636 1.00 0.00 H new ATOM 1377 N PRO A 96 11.062 15.544 1.221 1.00 0.00 N ATOM 1378 CA PRO A 96 11.565 16.583 0.317 1.00 0.00 C ATOM 1379 C PRO A 96 11.047 16.414 -1.107 1.00 0.00 C ATOM 1380 O PRO A 96 10.443 15.400 -1.457 1.00 0.00 O ATOM 1381 CB PRO A 96 13.082 16.387 0.361 1.00 0.00 C ATOM 1382 CG PRO A 96 13.268 14.956 0.731 1.00 0.00 C ATOM 1383 CD PRO A 96 12.120 14.611 1.639 1.00 0.00 C ATOM 0 HA PRO A 96 11.241 17.579 0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.538 16.609 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.546 17.049 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.270 14.321 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.223 14.804 1.234 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.811 13.573 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.383 14.746 2.688 1.00 0.00 H new ATOM 1391 N PRO A 97 11.287 17.430 -1.950 1.00 0.00 N ATOM 1392 CA PRO A 97 10.854 17.416 -3.350 1.00 0.00 C ATOM 1393 C PRO A 97 11.632 16.407 -4.188 1.00 0.00 C ATOM 1394 O PRO A 97 11.226 16.062 -5.297 1.00 0.00 O ATOM 1395 CB PRO A 97 11.143 18.842 -3.825 1.00 0.00 C ATOM 1396 CG PRO A 97 12.236 19.324 -2.934 1.00 0.00 C ATOM 1397 CD PRO A 97 12.002 18.669 -1.600 1.00 0.00 C ATOM 0 HA PRO A 97 9.809 17.122 -3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.450 18.856 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.258 19.473 -3.743 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.213 19.055 -3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.216 20.410 -2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.940 18.460 -1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.409 19.302 -0.940 1.00 0.00 H new ATOM 1405 N VAL A 98 12.753 15.937 -3.650 1.00 0.00 N ATOM 1406 CA VAL A 98 13.588 14.966 -4.347 1.00 0.00 C ATOM 1407 C VAL A 98 13.072 13.547 -4.138 1.00 0.00 C ATOM 1408 O VAL A 98 13.231 12.683 -5.000 1.00 0.00 O ATOM 1409 CB VAL A 98 15.052 15.044 -3.876 1.00 0.00 C ATOM 1410 CG1 VAL A 98 15.145 14.797 -2.378 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.911 14.050 -4.643 1.00 0.00 C ATOM 0 H VAL A 98 13.104 16.213 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 98 13.542 15.213 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 98 15.428 16.047 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 98 16.187 14.856 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.563 15.551 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.752 13.807 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.943 14.118 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.538 13.040 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.869 14.279 -5.708 1.00 0.00 H new ATOM 1421 N LYS A 99 12.452 13.313 -2.986 1.00 0.00 N ATOM 1422 CA LYS A 99 11.910 11.999 -2.661 1.00 0.00 C ATOM 1423 C LYS A 99 10.402 11.962 -2.885 1.00 0.00 C ATOM 1424 O LYS A 99 9.670 11.305 -2.144 1.00 0.00 O ATOM 1425 CB LYS A 99 12.230 11.637 -1.209 1.00 0.00 C ATOM 1426 CG LYS A 99 13.703 11.764 -0.861 1.00 0.00 C ATOM 1427 CD LYS A 99 14.546 10.757 -1.626 1.00 0.00 C ATOM 1428 CE LYS A 99 15.997 11.204 -1.722 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.924 10.049 -1.876 1.00 0.00 N ATOM 0 H LYS A 99 12.312 14.017 -2.261 1.00 0.00 H new ATOM 0 HA LYS A 99 12.376 11.268 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.652 12.282 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.907 10.613 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.046 12.774 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.839 11.614 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.495 9.787 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.138 10.625 -2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.114 11.879 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.264 11.767 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.903 10.395 -1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.831 9.418 -1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.686 9.526 -2.743 1.00 0.00 H new ATOM 1443 N LEU A 100 9.943 12.669 -3.911 1.00 0.00 N ATOM 1444 CA LEU A 100 8.521 12.716 -4.234 1.00 0.00 C ATOM 1445 C LEU A 100 8.050 11.385 -4.811 1.00 0.00 C ATOM 1446 O LEU A 100 6.985 10.883 -4.450 1.00 0.00 O ATOM 1447 CB LEU A 100 8.241 13.844 -5.228 1.00 0.00 C ATOM 1448 CG LEU A 100 7.907 15.207 -4.620 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.707 16.245 -5.714 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.668 15.110 -3.742 1.00 0.00 C ATOM 0 H LEU A 100 10.535 13.218 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 100 7.970 12.907 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.113 13.959 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.412 13.541 -5.867 1.00 0.00 H new ATOM 0 HG LEU A 100 8.745 15.521 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.470 17.208 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.620 16.335 -6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.887 15.937 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.445 16.089 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.822 14.773 -4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.848 14.398 -2.937 1.00 0.00 H new ATOM 1462 N HIS A 101 8.851 10.818 -5.707 1.00 0.00 N ATOM 1463 CA HIS A 101 8.516 9.543 -6.332 1.00 0.00 C ATOM 1464 C HIS A 101 7.935 8.572 -5.309 1.00 0.00 C ATOM 1465 O HIS A 101 7.094 7.735 -5.641 1.00 0.00 O ATOM 1466 CB HIS A 101 9.756 8.931 -6.986 1.00 0.00 C ATOM 1467 CG HIS A 101 10.851 8.615 -6.015 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.873 9.493 -5.721 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.080 7.510 -5.268 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.684 8.941 -4.837 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.225 7.738 -4.544 1.00 0.00 N ATOM 0 H HIS A 101 9.736 11.220 -6.017 1.00 0.00 H new ATOM 0 HA HIS A 101 7.763 9.729 -7.098 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.469 8.018 -7.507 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.137 9.621 -7.739 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.475 6.616 -5.245 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.572 9.396 -4.424 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.651 7.084 -3.887 1.00 0.00 H new ATOM 1479 N CYS A 102 8.388 8.689 -4.066 1.00 0.00 N ATOM 1480 CA CYS A 102 7.914 7.820 -2.994 1.00 0.00 C ATOM 1481 C CYS A 102 6.449 8.099 -2.677 1.00 0.00 C ATOM 1482 O CYS A 102 5.629 7.182 -2.626 1.00 0.00 O ATOM 1483 CB CYS A 102 8.766 8.013 -1.739 1.00 0.00 C ATOM 1484 SG CYS A 102 10.422 7.294 -1.853 1.00 0.00 S ATOM 0 H CYS A 102 9.083 9.377 -3.775 1.00 0.00 H new ATOM 0 HA CYS A 102 8.004 6.787 -3.330 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.858 9.080 -1.536 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.247 7.570 -0.889 1.00 0.00 H new ATOM 0 HG CYS A 102 11.250 8.183 -2.315 1.00 0.00 H new ATOM 1490 N SER A 103 6.127 9.370 -2.461 1.00 0.00 N ATOM 1491 CA SER A 103 4.761 9.770 -2.143 1.00 0.00 C ATOM 1492 C SER A 103 3.759 9.028 -3.022 1.00 0.00 C ATOM 1493 O SER A 103 2.943 8.248 -2.530 1.00 0.00 O ATOM 1494 CB SER A 103 4.594 11.280 -2.322 1.00 0.00 C ATOM 1495 OG SER A 103 4.588 11.633 -3.694 1.00 0.00 O ATOM 0 H SER A 103 6.794 10.141 -2.500 1.00 0.00 H new ATOM 0 HA SER A 103 4.566 9.511 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.663 11.604 -1.856 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.404 11.802 -1.813 1.00 0.00 H new ATOM 0 HG SER A 103 5.510 11.703 -4.018 1.00 0.00 H new ATOM 1501 N MET A 104 3.828 9.276 -4.326 1.00 0.00 N ATOM 1502 CA MET A 104 2.928 8.631 -5.274 1.00 0.00 C ATOM 1503 C MET A 104 3.090 7.115 -5.233 1.00 0.00 C ATOM 1504 O MET A 104 2.166 6.372 -5.568 1.00 0.00 O ATOM 1505 CB MET A 104 3.192 9.145 -6.691 1.00 0.00 C ATOM 1506 CG MET A 104 4.665 9.170 -7.063 1.00 0.00 C ATOM 1507 SD MET A 104 5.427 10.779 -6.774 1.00 0.00 S ATOM 1508 CE MET A 104 4.619 11.767 -8.031 1.00 0.00 C ATOM 0 H MET A 104 4.497 9.919 -4.750 1.00 0.00 H new ATOM 0 HA MET A 104 1.905 8.877 -4.990 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.657 8.516 -7.402 1.00 0.00 H new ATOM 0 HB3 MET A 104 2.785 10.152 -6.785 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.195 8.412 -6.485 1.00 0.00 H new ATOM 0 HG3 MET A 104 4.775 8.904 -8.114 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.260 12.606 -8.302 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.432 11.153 -8.912 1.00 0.00 H new ATOM 0 HE3 MET A 104 3.672 12.144 -7.644 1.00 0.00 H new ATOM 1518 N LEU A 105 4.268 6.661 -4.820 1.00 0.00 N ATOM 1519 CA LEU A 105 4.551 5.233 -4.735 1.00 0.00 C ATOM 1520 C LEU A 105 3.625 4.553 -3.732 1.00 0.00 C ATOM 1521 O LEU A 105 3.057 3.497 -4.012 1.00 0.00 O ATOM 1522 CB LEU A 105 6.010 5.005 -4.335 1.00 0.00 C ATOM 1523 CG LEU A 105 6.605 3.648 -4.713 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.752 3.531 -6.222 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.949 3.445 -4.027 1.00 0.00 C ATOM 0 H LEU A 105 5.043 7.262 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 105 4.377 4.794 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.618 5.786 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.093 5.128 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 105 5.924 2.867 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.177 2.559 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.773 3.631 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.411 4.319 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.358 2.474 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.638 4.232 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.815 3.484 -2.946 1.00 0.00 H new ATOM 1537 N ALA A 106 3.475 5.167 -2.563 1.00 0.00 N ATOM 1538 CA ALA A 106 2.614 4.623 -1.520 1.00 0.00 C ATOM 1539 C ALA A 106 1.188 4.435 -2.027 1.00 0.00 C ATOM 1540 O ALA A 106 0.597 3.368 -1.863 1.00 0.00 O ATOM 1541 CB ALA A 106 2.626 5.531 -0.299 1.00 0.00 C ATOM 0 H ALA A 106 3.938 6.041 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 106 3.003 3.645 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.979 5.113 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.643 5.611 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.265 6.521 -0.578 1.00 0.00 H new ATOM 1547 N GLU A 107 0.642 5.479 -2.643 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.716 5.428 -3.173 1.00 0.00 C ATOM 1549 C GLU A 107 -0.813 4.434 -4.327 1.00 0.00 C ATOM 1550 O GLU A 107 -1.628 3.511 -4.299 1.00 0.00 O ATOM 1551 CB GLU A 107 -1.157 6.816 -3.643 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.625 6.890 -4.028 1.00 0.00 C ATOM 1553 CD GLU A 107 -3.528 6.207 -3.020 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -3.296 6.378 -1.805 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -4.466 5.501 -3.446 1.00 0.00 O ATOM 0 H GLU A 107 1.118 6.369 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.378 5.096 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.961 7.538 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.550 7.110 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.919 7.935 -4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.764 6.429 -5.006 1.00 0.00 H new ATOM 1562 N ASP A 108 0.024 4.629 -5.340 1.00 0.00 N ATOM 1563 CA ASP A 108 0.034 3.750 -6.503 1.00 0.00 C ATOM 1564 C ASP A 108 -0.048 2.287 -6.080 1.00 0.00 C ATOM 1565 O ASP A 108 -0.706 1.478 -6.733 1.00 0.00 O ATOM 1566 CB ASP A 108 1.297 3.984 -7.334 1.00 0.00 C ATOM 1567 CG ASP A 108 1.117 3.583 -8.785 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.036 3.592 -9.266 1.00 0.00 O ATOM 1569 OD2 ASP A 108 2.130 3.260 -9.441 1.00 0.00 O ATOM 0 H ASP A 108 0.704 5.388 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.840 3.982 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.572 5.037 -7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 108 2.122 3.417 -6.903 1.00 0.00 H new ATOM 1574 N ALA A 109 0.626 1.955 -4.984 1.00 0.00 N ATOM 1575 CA ALA A 109 0.629 0.590 -4.473 1.00 0.00 C ATOM 1576 C ALA A 109 -0.745 0.201 -3.938 1.00 0.00 C ATOM 1577 O ALA A 109 -1.251 -0.883 -4.230 1.00 0.00 O ATOM 1578 CB ALA A 109 1.683 0.434 -3.387 1.00 0.00 C ATOM 0 H ALA A 109 1.177 2.613 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 109 0.872 -0.079 -5.298 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.673 -0.591 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.666 0.661 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.466 1.119 -2.568 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.344 1.092 -3.154 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.659 0.841 -2.580 1.00 0.00 C ATOM 1586 C ILE A 110 -3.687 0.544 -3.667 1.00 0.00 C ATOM 1587 O ILE A 110 -4.251 -0.549 -3.722 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.146 2.039 -1.743 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.252 2.227 -0.515 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.595 1.839 -1.324 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.315 3.621 0.070 1.00 0.00 C ATOM 0 H ILE A 110 -0.939 1.994 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.558 -0.029 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.086 2.939 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.543 1.507 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.221 2.003 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.924 2.694 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.221 1.748 -2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.679 0.931 -0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.657 3.682 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.996 4.345 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.338 3.842 0.375 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.924 1.524 -4.532 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.881 1.368 -5.621 1.00 0.00 C ATOM 1605 C LYS A 111 -4.656 0.053 -6.360 1.00 0.00 C ATOM 1606 O LYS A 111 -5.601 -0.689 -6.627 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.766 2.540 -6.599 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.527 3.778 -6.157 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.799 5.051 -6.554 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.630 6.287 -6.246 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.290 7.423 -7.147 1.00 0.00 N ATOM 0 H LYS A 111 -3.466 2.435 -4.500 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.883 1.356 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.714 2.796 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.136 2.226 -7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.522 3.773 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -5.661 3.757 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.849 5.109 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.568 5.022 -7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.688 6.047 -6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.468 6.584 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.878 8.246 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.286 7.669 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.468 7.149 -8.134 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.399 -0.231 -6.685 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.050 -1.458 -7.389 1.00 0.00 C ATOM 1627 C ALA A 112 -3.599 -2.682 -6.663 1.00 0.00 C ATOM 1628 O ALA A 112 -4.106 -3.612 -7.291 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.541 -1.568 -7.544 1.00 0.00 C ATOM 0 H ALA A 112 -2.605 0.373 -6.472 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.504 -1.420 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.296 -2.490 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.170 -0.715 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.074 -1.578 -6.559 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.494 -2.675 -5.339 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.982 -3.784 -4.528 1.00 0.00 C ATOM 1637 C ALA A 113 -5.484 -3.975 -4.705 1.00 0.00 C ATOM 1638 O ALA A 113 -5.932 -4.982 -5.256 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.647 -3.553 -3.062 1.00 0.00 C ATOM 0 H ALA A 113 -3.075 -1.914 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.485 -4.694 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.017 -4.389 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.566 -3.474 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.117 -2.630 -2.722 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.259 -3.004 -4.236 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.712 -3.065 -4.342 1.00 0.00 C ATOM 1647 C LEU A 114 -8.139 -3.467 -5.751 1.00 0.00 C ATOM 1648 O LEU A 114 -8.834 -4.465 -5.938 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.328 -1.713 -3.977 1.00 0.00 C ATOM 1650 CG LEU A 114 -7.911 -1.128 -2.627 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.582 -2.240 -1.643 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.722 -0.194 -2.796 1.00 0.00 C ATOM 0 H LEU A 114 -5.905 -2.164 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.071 -3.821 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.070 -0.996 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.413 -1.816 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.746 -0.552 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.287 -1.805 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.460 -2.870 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.763 -2.843 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.439 0.213 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.882 -0.747 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.992 0.621 -3.467 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.716 -2.684 -6.737 1.00 0.00 N ATOM 1665 CA ALA A 115 -8.050 -2.960 -8.129 1.00 0.00 C ATOM 1666 C ALA A 115 -7.828 -4.431 -8.465 1.00 0.00 C ATOM 1667 O ALA A 115 -8.778 -5.165 -8.741 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.229 -2.076 -9.055 1.00 0.00 C ATOM 0 H ALA A 115 -7.141 -1.853 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.107 -2.736 -8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.489 -2.293 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.440 -1.029 -8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.168 -2.272 -8.899 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.569 -4.855 -8.441 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.223 -6.239 -8.743 1.00 0.00 C ATOM 1676 C ASP A 116 -7.237 -7.200 -8.129 1.00 0.00 C ATOM 1677 O ASP A 116 -7.730 -8.108 -8.797 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.820 -6.560 -8.226 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.217 -7.776 -8.903 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -3.776 -7.649 -10.064 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -4.188 -8.853 -8.272 1.00 0.00 O ATOM 0 H ASP A 116 -5.772 -4.260 -8.216 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.241 -6.364 -9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.171 -5.699 -8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.863 -6.731 -7.150 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.542 -6.993 -6.853 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.495 -7.842 -6.147 1.00 0.00 C ATOM 1688 C TYR A 117 -9.864 -7.801 -6.820 1.00 0.00 C ATOM 1689 O TYR A 117 -10.540 -8.823 -6.943 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.618 -7.403 -4.687 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.972 -7.694 -4.080 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -11.001 -6.762 -4.148 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.222 -8.900 -3.437 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -12.239 -7.023 -3.594 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -11.458 -9.170 -2.881 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.463 -8.228 -2.962 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.694 -8.493 -2.409 1.00 0.00 O ATOM 0 H TYR A 117 -7.143 -6.245 -6.286 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.124 -8.866 -6.181 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.850 -7.906 -4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.421 -6.333 -4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.829 -5.817 -4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.437 -9.639 -3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -13.027 -6.287 -3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.636 -10.113 -2.386 1.00 0.00 H new ATOM 0 HH TYR A 117 -13.685 -9.385 -2.004 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.266 -6.612 -7.255 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.553 -6.435 -7.918 1.00 0.00 C ATOM 1709 C LYS A 118 -11.567 -7.132 -9.275 1.00 0.00 C ATOM 1710 O LYS A 118 -12.542 -7.792 -9.635 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.858 -4.945 -8.094 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.058 -4.206 -6.783 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.981 -2.700 -6.974 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.454 -2.006 -5.728 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.006 -0.631 -5.584 1.00 0.00 N ATOM 0 H LYS A 118 -9.719 -5.756 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.322 -6.886 -7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.041 -4.478 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.755 -4.836 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.027 -4.471 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.300 -4.522 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.333 -2.472 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.970 -2.312 -7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.712 -2.595 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.366 -1.958 -5.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.623 -0.191 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.739 -0.061 -6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.043 -0.678 -5.516 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.479 -6.982 -10.023 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.366 -7.598 -11.340 1.00 0.00 C ATOM 1731 C LEU A 119 -10.673 -9.091 -11.271 1.00 0.00 C ATOM 1732 O LEU A 119 -11.416 -9.622 -12.097 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.962 -7.380 -11.908 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.407 -5.960 -11.800 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.132 -5.821 -12.616 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.447 -4.945 -12.255 1.00 0.00 C ATOM 0 H LEU A 119 -9.663 -6.439 -9.740 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.095 -7.126 -11.999 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.276 -8.056 -11.397 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.969 -7.667 -12.960 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.168 -5.763 -10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.752 -4.803 -12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.384 -6.522 -12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.344 -6.038 -13.663 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.035 -3.939 -12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.717 -5.141 -13.293 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.334 -5.027 -11.627 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.098 -9.762 -10.279 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.312 -11.193 -10.099 1.00 0.00 C ATOM 1750 C LYS A 120 -11.781 -11.493 -9.820 1.00 0.00 C ATOM 1751 O LYS A 120 -12.328 -12.476 -10.318 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.447 -11.718 -8.951 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.024 -11.186 -8.968 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.049 -12.181 -8.363 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.599 -13.213 -9.385 1.00 0.00 C ATOM 1756 NZ LYS A 120 -5.674 -14.217 -8.790 1.00 0.00 N ATOM 0 H LYS A 120 -9.480 -9.338 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.026 -11.697 -11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -9.915 -11.450 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.419 -12.807 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -7.730 -10.965 -9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -7.979 -10.248 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.180 -11.650 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.519 -12.685 -7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.471 -13.722 -9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.103 -12.710 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.390 -14.903 -9.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -4.830 -13.735 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.155 -14.716 -8.014 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.414 -10.638 -9.023 1.00 0.00 N ATOM 1771 CA GLN A 121 -13.820 -10.812 -8.679 1.00 0.00 C ATOM 1772 C GLN A 121 -14.694 -10.777 -9.929 1.00 0.00 C ATOM 1773 O GLN A 121 -15.709 -11.469 -10.007 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.266 -9.725 -7.700 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.575 -9.803 -6.348 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.841 -11.112 -5.632 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.807 -11.235 -4.878 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.984 -12.099 -5.864 1.00 0.00 N ATOM 0 H GLN A 121 -11.975 -9.818 -8.604 1.00 0.00 H new ATOM 0 HA GLN A 121 -13.934 -11.787 -8.205 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.072 -8.748 -8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.343 -9.800 -7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.501 -9.680 -6.486 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.913 -8.976 -5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -12.197 -11.953 -6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -13.112 -13.003 -5.410 1.00 0.00 H new