USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 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 -92:sc= 0.035 USER MOD Set 1.2: A 59 CYS SG : rot -79:sc= -1.25 USER MOD Set 1.3: A 101 HIS : no HD1:sc= -0.866 K(o=-7.1,f=-9.9) USER MOD Set 1.4: A 102 CYS SG : rot 59:sc= -4.97 USER MOD Set 2.1: A 56 THR OG1 : rot 135:sc= 0.114 USER MOD Set 2.2: A 66 SER OG : rot 90:sc= 0.362 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0.00746 USER MOD Set 3.2: A 40 GLN : amide:sc= 0.00884 X(o=0.016,f=0.17) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.3 F(o=-2.1,f=-0.3) USER MOD Single : A 37 MET CE :methyl 166:sc= -4.06! (180deg=-4.18!) USER MOD Single : A 38 LYS NZ :NH3+ 149:sc= -0.488 (180deg=-1.7!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.144) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -100:sc= -0.581 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -45:sc= 1.14 USER MOD Single : A 70 THR OG1 : rot -150:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.022) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 83 THR OG1 : rot -84:sc= 1.17 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.3!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 20:sc= 1.02 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -166:sc= -0.786 USER MOD Single : A 104 MET CE :methyl -124:sc= -0.0288 (180deg=-2.48!) USER MOD Single : A 111 LYS NZ :NH3+ 141:sc= 0.0765 (180deg=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.137) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.177 -12.996 -2.585 1.00 0.00 N ATOM 282 CA ASN A 22 -9.633 -12.053 -1.571 1.00 0.00 C ATOM 283 C ASN A 22 -8.554 -11.019 -1.264 1.00 0.00 C ATOM 284 O ASN A 22 -8.854 -9.867 -0.952 1.00 0.00 O ATOM 285 CB ASN A 22 -10.021 -12.797 -0.291 1.00 0.00 C ATOM 286 CG ASN A 22 -8.918 -13.712 0.203 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.123 -13.224 1.148 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -8.782 -14.845 -0.260 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.508 -11.533 -1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.265 -12.073 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.921 -13.384 -0.474 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.416 -15.179 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.035 -15.449 0.082 1.00 0.00 H new ATOM 295 N VAL A 23 -7.296 -11.440 -1.356 1.00 0.00 N ATOM 296 CA VAL A 23 -6.172 -10.551 -1.091 1.00 0.00 C ATOM 297 C VAL A 23 -5.466 -10.156 -2.383 1.00 0.00 C ATOM 298 O VAL A 23 -4.985 -11.010 -3.126 1.00 0.00 O ATOM 299 CB VAL A 23 -5.151 -11.205 -0.141 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.796 -12.604 -0.621 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.904 -10.341 -0.022 1.00 0.00 C ATOM 0 H VAL A 23 -7.030 -12.391 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.580 -9.659 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.602 -11.289 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.074 -13.051 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.696 -13.218 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.364 -12.547 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.194 -10.818 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.448 -10.223 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.176 -9.362 0.371 1.00 0.00 H new ATOM 311 N GLY A 24 -5.408 -8.853 -2.646 1.00 0.00 N ATOM 312 CA GLY A 24 -4.759 -8.367 -3.849 1.00 0.00 C ATOM 313 C GLY A 24 -3.277 -8.123 -3.650 1.00 0.00 C ATOM 314 O GLY A 24 -2.781 -8.150 -2.523 1.00 0.00 O ATOM 0 H GLY A 24 -5.799 -8.126 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.900 -9.091 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.237 -7.441 -4.167 1.00 0.00 H new ATOM 318 N THR A 25 -2.565 -7.884 -4.747 1.00 0.00 N ATOM 319 CA THR A 25 -1.130 -7.637 -4.689 1.00 0.00 C ATOM 320 C THR A 25 -0.743 -6.438 -5.547 1.00 0.00 C ATOM 321 O THR A 25 -0.826 -6.487 -6.774 1.00 0.00 O ATOM 322 CB THR A 25 -0.328 -8.867 -5.155 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.805 -10.042 -4.490 1.00 0.00 O ATOM 324 CG2 THR A 25 1.155 -8.685 -4.872 1.00 0.00 C ATOM 0 H THR A 25 -2.960 -7.856 -5.687 1.00 0.00 H new ATOM 0 HA THR A 25 -0.888 -7.428 -3.647 1.00 0.00 H new ATOM 0 HB THR A 25 -0.465 -8.977 -6.231 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.292 -10.820 -4.792 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.701 -9.566 -5.210 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.521 -7.806 -5.402 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.307 -8.552 -3.801 1.00 0.00 H new ATOM 332 N GLY A 26 -0.319 -5.360 -4.894 1.00 0.00 N ATOM 333 CA GLY A 26 0.074 -4.163 -5.614 1.00 0.00 C ATOM 334 C GLY A 26 1.554 -3.864 -5.476 1.00 0.00 C ATOM 335 O GLY A 26 2.017 -3.463 -4.408 1.00 0.00 O ATOM 0 H GLY A 26 -0.241 -5.295 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.173 -4.280 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.501 -3.314 -5.244 1.00 0.00 H new ATOM 339 N LEU A 27 2.299 -4.062 -6.559 1.00 0.00 N ATOM 340 CA LEU A 27 3.736 -3.812 -6.554 1.00 0.00 C ATOM 341 C LEU A 27 4.078 -2.585 -7.393 1.00 0.00 C ATOM 342 O LEU A 27 3.886 -2.577 -8.609 1.00 0.00 O ATOM 343 CB LEU A 27 4.487 -5.033 -7.087 1.00 0.00 C ATOM 344 CG LEU A 27 6.011 -4.915 -7.136 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.545 -4.343 -5.832 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.642 -6.270 -7.424 1.00 0.00 C ATOM 0 H LEU A 27 1.932 -4.395 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 27 4.044 -3.623 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.229 -5.892 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.126 -5.246 -8.093 1.00 0.00 H new ATOM 0 HG LEU A 27 6.277 -4.233 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.631 -4.267 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.119 -3.353 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.268 -4.999 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.727 -6.167 -7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.367 -6.974 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.285 -6.641 -8.385 1.00 0.00 H new ATOM 358 N VAL A 28 4.589 -1.548 -6.735 1.00 0.00 N ATOM 359 CA VAL A 28 4.961 -0.316 -7.419 1.00 0.00 C ATOM 360 C VAL A 28 6.338 0.164 -6.976 1.00 0.00 C ATOM 361 O VAL A 28 6.539 0.519 -5.815 1.00 0.00 O ATOM 362 CB VAL A 28 3.933 0.801 -7.164 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.659 0.547 -7.956 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.631 0.917 -5.677 1.00 0.00 C ATOM 0 H VAL A 28 4.754 -1.538 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 28 4.984 -0.541 -8.485 1.00 0.00 H new ATOM 0 HB VAL A 28 4.359 1.746 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.945 1.347 -7.763 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.892 0.518 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.226 -0.407 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.902 1.711 -5.515 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.226 -0.027 -5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.548 1.150 -5.137 1.00 0.00 H new ATOM 374 N GLY A 29 7.285 0.174 -7.909 1.00 0.00 N ATOM 375 CA GLY A 29 8.632 0.613 -7.595 1.00 0.00 C ATOM 376 C GLY A 29 9.049 1.827 -8.403 1.00 0.00 C ATOM 377 O GLY A 29 8.369 2.211 -9.354 1.00 0.00 O ATOM 0 H GLY A 29 7.143 -0.114 -8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.696 0.848 -6.533 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.330 -0.203 -7.784 1.00 0.00 H new ATOM 381 N ALA A 30 10.169 2.432 -8.022 1.00 0.00 N ATOM 382 CA ALA A 30 10.676 3.609 -8.718 1.00 0.00 C ATOM 383 C ALA A 30 11.815 3.240 -9.662 1.00 0.00 C ATOM 384 O ALA A 30 12.776 2.571 -9.283 1.00 0.00 O ATOM 385 CB ALA A 30 11.137 4.656 -7.716 1.00 0.00 C ATOM 0 H ALA A 30 10.743 2.127 -7.236 1.00 0.00 H new ATOM 0 HA ALA A 30 9.865 4.025 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.513 5.529 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.298 4.950 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.931 4.241 -7.095 1.00 0.00 H new ATOM 391 N PRO A 31 11.707 3.685 -10.923 1.00 0.00 N ATOM 392 CA PRO A 31 12.719 3.413 -11.948 1.00 0.00 C ATOM 393 C PRO A 31 14.021 4.164 -11.690 1.00 0.00 C ATOM 394 O PRO A 31 15.107 3.593 -11.784 1.00 0.00 O ATOM 395 CB PRO A 31 12.061 3.910 -13.237 1.00 0.00 C ATOM 396 CG PRO A 31 11.084 4.942 -12.790 1.00 0.00 C ATOM 397 CD PRO A 31 10.589 4.488 -11.445 1.00 0.00 C ATOM 0 HA PRO A 31 12.999 2.360 -11.975 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.798 4.332 -13.920 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.564 3.097 -13.767 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.556 5.922 -12.722 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.261 5.033 -13.499 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.363 5.333 -10.794 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.676 3.898 -11.531 1.00 0.00 H new ATOM 405 N ALA A 32 13.904 5.448 -11.365 1.00 0.00 N ATOM 406 CA ALA A 32 15.072 6.276 -11.091 1.00 0.00 C ATOM 407 C ALA A 32 15.751 5.856 -9.793 1.00 0.00 C ATOM 408 O ALA A 32 16.890 5.387 -9.799 1.00 0.00 O ATOM 409 CB ALA A 32 14.675 7.744 -11.031 1.00 0.00 C ATOM 0 H ALA A 32 13.012 5.937 -11.285 1.00 0.00 H new ATOM 0 HA ALA A 32 15.785 6.136 -11.904 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.557 8.351 -10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.243 8.043 -11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.941 7.890 -10.238 1.00 0.00 H new ATOM 415 N CYS A 33 15.046 6.026 -8.679 1.00 0.00 N ATOM 416 CA CYS A 33 15.580 5.666 -7.372 1.00 0.00 C ATOM 417 C CYS A 33 15.838 4.165 -7.285 1.00 0.00 C ATOM 418 O CYS A 33 16.752 3.720 -6.591 1.00 0.00 O ATOM 419 CB CYS A 33 14.613 6.094 -6.266 1.00 0.00 C ATOM 420 SG CYS A 33 15.376 6.214 -4.616 1.00 0.00 S ATOM 0 H CYS A 33 14.102 6.412 -8.656 1.00 0.00 H new ATOM 0 HA CYS A 33 16.527 6.188 -7.238 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.184 7.061 -6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.789 5.381 -6.223 1.00 0.00 H new ATOM 0 HG CYS A 33 15.244 5.080 -3.994 1.00 0.00 H new ATOM 425 N GLY A 34 15.025 3.388 -7.995 1.00 0.00 N ATOM 426 CA GLY A 34 15.181 1.945 -7.984 1.00 0.00 C ATOM 427 C GLY A 34 14.676 1.317 -6.701 1.00 0.00 C ATOM 428 O GLY A 34 15.425 0.642 -5.995 1.00 0.00 O ATOM 0 H GLY A 34 14.262 3.732 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.643 1.518 -8.830 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.234 1.695 -8.117 1.00 0.00 H new ATOM 432 N ASP A 35 13.402 1.539 -6.397 1.00 0.00 N ATOM 433 CA ASP A 35 12.796 0.990 -5.189 1.00 0.00 C ATOM 434 C ASP A 35 11.750 -0.065 -5.537 1.00 0.00 C ATOM 435 O ASP A 35 11.240 -0.102 -6.656 1.00 0.00 O ATOM 436 CB ASP A 35 12.158 2.106 -4.360 1.00 0.00 C ATOM 437 CG ASP A 35 13.148 3.195 -3.996 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.367 2.956 -4.124 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.703 4.287 -3.585 1.00 0.00 O ATOM 0 H ASP A 35 12.768 2.096 -6.971 1.00 0.00 H new ATOM 0 HA ASP A 35 13.582 0.516 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.331 2.543 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.737 1.682 -3.448 1.00 0.00 H new ATOM 444 N VAL A 36 11.436 -0.921 -4.570 1.00 0.00 N ATOM 445 CA VAL A 36 10.451 -1.976 -4.773 1.00 0.00 C ATOM 446 C VAL A 36 9.491 -2.067 -3.592 1.00 0.00 C ATOM 447 O VAL A 36 9.808 -2.668 -2.566 1.00 0.00 O ATOM 448 CB VAL A 36 11.128 -3.344 -4.976 1.00 0.00 C ATOM 449 CG1 VAL A 36 10.085 -4.431 -5.185 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.096 -3.291 -6.148 1.00 0.00 C ATOM 0 H VAL A 36 11.850 -0.904 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 36 9.892 -1.718 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 36 11.695 -3.586 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.583 -5.390 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.435 -4.485 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.488 -4.198 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.565 -4.266 -6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.554 -3.026 -7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.864 -2.542 -5.952 1.00 0.00 H new ATOM 460 N MET A 37 8.316 -1.465 -3.744 1.00 0.00 N ATOM 461 CA MET A 37 7.308 -1.480 -2.690 1.00 0.00 C ATOM 462 C MET A 37 6.197 -2.473 -3.014 1.00 0.00 C ATOM 463 O MET A 37 5.404 -2.257 -3.931 1.00 0.00 O ATOM 464 CB MET A 37 6.718 -0.081 -2.500 1.00 0.00 C ATOM 465 CG MET A 37 5.983 0.094 -1.181 1.00 0.00 C ATOM 466 SD MET A 37 4.216 -0.234 -1.322 1.00 0.00 S ATOM 467 CE MET A 37 3.536 1.330 -0.774 1.00 0.00 C ATOM 0 H MET A 37 8.038 -0.961 -4.586 1.00 0.00 H new ATOM 0 HA MET A 37 7.791 -1.792 -1.764 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.521 0.654 -2.560 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.031 0.129 -3.320 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.415 -0.576 -0.437 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.132 1.111 -0.819 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.479 1.379 -1.035 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.647 1.416 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.068 2.148 -1.260 1.00 0.00 H new ATOM 477 N LYS A 38 6.145 -3.563 -2.256 1.00 0.00 N ATOM 478 CA LYS A 38 5.131 -4.591 -2.461 1.00 0.00 C ATOM 479 C LYS A 38 4.021 -4.475 -1.421 1.00 0.00 C ATOM 480 O LYS A 38 4.252 -4.674 -0.227 1.00 0.00 O ATOM 481 CB LYS A 38 5.764 -5.982 -2.395 1.00 0.00 C ATOM 482 CG LYS A 38 4.749 -7.111 -2.359 1.00 0.00 C ATOM 483 CD LYS A 38 4.029 -7.256 -3.690 1.00 0.00 C ATOM 484 CE LYS A 38 4.704 -8.288 -4.579 1.00 0.00 C ATOM 485 NZ LYS A 38 5.044 -9.530 -3.830 1.00 0.00 N ATOM 0 H LYS A 38 6.794 -3.758 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 38 4.695 -4.444 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.415 -6.117 -3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.395 -6.043 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.252 -8.046 -2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.022 -6.923 -1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.993 -7.547 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.008 -6.293 -4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.046 -8.535 -5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.612 -7.861 -5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.997 -10.347 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.006 -9.449 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.367 -9.662 -3.052 1.00 0.00 H new ATOM 499 N LEU A 39 2.817 -4.154 -1.880 1.00 0.00 N ATOM 500 CA LEU A 39 1.670 -4.014 -0.989 1.00 0.00 C ATOM 501 C LEU A 39 0.691 -5.169 -1.175 1.00 0.00 C ATOM 502 O LEU A 39 0.492 -5.652 -2.289 1.00 0.00 O ATOM 503 CB LEU A 39 0.961 -2.683 -1.244 1.00 0.00 C ATOM 504 CG LEU A 39 0.221 -2.078 -0.051 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.208 -1.524 0.965 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.738 -0.990 -0.513 1.00 0.00 C ATOM 0 H LEU A 39 2.609 -3.986 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 39 2.035 -4.034 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.700 -1.961 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.247 -2.824 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.359 -2.866 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.663 -1.098 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.854 -2.327 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.816 -0.750 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.256 -0.571 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.179 -0.203 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.467 -1.416 -1.202 1.00 0.00 H new ATOM 518 N GLN A 40 0.082 -5.604 -0.077 1.00 0.00 N ATOM 519 CA GLN A 40 -0.877 -6.701 -0.120 1.00 0.00 C ATOM 520 C GLN A 40 -1.935 -6.542 0.966 1.00 0.00 C ATOM 521 O GLN A 40 -1.614 -6.474 2.153 1.00 0.00 O ATOM 522 CB GLN A 40 -0.159 -8.042 0.043 1.00 0.00 C ATOM 523 CG GLN A 40 0.406 -8.592 -1.257 1.00 0.00 C ATOM 524 CD GLN A 40 1.085 -9.935 -1.076 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.069 -10.053 -0.345 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.563 -10.957 -1.744 1.00 0.00 N ATOM 0 H GLN A 40 0.236 -5.214 0.853 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.373 -6.678 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.652 -7.925 0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.855 -8.768 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.399 -8.691 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.122 -7.880 -1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.253 -10.814 -2.339 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.978 -11.885 -1.662 1.00 0.00 H new ATOM 535 N ILE A 41 -3.197 -6.484 0.553 1.00 0.00 N ATOM 536 CA ILE A 41 -4.301 -6.333 1.492 1.00 0.00 C ATOM 537 C ILE A 41 -5.305 -7.472 1.347 1.00 0.00 C ATOM 538 O ILE A 41 -5.710 -7.817 0.237 1.00 0.00 O ATOM 539 CB ILE A 41 -5.032 -4.992 1.292 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.706 -4.953 -0.081 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.059 -3.832 1.444 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.117 -5.497 -0.077 1.00 0.00 C ATOM 0 H ILE A 41 -3.480 -6.539 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.869 -6.356 2.493 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.803 -4.897 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.723 -3.924 -0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.106 -5.527 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.590 -2.891 1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.621 -3.853 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.268 -3.920 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.532 -5.438 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.105 -6.537 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.732 -4.909 0.604 1.00 0.00 H new ATOM 554 N GLN A 42 -5.703 -8.051 2.475 1.00 0.00 N ATOM 555 CA GLN A 42 -6.660 -9.150 2.473 1.00 0.00 C ATOM 556 C GLN A 42 -8.079 -8.637 2.699 1.00 0.00 C ATOM 557 O GLN A 42 -8.438 -8.240 3.807 1.00 0.00 O ATOM 558 CB GLN A 42 -6.298 -10.172 3.552 1.00 0.00 C ATOM 559 CG GLN A 42 -6.976 -11.520 3.366 1.00 0.00 C ATOM 560 CD GLN A 42 -6.880 -12.396 4.599 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.773 -12.394 5.448 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.795 -13.153 4.705 1.00 0.00 N ATOM 0 H GLN A 42 -5.377 -7.777 3.402 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.618 -9.632 1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.218 -10.316 3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.570 -9.769 4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.026 -11.363 3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.522 -12.037 2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.080 -13.124 3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.676 -13.764 5.513 1.00 0.00 H new ATOM 571 N VAL A 43 -8.882 -8.648 1.639 1.00 0.00 N ATOM 572 CA VAL A 43 -10.262 -8.184 1.722 1.00 0.00 C ATOM 573 C VAL A 43 -11.190 -9.301 2.185 1.00 0.00 C ATOM 574 O VAL A 43 -11.080 -10.441 1.734 1.00 0.00 O ATOM 575 CB VAL A 43 -10.757 -7.651 0.364 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.212 -7.218 0.458 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.880 -6.501 -0.108 1.00 0.00 C ATOM 0 H VAL A 43 -8.601 -8.973 0.714 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.281 -7.374 2.451 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.689 -8.455 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.544 -6.844 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.827 -8.070 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.309 -6.429 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.244 -6.137 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.914 -5.693 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.853 -6.848 -0.217 1.00 0.00 H new ATOM 587 N ASP A 44 -12.104 -8.966 3.089 1.00 0.00 N ATOM 588 CA ASP A 44 -13.054 -9.940 3.614 1.00 0.00 C ATOM 589 C ASP A 44 -14.308 -9.999 2.747 1.00 0.00 C ATOM 590 O ASP A 44 -14.391 -9.332 1.716 1.00 0.00 O ATOM 591 CB ASP A 44 -13.431 -9.592 5.055 1.00 0.00 C ATOM 592 CG ASP A 44 -13.906 -10.801 5.837 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.589 -11.936 5.425 1.00 0.00 O ATOM 594 OD2 ASP A 44 -14.593 -10.611 6.862 1.00 0.00 O ATOM 0 H ASP A 44 -12.207 -8.027 3.474 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.577 -10.920 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.569 -9.154 5.557 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.215 -8.835 5.050 1.00 0.00 H new ATOM 599 N GLU A 45 -15.278 -10.801 3.172 1.00 0.00 N ATOM 600 CA GLU A 45 -16.527 -10.947 2.433 1.00 0.00 C ATOM 601 C GLU A 45 -17.277 -9.620 2.364 1.00 0.00 C ATOM 602 O GLU A 45 -17.949 -9.324 1.376 1.00 0.00 O ATOM 603 CB GLU A 45 -17.410 -12.012 3.085 1.00 0.00 C ATOM 604 CG GLU A 45 -17.977 -11.592 4.431 1.00 0.00 C ATOM 605 CD GLU A 45 -19.062 -12.528 4.926 1.00 0.00 C ATOM 606 OE1 GLU A 45 -19.062 -13.707 4.511 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.911 -12.084 5.726 1.00 0.00 O ATOM 0 H GLU A 45 -15.224 -11.360 4.024 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.284 -11.260 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.233 -12.251 2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.829 -12.925 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.172 -11.556 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.382 -10.583 4.351 1.00 0.00 H new ATOM 614 N LYS A 46 -17.158 -8.825 3.422 1.00 0.00 N ATOM 615 CA LYS A 46 -17.823 -7.529 3.484 1.00 0.00 C ATOM 616 C LYS A 46 -17.131 -6.518 2.575 1.00 0.00 C ATOM 617 O LYS A 46 -17.741 -5.544 2.136 1.00 0.00 O ATOM 618 CB LYS A 46 -17.840 -7.009 4.923 1.00 0.00 C ATOM 619 CG LYS A 46 -18.596 -7.909 5.886 1.00 0.00 C ATOM 620 CD LYS A 46 -19.226 -7.112 7.016 1.00 0.00 C ATOM 621 CE LYS A 46 -20.018 -8.008 7.956 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.192 -7.388 9.298 1.00 0.00 N ATOM 0 H LYS A 46 -16.607 -9.056 4.249 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.849 -7.659 3.139 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.814 -6.898 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.291 -6.017 4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.372 -8.451 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.916 -8.653 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.447 -6.594 7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.883 -6.347 6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.996 -8.215 7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.507 -8.965 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.737 -8.030 9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.259 -7.214 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.702 -6.487 9.201 1.00 0.00 H new ATOM 636 N GLY A 47 -15.853 -6.757 2.297 1.00 0.00 N ATOM 637 CA GLY A 47 -15.100 -5.859 1.441 1.00 0.00 C ATOM 638 C GLY A 47 -14.242 -4.890 2.230 1.00 0.00 C ATOM 639 O GLY A 47 -13.852 -3.838 1.722 1.00 0.00 O ATOM 0 H GLY A 47 -15.326 -7.556 2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.465 -6.444 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.790 -5.298 0.811 1.00 0.00 H new ATOM 643 N LYS A 48 -13.947 -5.242 3.476 1.00 0.00 N ATOM 644 CA LYS A 48 -13.130 -4.396 4.338 1.00 0.00 C ATOM 645 C LYS A 48 -11.751 -5.011 4.554 1.00 0.00 C ATOM 646 O LYS A 48 -11.631 -6.193 4.876 1.00 0.00 O ATOM 647 CB LYS A 48 -13.823 -4.187 5.687 1.00 0.00 C ATOM 648 CG LYS A 48 -13.169 -3.120 6.547 1.00 0.00 C ATOM 649 CD LYS A 48 -12.098 -3.709 7.449 1.00 0.00 C ATOM 650 CE LYS A 48 -12.677 -4.165 8.779 1.00 0.00 C ATOM 651 NZ LYS A 48 -11.638 -4.765 9.661 1.00 0.00 N ATOM 0 H LYS A 48 -14.262 -6.109 3.912 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.006 -3.431 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.864 -3.914 5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.828 -5.130 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.727 -2.356 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.927 -2.627 7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.624 -4.554 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.320 -2.966 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.136 -3.316 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.467 -4.895 8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.999 -5.650 10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.783 -4.965 9.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.405 -4.099 10.425 1.00 0.00 H new ATOM 665 N ILE A 49 -10.713 -4.200 4.375 1.00 0.00 N ATOM 666 CA ILE A 49 -9.343 -4.664 4.553 1.00 0.00 C ATOM 667 C ILE A 49 -9.085 -5.078 5.998 1.00 0.00 C ATOM 668 O ILE A 49 -8.940 -4.233 6.881 1.00 0.00 O ATOM 669 CB ILE A 49 -8.325 -3.580 4.153 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.416 -3.293 2.653 1.00 0.00 C ATOM 671 CG2 ILE A 49 -6.915 -4.011 4.530 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.059 -1.869 2.287 1.00 0.00 C ATOM 0 H ILE A 49 -10.795 -3.219 4.107 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.217 -5.529 3.902 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.561 -2.664 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.752 -3.974 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.429 -3.504 2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.207 -3.234 4.241 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.859 -4.170 5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.667 -4.938 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.146 -1.738 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.739 -1.182 2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.035 -1.659 2.597 1.00 0.00 H new ATOM 684 N VAL A 50 -9.028 -6.386 6.232 1.00 0.00 N ATOM 685 CA VAL A 50 -8.785 -6.913 7.569 1.00 0.00 C ATOM 686 C VAL A 50 -7.292 -7.017 7.856 1.00 0.00 C ATOM 687 O VAL A 50 -6.852 -6.823 8.989 1.00 0.00 O ATOM 688 CB VAL A 50 -9.430 -8.300 7.751 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.946 -8.186 7.778 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.978 -9.246 6.648 1.00 0.00 C ATOM 0 H VAL A 50 -9.147 -7.099 5.513 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.239 -6.214 8.272 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.104 -8.710 8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.383 -9.176 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.248 -7.545 8.606 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.295 -7.755 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.443 -10.221 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.273 -8.843 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.894 -9.353 6.682 1.00 0.00 H new ATOM 700 N ASP A 51 -6.517 -7.324 6.822 1.00 0.00 N ATOM 701 CA ASP A 51 -5.071 -7.453 6.962 1.00 0.00 C ATOM 702 C ASP A 51 -4.350 -6.759 5.810 1.00 0.00 C ATOM 703 O ASP A 51 -4.872 -6.674 4.699 1.00 0.00 O ATOM 704 CB ASP A 51 -4.671 -8.928 7.016 1.00 0.00 C ATOM 705 CG ASP A 51 -3.344 -9.143 7.716 1.00 0.00 C ATOM 706 OD1 ASP A 51 -3.340 -9.250 8.961 1.00 0.00 O ATOM 707 OD2 ASP A 51 -2.309 -9.206 7.020 1.00 0.00 O ATOM 0 H ASP A 51 -6.866 -7.488 5.878 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.777 -6.971 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.447 -9.493 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.611 -9.323 6.002 1.00 0.00 H new ATOM 712 N ALA A 52 -3.147 -6.265 6.084 1.00 0.00 N ATOM 713 CA ALA A 52 -2.354 -5.580 5.071 1.00 0.00 C ATOM 714 C ALA A 52 -0.865 -5.659 5.393 1.00 0.00 C ATOM 715 O ALA A 52 -0.478 -5.805 6.552 1.00 0.00 O ATOM 716 CB ALA A 52 -2.793 -4.129 4.948 1.00 0.00 C ATOM 0 H ALA A 52 -2.700 -6.326 6.999 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.520 -6.080 4.117 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.192 -3.630 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.844 -4.090 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.658 -3.626 5.905 1.00 0.00 H new ATOM 722 N ARG A 53 -0.035 -5.561 4.360 1.00 0.00 N ATOM 723 CA ARG A 53 1.411 -5.623 4.533 1.00 0.00 C ATOM 724 C ARG A 53 2.115 -4.666 3.576 1.00 0.00 C ATOM 725 O ARG A 53 1.514 -4.170 2.623 1.00 0.00 O ATOM 726 CB ARG A 53 1.913 -7.050 4.305 1.00 0.00 C ATOM 727 CG ARG A 53 1.226 -8.085 5.180 1.00 0.00 C ATOM 728 CD ARG A 53 1.679 -7.980 6.628 1.00 0.00 C ATOM 729 NE ARG A 53 0.666 -8.474 7.557 1.00 0.00 N ATOM 730 CZ ARG A 53 0.491 -9.761 7.836 1.00 0.00 C ATOM 731 NH1 ARG A 53 1.257 -10.678 7.261 1.00 0.00 N ATOM 732 NH2 ARG A 53 -0.453 -10.132 8.692 1.00 0.00 N ATOM 0 H ARG A 53 -0.339 -5.438 3.394 1.00 0.00 H new ATOM 0 HA ARG A 53 1.642 -5.323 5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.764 -7.315 3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.986 -7.083 4.493 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.146 -7.950 5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.442 -9.084 4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.600 -8.547 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.908 -6.940 6.861 1.00 0.00 H new ATOM 0 HE ARG A 53 0.060 -7.794 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.983 -10.396 6.602 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.120 -11.665 7.477 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.044 -9.429 9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.587 -11.120 8.906 1.00 0.00 H new ATOM 746 N PHE A 54 3.393 -4.409 3.837 1.00 0.00 N ATOM 747 CA PHE A 54 4.179 -3.510 3.000 1.00 0.00 C ATOM 748 C PHE A 54 5.659 -3.876 3.050 1.00 0.00 C ATOM 749 O PHE A 54 6.237 -4.031 4.126 1.00 0.00 O ATOM 750 CB PHE A 54 3.985 -2.060 3.450 1.00 0.00 C ATOM 751 CG PHE A 54 4.977 -1.616 4.487 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.868 -2.047 5.799 1.00 0.00 C ATOM 753 CD2 PHE A 54 6.019 -0.768 4.149 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.780 -1.641 6.755 1.00 0.00 C ATOM 755 CE2 PHE A 54 6.934 -0.359 5.100 1.00 0.00 C ATOM 756 CZ PHE A 54 6.813 -0.795 6.405 1.00 0.00 C ATOM 0 H PHE A 54 3.906 -4.811 4.622 1.00 0.00 H new ATOM 0 HA PHE A 54 3.832 -3.614 1.972 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.061 -1.405 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.977 -1.944 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.061 -2.708 6.078 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.117 -0.423 3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.685 -1.985 7.774 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.743 0.301 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.526 -0.474 7.151 1.00 0.00 H new ATOM 766 N LYS A 55 6.268 -4.013 1.877 1.00 0.00 N ATOM 767 CA LYS A 55 7.681 -4.360 1.783 1.00 0.00 C ATOM 768 C LYS A 55 8.397 -3.461 0.780 1.00 0.00 C ATOM 769 O LYS A 55 8.344 -3.696 -0.428 1.00 0.00 O ATOM 770 CB LYS A 55 7.841 -5.826 1.375 1.00 0.00 C ATOM 771 CG LYS A 55 9.248 -6.362 1.574 1.00 0.00 C ATOM 772 CD LYS A 55 9.626 -6.406 3.045 1.00 0.00 C ATOM 773 CE LYS A 55 10.794 -7.349 3.293 1.00 0.00 C ATOM 774 NZ LYS A 55 11.087 -7.499 4.745 1.00 0.00 N ATOM 0 H LYS A 55 5.804 -3.889 0.977 1.00 0.00 H new ATOM 0 HA LYS A 55 8.132 -4.211 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.145 -6.433 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.565 -5.935 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.320 -7.363 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.957 -5.734 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.888 -5.404 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.766 -6.727 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.569 -8.326 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.680 -6.973 2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.889 -8.149 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.326 -6.571 5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.251 -7.882 5.230 1.00 0.00 H new ATOM 788 N THR A 56 9.067 -2.432 1.288 1.00 0.00 N ATOM 789 CA THR A 56 9.794 -1.498 0.436 1.00 0.00 C ATOM 790 C THR A 56 11.287 -1.804 0.435 1.00 0.00 C ATOM 791 O THR A 56 11.868 -2.119 1.474 1.00 0.00 O ATOM 792 CB THR A 56 9.580 -0.042 0.889 1.00 0.00 C ATOM 793 OG1 THR A 56 8.181 0.227 1.032 1.00 0.00 O ATOM 794 CG2 THR A 56 10.189 0.931 -0.110 1.00 0.00 C ATOM 0 H THR A 56 9.122 -2.224 2.285 1.00 0.00 H new ATOM 0 HA THR A 56 9.401 -1.618 -0.573 1.00 0.00 H new ATOM 0 HB THR A 56 10.075 0.092 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.024 0.704 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.025 1.953 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.259 0.744 -0.194 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.719 0.794 -1.084 1.00 0.00 H new ATOM 802 N PHE A 57 11.905 -1.708 -0.738 1.00 0.00 N ATOM 803 CA PHE A 57 13.332 -1.975 -0.875 1.00 0.00 C ATOM 804 C PHE A 57 14.038 -0.814 -1.568 1.00 0.00 C ATOM 805 O PHE A 57 13.889 -0.611 -2.772 1.00 0.00 O ATOM 806 CB PHE A 57 13.558 -3.267 -1.663 1.00 0.00 C ATOM 807 CG PHE A 57 12.968 -4.482 -1.004 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.554 -5.025 0.128 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.829 -5.080 -1.517 1.00 0.00 C ATOM 810 CE1 PHE A 57 13.014 -6.143 0.737 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.284 -6.197 -0.912 1.00 0.00 C ATOM 812 CZ PHE A 57 11.878 -6.730 0.215 1.00 0.00 C ATOM 0 H PHE A 57 11.440 -1.447 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 57 13.752 -2.089 0.124 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.126 -3.157 -2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.629 -3.420 -1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.443 -4.570 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.361 -4.669 -2.400 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.480 -6.556 1.619 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.394 -6.653 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.455 -7.604 0.687 1.00 0.00 H new ATOM 822 N GLY A 58 14.809 -0.052 -0.797 1.00 0.00 N ATOM 823 CA GLY A 58 15.527 1.080 -1.353 1.00 0.00 C ATOM 824 C GLY A 58 15.689 2.210 -0.355 1.00 0.00 C ATOM 825 O GLY A 58 16.051 1.981 0.800 1.00 0.00 O ATOM 0 H GLY A 58 14.949 -0.199 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.511 0.753 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.996 1.448 -2.231 1.00 0.00 H new ATOM 829 N CYS A 59 15.424 3.433 -0.800 1.00 0.00 N ATOM 830 CA CYS A 59 15.545 4.604 0.060 1.00 0.00 C ATOM 831 C CYS A 59 14.482 4.586 1.155 1.00 0.00 C ATOM 832 O CYS A 59 13.334 4.216 0.914 1.00 0.00 O ATOM 833 CB CYS A 59 15.420 5.885 -0.766 1.00 0.00 C ATOM 834 SG CYS A 59 13.702 6.415 -1.063 1.00 0.00 S ATOM 0 H CYS A 59 15.124 3.639 -1.753 1.00 0.00 H new ATOM 0 HA CYS A 59 16.528 4.578 0.531 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.953 6.687 -0.255 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.914 5.735 -1.726 1.00 0.00 H new ATOM 0 HG CYS A 59 13.188 5.704 -2.023 1.00 0.00 H new ATOM 839 N GLY A 60 14.874 4.990 2.360 1.00 0.00 N ATOM 840 CA GLY A 60 13.944 5.013 3.473 1.00 0.00 C ATOM 841 C GLY A 60 12.664 5.755 3.144 1.00 0.00 C ATOM 842 O GLY A 60 11.568 5.267 3.418 1.00 0.00 O ATOM 0 H GLY A 60 15.819 5.302 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.703 3.990 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.422 5.483 4.332 1.00 0.00 H new ATOM 846 N SER A 61 12.802 6.939 2.557 1.00 0.00 N ATOM 847 CA SER A 61 11.647 7.753 2.195 1.00 0.00 C ATOM 848 C SER A 61 10.505 6.878 1.687 1.00 0.00 C ATOM 849 O SER A 61 9.341 7.106 2.016 1.00 0.00 O ATOM 850 CB SER A 61 12.033 8.778 1.127 1.00 0.00 C ATOM 851 OG SER A 61 12.836 9.809 1.677 1.00 0.00 O ATOM 0 H SER A 61 13.702 7.357 2.322 1.00 0.00 H new ATOM 0 HA SER A 61 11.310 8.279 3.088 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.574 8.282 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.132 9.208 0.689 1.00 0.00 H new ATOM 0 HG SER A 61 12.282 10.599 1.849 1.00 0.00 H new ATOM 857 N ALA A 62 10.847 5.877 0.883 1.00 0.00 N ATOM 858 CA ALA A 62 9.851 4.967 0.330 1.00 0.00 C ATOM 859 C ALA A 62 9.286 4.051 1.410 1.00 0.00 C ATOM 860 O ALA A 62 8.090 3.755 1.422 1.00 0.00 O ATOM 861 CB ALA A 62 10.456 4.145 -0.799 1.00 0.00 C ATOM 0 H ALA A 62 11.806 5.675 0.600 1.00 0.00 H new ATOM 0 HA ALA A 62 9.031 5.564 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.701 3.470 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.805 4.812 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.295 3.564 -0.417 1.00 0.00 H new ATOM 867 N ILE A 63 10.152 3.604 2.313 1.00 0.00 N ATOM 868 CA ILE A 63 9.737 2.722 3.397 1.00 0.00 C ATOM 869 C ILE A 63 8.716 3.404 4.301 1.00 0.00 C ATOM 870 O ILE A 63 7.733 2.791 4.717 1.00 0.00 O ATOM 871 CB ILE A 63 10.940 2.272 4.248 1.00 0.00 C ATOM 872 CG1 ILE A 63 11.929 1.478 3.392 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.469 1.441 5.432 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.262 1.245 4.069 1.00 0.00 C ATOM 0 H ILE A 63 11.145 3.838 2.316 1.00 0.00 H new ATOM 0 HA ILE A 63 9.281 1.847 2.934 1.00 0.00 H new ATOM 0 HB ILE A 63 11.448 3.157 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.486 0.515 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.094 2.009 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.330 1.130 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.799 2.037 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.940 0.559 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 63 13.913 0.676 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.726 2.204 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.108 0.686 4.992 1.00 0.00 H new ATOM 886 N ALA A 64 8.955 4.676 4.601 1.00 0.00 N ATOM 887 CA ALA A 64 8.055 5.443 5.452 1.00 0.00 C ATOM 888 C ALA A 64 6.685 5.603 4.800 1.00 0.00 C ATOM 889 O ALA A 64 5.701 5.018 5.252 1.00 0.00 O ATOM 890 CB ALA A 64 8.655 6.806 5.763 1.00 0.00 C ATOM 0 H ALA A 64 9.765 5.197 4.267 1.00 0.00 H new ATOM 0 HA ALA A 64 7.923 4.895 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.971 7.368 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.607 6.676 6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.818 7.353 4.834 1.00 0.00 H new ATOM 896 N SER A 65 6.630 6.398 3.737 1.00 0.00 N ATOM 897 CA SER A 65 5.380 6.637 3.025 1.00 0.00 C ATOM 898 C SER A 65 4.530 5.372 2.980 1.00 0.00 C ATOM 899 O SER A 65 3.314 5.420 3.166 1.00 0.00 O ATOM 900 CB SER A 65 5.664 7.126 1.603 1.00 0.00 C ATOM 901 OG SER A 65 5.750 8.540 1.558 1.00 0.00 O ATOM 0 H SER A 65 7.436 6.888 3.349 1.00 0.00 H new ATOM 0 HA SER A 65 4.826 7.407 3.562 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.597 6.690 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.875 6.785 0.933 1.00 0.00 H new ATOM 0 HG SER A 65 5.934 8.827 0.639 1.00 0.00 H new ATOM 907 N SER A 66 5.179 4.239 2.731 1.00 0.00 N ATOM 908 CA SER A 66 4.483 2.959 2.658 1.00 0.00 C ATOM 909 C SER A 66 4.006 2.520 4.039 1.00 0.00 C ATOM 910 O SER A 66 2.805 2.418 4.289 1.00 0.00 O ATOM 911 CB SER A 66 5.398 1.890 2.058 1.00 0.00 C ATOM 912 OG SER A 66 6.595 1.765 2.807 1.00 0.00 O ATOM 0 H SER A 66 6.186 4.181 2.576 1.00 0.00 H new ATOM 0 HA SER A 66 3.612 3.084 2.015 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.878 0.932 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.636 2.148 1.026 1.00 0.00 H new ATOM 0 HG SER A 66 6.472 1.094 3.510 1.00 0.00 H new ATOM 918 N SER A 67 4.956 2.260 4.931 1.00 0.00 N ATOM 919 CA SER A 67 4.635 1.828 6.286 1.00 0.00 C ATOM 920 C SER A 67 3.418 2.577 6.821 1.00 0.00 C ATOM 921 O SER A 67 2.585 2.007 7.528 1.00 0.00 O ATOM 922 CB SER A 67 5.832 2.050 7.212 1.00 0.00 C ATOM 923 OG SER A 67 6.101 3.432 7.376 1.00 0.00 O ATOM 0 H SER A 67 5.955 2.341 4.740 1.00 0.00 H new ATOM 0 HA SER A 67 4.401 0.764 6.256 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.633 1.597 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.710 1.552 6.802 1.00 0.00 H new ATOM 0 HG SER A 67 6.059 3.879 6.505 1.00 0.00 H new ATOM 929 N LEU A 68 3.321 3.857 6.479 1.00 0.00 N ATOM 930 CA LEU A 68 2.206 4.686 6.924 1.00 0.00 C ATOM 931 C LEU A 68 0.965 4.431 6.074 1.00 0.00 C ATOM 932 O LEU A 68 -0.158 4.457 6.576 1.00 0.00 O ATOM 933 CB LEU A 68 2.588 6.166 6.858 1.00 0.00 C ATOM 934 CG LEU A 68 1.433 7.162 6.971 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.931 8.499 7.496 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.747 7.338 5.624 1.00 0.00 C ATOM 0 H LEU A 68 4.001 4.344 5.895 1.00 0.00 H new ATOM 0 HA LEU A 68 1.977 4.421 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.300 6.373 7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.106 6.346 5.916 1.00 0.00 H new ATOM 0 HG LEU A 68 0.704 6.766 7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.095 9.195 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.376 8.360 8.481 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.680 8.902 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.072 8.050 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.466 7.712 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.355 6.378 5.287 1.00 0.00 H new ATOM 948 N ALA A 69 1.177 4.182 4.786 1.00 0.00 N ATOM 949 CA ALA A 69 0.076 3.918 3.868 1.00 0.00 C ATOM 950 C ALA A 69 -0.610 2.596 4.199 1.00 0.00 C ATOM 951 O ALA A 69 -1.817 2.555 4.441 1.00 0.00 O ATOM 952 CB ALA A 69 0.577 3.908 2.431 1.00 0.00 C ATOM 0 H ALA A 69 2.101 4.158 4.355 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.657 4.717 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.256 3.710 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.015 4.877 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.332 3.130 2.314 1.00 0.00 H new ATOM 958 N THR A 70 0.167 1.517 4.209 1.00 0.00 N ATOM 959 CA THR A 70 -0.366 0.195 4.509 1.00 0.00 C ATOM 960 C THR A 70 -1.169 0.206 5.805 1.00 0.00 C ATOM 961 O THR A 70 -2.059 -0.620 6.001 1.00 0.00 O ATOM 962 CB THR A 70 0.758 -0.852 4.623 1.00 0.00 C ATOM 963 OG1 THR A 70 0.200 -2.170 4.648 1.00 0.00 O ATOM 964 CG2 THR A 70 1.585 -0.622 5.879 1.00 0.00 C ATOM 0 H THR A 70 1.168 1.534 4.013 1.00 0.00 H new ATOM 0 HA THR A 70 -1.022 -0.076 3.681 1.00 0.00 H new ATOM 0 HB THR A 70 1.409 -0.751 3.754 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.781 -2.761 5.171 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.373 -1.373 5.939 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.033 0.371 5.843 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.943 -0.699 6.757 1.00 0.00 H new ATOM 972 N GLU A 71 -0.847 1.147 6.687 1.00 0.00 N ATOM 973 CA GLU A 71 -1.539 1.265 7.965 1.00 0.00 C ATOM 974 C GLU A 71 -2.847 2.033 7.806 1.00 0.00 C ATOM 975 O GLU A 71 -3.792 1.835 8.570 1.00 0.00 O ATOM 976 CB GLU A 71 -0.645 1.964 8.991 1.00 0.00 C ATOM 977 CG GLU A 71 -1.391 2.429 10.231 1.00 0.00 C ATOM 978 CD GLU A 71 -2.076 1.290 10.961 1.00 0.00 C ATOM 979 OE1 GLU A 71 -1.503 0.182 11.003 1.00 0.00 O ATOM 980 OE2 GLU A 71 -3.186 1.509 11.491 1.00 0.00 O ATOM 0 H GLU A 71 -0.112 1.838 6.540 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.769 0.260 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.152 1.283 9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.169 2.824 8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.692 2.921 10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.135 3.172 9.945 1.00 0.00 H new ATOM 987 N TRP A 72 -2.894 2.910 6.810 1.00 0.00 N ATOM 988 CA TRP A 72 -4.086 3.710 6.551 1.00 0.00 C ATOM 989 C TRP A 72 -5.183 2.862 5.917 1.00 0.00 C ATOM 990 O TRP A 72 -6.363 3.206 5.982 1.00 0.00 O ATOM 991 CB TRP A 72 -3.746 4.890 5.640 1.00 0.00 C ATOM 992 CG TRP A 72 -3.146 6.052 6.373 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.795 6.096 7.692 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.828 7.337 5.828 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.278 7.332 8.000 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.287 8.111 6.873 1.00 0.00 C ATOM 997 CE3 TRP A 72 -2.946 7.909 4.558 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.867 9.425 6.686 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.529 9.214 4.374 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.994 9.960 5.433 1.00 0.00 C ATOM 0 H TRP A 72 -2.121 3.085 6.168 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.452 4.091 7.505 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.050 4.557 4.870 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.652 5.219 5.130 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.907 5.280 8.390 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.942 7.622 8.918 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.356 7.342 3.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.455 10.002 7.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.617 9.667 3.397 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.676 10.977 5.257 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.786 1.751 5.303 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.737 0.853 4.658 1.00 0.00 C ATOM 1013 C VAL A 73 -6.357 -0.107 5.666 1.00 0.00 C ATOM 1014 O VAL A 73 -7.469 -0.598 5.470 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.066 0.040 3.535 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.429 0.967 2.511 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.035 -0.917 4.114 1.00 0.00 C ATOM 0 H VAL A 73 -3.813 1.452 5.239 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.520 1.477 4.227 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.832 -0.549 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.960 0.374 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.195 1.607 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.675 1.585 2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.571 -1.483 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.271 -0.350 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.524 -1.604 4.805 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.630 -0.373 6.746 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.108 -1.274 7.788 1.00 0.00 C ATOM 1029 C LYS A 74 -7.297 -0.669 8.527 1.00 0.00 C ATOM 1030 O LYS A 74 -7.181 0.383 9.154 1.00 0.00 O ATOM 1031 CB LYS A 74 -4.983 -1.584 8.778 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.779 -2.256 8.140 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.600 -2.313 9.097 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.314 -2.685 8.375 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.114 -2.131 9.061 1.00 0.00 N ATOM 0 H LYS A 74 -4.707 0.023 6.923 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.431 -2.200 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.662 -0.657 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.372 -2.228 9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.047 -3.266 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.492 -1.712 7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.478 -1.346 9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.802 -3.042 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.231 -3.770 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.351 -2.313 7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.742 -2.406 8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.181 -1.094 9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.064 -2.506 10.030 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.441 -1.342 8.450 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.634 -0.856 9.118 1.00 0.00 C ATOM 1051 C GLY A 75 -10.629 -0.242 8.153 1.00 0.00 C ATOM 1052 O GLY A 75 -11.830 -0.211 8.422 1.00 0.00 O ATOM 0 H GLY A 75 -8.563 -2.215 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.110 -1.680 9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.352 -0.114 9.865 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.129 0.251 7.025 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.981 0.869 6.015 1.00 0.00 C ATOM 1058 C LYS A 76 -11.326 -0.126 4.911 1.00 0.00 C ATOM 1059 O LYS A 76 -10.806 -1.242 4.883 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.289 2.094 5.414 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.706 3.035 6.454 1.00 0.00 C ATOM 1062 CD LYS A 76 -9.196 4.319 5.822 1.00 0.00 C ATOM 1063 CE LYS A 76 -8.840 5.356 6.875 1.00 0.00 C ATOM 1064 NZ LYS A 76 -10.054 5.990 7.461 1.00 0.00 N ATOM 0 H LYS A 76 -9.137 0.235 6.787 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.906 1.183 6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.491 1.761 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.006 2.642 4.802 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.466 3.272 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.890 2.538 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.319 4.102 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.956 4.724 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.258 4.885 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.208 6.124 6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.770 6.761 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.648 6.373 6.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.593 5.279 7.995 1.00 0.00 H new ATOM 1078 N THR A 77 -12.204 0.286 4.003 1.00 0.00 N ATOM 1079 CA THR A 77 -12.617 -0.569 2.897 1.00 0.00 C ATOM 1080 C THR A 77 -11.928 -0.162 1.600 1.00 0.00 C ATOM 1081 O THR A 77 -11.468 0.971 1.459 1.00 0.00 O ATOM 1082 CB THR A 77 -14.143 -0.522 2.690 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.548 0.803 2.328 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.874 -0.953 3.953 1.00 0.00 C ATOM 0 H THR A 77 -12.643 1.207 4.011 1.00 0.00 H new ATOM 0 HA THR A 77 -12.324 -1.586 3.158 1.00 0.00 H new ATOM 0 HB THR A 77 -14.400 -1.212 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.519 0.824 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.950 -0.912 3.783 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.586 -1.972 4.210 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.610 -0.284 4.772 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.860 -1.093 0.653 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.228 -0.830 -0.634 1.00 0.00 C ATOM 1094 C VAL A 78 -11.653 0.525 -1.189 1.00 0.00 C ATOM 1095 O VAL A 78 -10.823 1.303 -1.656 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.572 -1.924 -1.662 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.061 -3.278 -1.192 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.072 -1.968 -1.911 1.00 0.00 C ATOM 0 H VAL A 78 -12.235 -2.036 0.753 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.151 -0.828 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.078 -1.683 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.313 -4.039 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.979 -3.236 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.525 -3.531 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.297 -2.747 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.590 -2.185 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.405 -1.004 -2.295 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.953 0.800 -1.132 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.488 2.061 -1.630 1.00 0.00 C ATOM 1110 C GLU A 79 -12.823 3.246 -0.935 1.00 0.00 C ATOM 1111 O GLU A 79 -12.418 4.211 -1.583 1.00 0.00 O ATOM 1112 CB GLU A 79 -15.002 2.117 -1.419 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.748 0.955 -2.053 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.195 0.877 -1.606 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -18.001 1.720 -2.052 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.521 -0.029 -0.811 1.00 0.00 O ATOM 0 H GLU A 79 -13.654 0.167 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.275 2.121 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.211 2.132 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.384 3.051 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.712 1.053 -3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.243 0.023 -1.800 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.716 3.165 0.388 1.00 0.00 N ATOM 1124 CA GLU A 80 -12.101 4.231 1.170 1.00 0.00 C ATOM 1125 C GLU A 80 -10.649 4.444 0.754 1.00 0.00 C ATOM 1126 O GLU A 80 -10.224 5.570 0.496 1.00 0.00 O ATOM 1127 CB GLU A 80 -12.173 3.905 2.663 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.589 3.697 3.173 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.391 4.984 3.208 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -14.265 5.735 4.197 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.145 5.238 2.245 1.00 0.00 O ATOM 0 H GLU A 80 -13.047 2.373 0.940 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.653 5.151 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.590 3.005 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.708 4.715 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.098 2.973 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.551 3.269 4.175 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.892 3.353 0.692 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.487 3.419 0.306 1.00 0.00 C ATOM 1140 C ALA A 81 -8.318 4.137 -1.029 1.00 0.00 C ATOM 1141 O ALA A 81 -7.401 4.941 -1.200 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.894 2.020 0.235 1.00 0.00 C ATOM 0 H ALA A 81 -10.228 2.413 0.904 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.953 3.990 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.845 2.084 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.973 1.541 1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.439 1.431 -0.503 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.206 3.841 -1.971 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.154 4.458 -3.292 1.00 0.00 C ATOM 1150 C LEU A 82 -9.149 5.979 -3.183 1.00 0.00 C ATOM 1151 O LEU A 82 -8.532 6.669 -3.994 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.343 3.999 -4.138 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.113 2.759 -5.003 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -9.021 3.019 -6.028 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.759 1.561 -4.134 1.00 0.00 C ATOM 0 H LEU A 82 -9.971 3.178 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.229 4.144 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.183 3.802 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.639 4.822 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.037 2.534 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.871 2.126 -6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.315 3.849 -6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.092 3.269 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.599 0.688 -4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.849 1.775 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.575 1.361 -3.440 1.00 0.00 H new ATOM 1167 N THR A 83 -9.841 6.497 -2.172 1.00 0.00 N ATOM 1168 CA THR A 83 -9.917 7.936 -1.956 1.00 0.00 C ATOM 1169 C THR A 83 -8.594 8.483 -1.430 1.00 0.00 C ATOM 1170 O THR A 83 -8.258 9.645 -1.659 1.00 0.00 O ATOM 1171 CB THR A 83 -11.039 8.297 -0.964 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.625 8.000 0.374 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.314 7.532 -1.288 1.00 0.00 C ATOM 0 H THR A 83 -10.357 5.940 -1.490 1.00 0.00 H new ATOM 0 HA THR A 83 -10.137 8.390 -2.922 1.00 0.00 H new ATOM 0 HB THR A 83 -11.242 9.364 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.793 7.054 0.566 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.092 7.803 -0.574 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.643 7.783 -2.296 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.122 6.461 -1.226 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.849 7.638 -0.725 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.562 8.038 -0.169 1.00 0.00 C ATOM 1183 C ILE A 84 -5.655 8.622 -1.246 1.00 0.00 C ATOM 1184 O ILE A 84 -5.281 7.936 -2.198 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.846 6.851 0.502 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.662 6.340 1.691 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.449 7.257 0.946 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -6.065 5.118 2.353 1.00 0.00 C ATOM 0 H ILE A 84 -8.114 6.673 -0.526 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.766 8.801 0.582 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.754 6.044 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.751 7.137 2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.671 6.104 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.956 6.407 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.870 7.577 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.518 8.079 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.696 4.811 3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.002 4.306 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.067 5.355 2.721 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.302 9.893 -1.089 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.435 10.570 -2.046 1.00 0.00 C ATOM 1202 C LYS A 85 -2.991 10.588 -1.555 1.00 0.00 C ATOM 1203 O LYS A 85 -2.723 10.350 -0.378 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.922 12.002 -2.282 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.342 12.082 -2.815 1.00 0.00 C ATOM 1206 CD LYS A 85 -7.354 12.200 -1.689 1.00 0.00 C ATOM 1207 CE LYS A 85 -7.522 13.644 -1.240 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.220 13.739 0.072 1.00 0.00 N ATOM 0 H LYS A 85 -5.603 10.475 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.474 10.019 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.863 12.556 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.251 12.494 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.434 12.941 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.559 11.194 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.315 11.806 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.033 11.590 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.543 14.117 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.086 14.195 -1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.315 14.739 0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.164 13.310 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.669 13.235 0.796 1.00 0.00 H new ATOM 1222 N ASN A 86 -2.064 10.872 -2.465 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.647 10.921 -2.123 1.00 0.00 C ATOM 1224 C ASN A 86 -0.296 12.243 -1.447 1.00 0.00 C ATOM 1225 O ASN A 86 0.479 12.278 -0.491 1.00 0.00 O ATOM 1226 CB ASN A 86 0.208 10.734 -3.378 1.00 0.00 C ATOM 1227 CG ASN A 86 -0.019 11.831 -4.401 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -1.072 11.896 -5.035 1.00 0.00 O ATOM 1229 ND2 ASN A 86 0.972 12.700 -4.565 1.00 0.00 N ATOM 0 H ASN A 86 -2.269 11.072 -3.444 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.439 10.110 -1.425 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.261 10.715 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.019 9.768 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.878 13.460 -5.239 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.827 12.607 -4.017 1.00 0.00 H new ATOM 1236 N THR A 87 -0.873 13.330 -1.950 1.00 0.00 N ATOM 1237 CA THR A 87 -0.621 14.654 -1.396 1.00 0.00 C ATOM 1238 C THR A 87 -0.632 14.624 0.128 1.00 0.00 C ATOM 1239 O THR A 87 0.275 15.147 0.775 1.00 0.00 O ATOM 1240 CB THR A 87 -1.666 15.676 -1.885 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.948 15.371 -1.325 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.756 15.673 -3.404 1.00 0.00 C ATOM 0 H THR A 87 -1.518 13.319 -2.740 1.00 0.00 H new ATOM 0 HA THR A 87 0.366 14.959 -1.744 1.00 0.00 H new ATOM 0 HB THR A 87 -1.354 16.668 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.606 16.026 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.500 16.402 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.786 15.934 -3.826 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.047 14.681 -3.749 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.663 14.007 0.696 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.790 13.907 2.145 1.00 0.00 C ATOM 1252 C ASP A 88 -0.596 13.172 2.746 1.00 0.00 C ATOM 1253 O ASP A 88 -0.042 13.595 3.761 1.00 0.00 O ATOM 1254 CB ASP A 88 -3.087 13.186 2.515 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.284 14.117 2.526 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.319 15.048 1.695 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -5.186 13.914 3.367 1.00 0.00 O ATOM 0 H ASP A 88 -2.422 13.569 0.175 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.815 14.917 2.554 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.265 12.378 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.977 12.728 3.498 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.206 12.071 2.113 1.00 0.00 N ATOM 1263 CA ILE A 89 0.922 11.278 2.585 1.00 0.00 C ATOM 1264 C ILE A 89 2.201 12.109 2.623 1.00 0.00 C ATOM 1265 O ILE A 89 2.720 12.418 3.695 1.00 0.00 O ATOM 1266 CB ILE A 89 1.153 10.042 1.697 1.00 0.00 C ATOM 1267 CG1 ILE A 89 -0.126 9.207 1.604 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.300 9.204 2.242 1.00 0.00 C ATOM 1269 CD1 ILE A 89 -0.081 8.150 0.523 1.00 0.00 C ATOM 0 H ILE A 89 -0.655 11.708 1.272 1.00 0.00 H new ATOM 0 HA ILE A 89 0.675 10.949 3.594 1.00 0.00 H new ATOM 0 HB ILE A 89 1.419 10.378 0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.306 8.725 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.970 9.870 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.451 8.334 1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.211 9.802 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.061 8.875 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.020 7.597 0.515 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.068 8.627 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.742 7.463 0.720 1.00 0.00 H new ATOM 1281 N ALA A 90 2.701 12.469 1.446 1.00 0.00 N ATOM 1282 CA ALA A 90 3.916 13.267 1.344 1.00 0.00 C ATOM 1283 C ALA A 90 3.993 14.295 2.468 1.00 0.00 C ATOM 1284 O ALA A 90 5.050 14.497 3.067 1.00 0.00 O ATOM 1285 CB ALA A 90 3.983 13.957 -0.010 1.00 0.00 C ATOM 0 H ALA A 90 2.283 12.220 0.549 1.00 0.00 H new ATOM 0 HA ALA A 90 4.770 12.597 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.896 14.549 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.983 13.207 -0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.118 14.610 -0.129 1.00 0.00 H new ATOM 1291 N LYS A 91 2.868 14.944 2.748 1.00 0.00 N ATOM 1292 CA LYS A 91 2.807 15.951 3.801 1.00 0.00 C ATOM 1293 C LYS A 91 2.948 15.309 5.177 1.00 0.00 C ATOM 1294 O LYS A 91 3.667 15.816 6.037 1.00 0.00 O ATOM 1295 CB LYS A 91 1.489 16.724 3.719 1.00 0.00 C ATOM 1296 CG LYS A 91 1.432 17.928 4.644 1.00 0.00 C ATOM 1297 CD LYS A 91 0.524 19.014 4.091 1.00 0.00 C ATOM 1298 CE LYS A 91 0.262 20.100 5.122 1.00 0.00 C ATOM 1299 NZ LYS A 91 -0.283 21.337 4.498 1.00 0.00 N ATOM 0 H LYS A 91 1.986 14.791 2.260 1.00 0.00 H new ATOM 0 HA LYS A 91 3.637 16.643 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.336 17.057 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.667 16.051 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.073 17.617 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.436 18.328 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.980 19.455 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.422 18.573 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.441 19.730 5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.189 20.335 5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.448 22.053 5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.398 21.705 3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.180 21.118 4.020 1.00 0.00 H new ATOM 1313 N GLU A 92 2.256 14.191 5.377 1.00 0.00 N ATOM 1314 CA GLU A 92 2.306 13.481 6.650 1.00 0.00 C ATOM 1315 C GLU A 92 3.739 13.096 7.003 1.00 0.00 C ATOM 1316 O GLU A 92 4.161 13.215 8.154 1.00 0.00 O ATOM 1317 CB GLU A 92 1.428 12.228 6.594 1.00 0.00 C ATOM 1318 CG GLU A 92 0.966 11.748 7.960 1.00 0.00 C ATOM 1319 CD GLU A 92 0.227 12.821 8.736 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.883 13.202 8.310 1.00 0.00 O ATOM 1321 OE2 GLU A 92 0.759 13.280 9.769 1.00 0.00 O ATOM 0 H GLU A 92 1.655 13.758 4.675 1.00 0.00 H new ATOM 0 HA GLU A 92 1.927 14.148 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.554 12.434 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.983 11.427 6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.316 10.882 7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.830 11.418 8.536 1.00 0.00 H new ATOM 1328 N LEU A 93 4.484 12.633 6.005 1.00 0.00 N ATOM 1329 CA LEU A 93 5.871 12.229 6.208 1.00 0.00 C ATOM 1330 C LEU A 93 6.805 13.432 6.135 1.00 0.00 C ATOM 1331 O LEU A 93 7.940 13.380 6.610 1.00 0.00 O ATOM 1332 CB LEU A 93 6.278 11.188 5.164 1.00 0.00 C ATOM 1333 CG LEU A 93 5.624 9.812 5.296 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.427 9.454 6.761 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.296 9.780 4.554 1.00 0.00 C ATOM 0 H LEU A 93 4.151 12.528 5.047 1.00 0.00 H new ATOM 0 HA LEU A 93 5.953 11.789 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.046 11.585 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.359 11.060 5.211 1.00 0.00 H new ATOM 0 HG LEU A 93 6.286 9.071 4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.960 8.472 6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.394 9.436 7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.785 10.197 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.845 8.793 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.627 10.532 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.464 9.992 3.498 1.00 0.00 H new ATOM 1347 N CYS A 94 6.319 14.515 5.538 1.00 0.00 N ATOM 1348 CA CYS A 94 7.110 15.734 5.404 1.00 0.00 C ATOM 1349 C CYS A 94 8.402 15.461 4.640 1.00 0.00 C ATOM 1350 O CYS A 94 9.472 15.943 5.016 1.00 0.00 O ATOM 1351 CB CYS A 94 7.431 16.313 6.782 1.00 0.00 C ATOM 1352 SG CYS A 94 6.027 17.113 7.592 1.00 0.00 S ATOM 0 H CYS A 94 5.382 14.574 5.139 1.00 0.00 H new ATOM 0 HA CYS A 94 6.522 16.460 4.842 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.799 15.513 7.424 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.239 17.037 6.681 1.00 0.00 H new ATOM 0 HG CYS A 94 4.919 16.687 7.061 1.00 0.00 H new ATOM 1358 N LEU A 95 8.296 14.686 3.566 1.00 0.00 N ATOM 1359 CA LEU A 95 9.456 14.348 2.749 1.00 0.00 C ATOM 1360 C LEU A 95 9.783 15.474 1.774 1.00 0.00 C ATOM 1361 O LEU A 95 8.915 16.248 1.368 1.00 0.00 O ATOM 1362 CB LEU A 95 9.203 13.050 1.980 1.00 0.00 C ATOM 1363 CG LEU A 95 8.036 13.072 0.993 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.516 13.478 -0.392 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.351 11.714 0.945 1.00 0.00 C ATOM 0 H LEU A 95 7.419 14.280 3.241 1.00 0.00 H new ATOM 0 HA LEU A 95 10.309 14.209 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.110 12.792 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.028 12.252 2.701 1.00 0.00 H new ATOM 0 HG LEU A 95 7.311 13.810 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.672 13.488 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.959 14.473 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.262 12.764 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.523 11.749 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.067 10.956 0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.971 11.463 1.935 1.00 0.00 H new ATOM 1377 N PRO A 96 11.064 15.570 1.387 1.00 0.00 N ATOM 1378 CA PRO A 96 11.534 16.597 0.452 1.00 0.00 C ATOM 1379 C PRO A 96 11.020 16.369 -0.965 1.00 0.00 C ATOM 1380 O PRO A 96 10.444 15.329 -1.283 1.00 0.00 O ATOM 1381 CB PRO A 96 13.057 16.449 0.499 1.00 0.00 C ATOM 1382 CG PRO A 96 13.287 15.036 0.912 1.00 0.00 C ATOM 1383 CD PRO A 96 12.151 14.682 1.831 1.00 0.00 C ATOM 0 HA PRO A 96 11.180 17.591 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.505 16.655 -0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.501 17.146 1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.308 14.375 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.246 14.929 1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.874 13.632 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.410 14.855 2.875 1.00 0.00 H new ATOM 1391 N PRO A 97 11.232 17.365 -1.839 1.00 0.00 N ATOM 1392 CA PRO A 97 10.798 17.296 -3.238 1.00 0.00 C ATOM 1393 C PRO A 97 11.604 16.284 -4.045 1.00 0.00 C ATOM 1394 O PRO A 97 11.217 15.908 -5.152 1.00 0.00 O ATOM 1395 CB PRO A 97 11.048 18.714 -3.756 1.00 0.00 C ATOM 1396 CG PRO A 97 12.127 19.253 -2.882 1.00 0.00 C ATOM 1397 CD PRO A 97 11.911 18.634 -1.529 1.00 0.00 C ATOM 0 HA PRO A 97 9.762 16.971 -3.329 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.354 18.705 -4.802 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.146 19.323 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.111 18.999 -3.275 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.077 20.340 -2.826 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.854 18.468 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.300 19.271 -0.889 1.00 0.00 H new ATOM 1405 N VAL A 98 12.726 15.845 -3.484 1.00 0.00 N ATOM 1406 CA VAL A 98 13.586 14.875 -4.152 1.00 0.00 C ATOM 1407 C VAL A 98 13.073 13.454 -3.948 1.00 0.00 C ATOM 1408 O VAL A 98 13.229 12.595 -4.816 1.00 0.00 O ATOM 1409 CB VAL A 98 15.036 14.964 -3.640 1.00 0.00 C ATOM 1410 CG1 VAL A 98 15.095 14.668 -2.149 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.934 14.013 -4.416 1.00 0.00 C ATOM 0 H VAL A 98 13.061 16.146 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 98 13.569 15.116 -5.215 1.00 0.00 H new ATOM 0 HB VAL A 98 15.397 15.980 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 98 16.127 14.736 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.485 15.393 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.715 13.663 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.955 14.089 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.576 12.991 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.915 14.276 -5.474 1.00 0.00 H new ATOM 1421 N LYS A 99 12.458 13.213 -2.795 1.00 0.00 N ATOM 1422 CA LYS A 99 11.919 11.896 -2.476 1.00 0.00 C ATOM 1423 C LYS A 99 10.425 11.832 -2.778 1.00 0.00 C ATOM 1424 O LYS A 99 9.686 11.074 -2.149 1.00 0.00 O ATOM 1425 CB LYS A 99 12.167 11.564 -1.003 1.00 0.00 C ATOM 1426 CG LYS A 99 13.618 11.718 -0.581 1.00 0.00 C ATOM 1427 CD LYS A 99 14.507 10.688 -1.258 1.00 0.00 C ATOM 1428 CE LYS A 99 15.978 11.060 -1.142 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.854 9.856 -1.121 1.00 0.00 N ATOM 0 H LYS A 99 12.320 13.913 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 99 12.430 11.161 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.547 12.212 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.848 10.539 -0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.966 12.720 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.696 11.613 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.341 9.710 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.233 10.604 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.258 11.699 -1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.135 11.640 -0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.848 10.151 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.604 9.259 -0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.723 9.316 -2.000 1.00 0.00 H new ATOM 1443 N LEU A 100 9.987 12.631 -3.745 1.00 0.00 N ATOM 1444 CA LEU A 100 8.580 12.664 -4.131 1.00 0.00 C ATOM 1445 C LEU A 100 8.137 11.316 -4.689 1.00 0.00 C ATOM 1446 O LEU A 100 7.076 10.803 -4.333 1.00 0.00 O ATOM 1447 CB LEU A 100 8.342 13.762 -5.170 1.00 0.00 C ATOM 1448 CG LEU A 100 7.987 15.143 -4.617 1.00 0.00 C ATOM 1449 CD1 LEU A 100 8.042 16.189 -5.719 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.610 15.120 -3.969 1.00 0.00 C ATOM 0 H LEU A 100 10.585 13.264 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 100 7.989 12.880 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.240 13.857 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.538 13.440 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 100 8.720 15.408 -3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.787 17.165 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.048 16.224 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.331 15.929 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.374 16.111 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.864 14.833 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.605 14.399 -3.151 1.00 0.00 H new ATOM 1462 N HIS A 101 8.959 10.745 -5.565 1.00 0.00 N ATOM 1463 CA HIS A 101 8.653 9.453 -6.170 1.00 0.00 C ATOM 1464 C HIS A 101 7.997 8.520 -5.157 1.00 0.00 C ATOM 1465 O HIS A 101 7.146 7.703 -5.511 1.00 0.00 O ATOM 1466 CB HIS A 101 9.925 8.811 -6.723 1.00 0.00 C ATOM 1467 CG HIS A 101 10.957 8.528 -5.676 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.818 9.489 -5.188 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.264 7.384 -5.021 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.610 8.948 -4.279 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.294 7.671 -4.159 1.00 0.00 N ATOM 0 H HIS A 101 9.841 11.156 -5.871 1.00 0.00 H new ATOM 0 HA HIS A 101 7.954 9.620 -6.989 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.663 7.879 -7.225 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.356 9.469 -7.478 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.787 6.424 -5.152 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.384 9.462 -3.728 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.742 7.006 -3.529 1.00 0.00 H new ATOM 1479 N CYS A 102 8.398 8.647 -3.897 1.00 0.00 N ATOM 1480 CA CYS A 102 7.850 7.813 -2.833 1.00 0.00 C ATOM 1481 C CYS A 102 6.382 8.144 -2.584 1.00 0.00 C ATOM 1482 O CYS A 102 5.513 7.280 -2.702 1.00 0.00 O ATOM 1483 CB CYS A 102 8.653 8.002 -1.545 1.00 0.00 C ATOM 1484 SG CYS A 102 10.333 7.338 -1.618 1.00 0.00 S ATOM 0 H CYS A 102 9.100 9.319 -3.587 1.00 0.00 H new ATOM 0 HA CYS A 102 7.920 6.772 -3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.704 9.066 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.120 7.523 -0.724 1.00 0.00 H new ATOM 0 HG CYS A 102 10.983 7.908 -2.589 1.00 0.00 H new ATOM 1490 N SER A 103 6.114 9.399 -2.239 1.00 0.00 N ATOM 1491 CA SER A 103 4.751 9.842 -1.969 1.00 0.00 C ATOM 1492 C SER A 103 3.756 9.125 -2.875 1.00 0.00 C ATOM 1493 O SER A 103 2.886 8.393 -2.404 1.00 0.00 O ATOM 1494 CB SER A 103 4.637 11.356 -2.164 1.00 0.00 C ATOM 1495 OG SER A 103 5.882 11.994 -1.942 1.00 0.00 O ATOM 0 H SER A 103 6.822 10.127 -2.140 1.00 0.00 H new ATOM 0 HA SER A 103 4.514 9.596 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.290 11.570 -3.175 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.891 11.759 -1.479 1.00 0.00 H new ATOM 0 HG SER A 103 5.743 12.960 -1.853 1.00 0.00 H new ATOM 1501 N MET A 104 3.891 9.341 -4.180 1.00 0.00 N ATOM 1502 CA MET A 104 3.005 8.714 -5.153 1.00 0.00 C ATOM 1503 C MET A 104 3.070 7.194 -5.048 1.00 0.00 C ATOM 1504 O MET A 104 2.045 6.513 -5.105 1.00 0.00 O ATOM 1505 CB MET A 104 3.376 9.155 -6.571 1.00 0.00 C ATOM 1506 CG MET A 104 4.820 8.859 -6.941 1.00 0.00 C ATOM 1507 SD MET A 104 5.442 9.947 -8.237 1.00 0.00 S ATOM 1508 CE MET A 104 5.796 11.429 -7.296 1.00 0.00 C ATOM 0 H MET A 104 4.605 9.945 -4.587 1.00 0.00 H new ATOM 0 HA MET A 104 1.985 9.032 -4.936 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.718 8.656 -7.282 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.197 10.226 -6.668 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.446 8.961 -6.055 1.00 0.00 H new ATOM 0 HG3 MET A 104 4.901 7.823 -7.271 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.257 12.272 -7.728 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.480 11.288 -6.262 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.867 11.631 -7.324 1.00 0.00 H new ATOM 1518 N LEU A 105 4.280 6.667 -4.894 1.00 0.00 N ATOM 1519 CA LEU A 105 4.478 5.226 -4.781 1.00 0.00 C ATOM 1520 C LEU A 105 3.496 4.618 -3.786 1.00 0.00 C ATOM 1521 O LEU A 105 2.942 3.544 -4.023 1.00 0.00 O ATOM 1522 CB LEU A 105 5.914 4.922 -4.349 1.00 0.00 C ATOM 1523 CG LEU A 105 6.458 3.550 -4.749 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.707 3.490 -6.248 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.735 3.239 -3.981 1.00 0.00 C ATOM 0 H LEU A 105 5.138 7.216 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 105 4.297 4.781 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.568 5.687 -4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.973 5.012 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 105 5.712 2.797 -4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.094 2.506 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.772 3.668 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.434 4.253 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.109 2.259 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.487 3.996 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.525 3.239 -2.911 1.00 0.00 H new ATOM 1537 N ALA A 106 3.282 5.312 -2.673 1.00 0.00 N ATOM 1538 CA ALA A 106 2.363 4.842 -1.644 1.00 0.00 C ATOM 1539 C ALA A 106 0.936 4.766 -2.176 1.00 0.00 C ATOM 1540 O ALA A 106 0.214 3.808 -1.904 1.00 0.00 O ATOM 1541 CB ALA A 106 2.427 5.750 -0.425 1.00 0.00 C ATOM 0 H ALA A 106 3.733 6.202 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 106 2.667 3.837 -1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.736 5.387 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.441 5.750 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.151 6.765 -0.712 1.00 0.00 H new ATOM 1547 N GLU A 107 0.537 5.782 -2.934 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.805 5.830 -3.502 1.00 0.00 C ATOM 1549 C GLU A 107 -0.999 4.721 -4.533 1.00 0.00 C ATOM 1550 O GLU A 107 -1.890 3.883 -4.399 1.00 0.00 O ATOM 1551 CB GLU A 107 -1.062 7.193 -4.148 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.490 7.378 -4.632 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.702 8.707 -5.331 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.816 9.114 -6.112 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.752 9.340 -5.097 1.00 0.00 O ATOM 0 H GLU A 107 1.124 6.583 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.520 5.680 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.827 7.977 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.382 7.320 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.746 6.568 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.170 7.306 -3.783 1.00 0.00 H new ATOM 1562 N ASP A 108 -0.159 4.725 -5.562 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.236 3.721 -6.617 1.00 0.00 C ATOM 1564 C ASP A 108 -0.314 2.317 -6.025 1.00 0.00 C ATOM 1565 O ASP A 108 -1.122 1.495 -6.457 1.00 0.00 O ATOM 1566 CB ASP A 108 0.975 3.830 -7.544 1.00 0.00 C ATOM 1567 CG ASP A 108 0.670 3.359 -8.953 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.193 2.469 -9.107 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.292 3.881 -9.900 1.00 0.00 O ATOM 0 H ASP A 108 0.584 5.413 -5.688 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.142 3.904 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.313 4.866 -7.575 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.795 3.239 -7.136 1.00 0.00 H new ATOM 1574 N ALA A 109 0.531 2.050 -5.035 1.00 0.00 N ATOM 1575 CA ALA A 109 0.557 0.746 -4.384 1.00 0.00 C ATOM 1576 C ALA A 109 -0.816 0.383 -3.828 1.00 0.00 C ATOM 1577 O ALA A 109 -1.319 -0.717 -4.060 1.00 0.00 O ATOM 1578 CB ALA A 109 1.598 0.730 -3.275 1.00 0.00 C ATOM 0 H ALA A 109 1.207 2.719 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 109 0.827 -0.000 -5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.606 -0.250 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.582 0.937 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.353 1.492 -2.535 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.416 1.313 -3.093 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.731 1.090 -2.504 1.00 0.00 C ATOM 1586 C ILE A 110 -3.748 0.688 -3.567 1.00 0.00 C ATOM 1587 O ILE A 110 -4.286 -0.419 -3.541 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.240 2.345 -1.771 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.351 2.653 -0.565 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.686 2.155 -1.336 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.533 4.054 -0.023 1.00 0.00 C ATOM 0 H ILE A 110 -1.013 2.228 -2.891 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.621 0.279 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.196 3.191 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.565 1.935 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.308 2.514 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.031 3.051 -0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.309 1.979 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.754 1.299 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.872 4.203 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.291 4.779 -0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.568 4.191 0.291 1.00 0.00 H new ATOM 1603 N LYS A 111 -4.006 1.594 -4.504 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.956 1.335 -5.579 1.00 0.00 C ATOM 1605 C LYS A 111 -4.683 -0.016 -6.233 1.00 0.00 C ATOM 1606 O LYS A 111 -5.559 -0.878 -6.288 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.885 2.446 -6.629 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.703 3.674 -6.272 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.888 4.670 -5.463 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.760 5.793 -4.921 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.851 6.934 -5.874 1.00 0.00 N ATOM 0 H LYS A 111 -3.570 2.515 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.957 1.314 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.844 2.740 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.233 2.054 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.062 4.151 -7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.582 3.374 -5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.400 4.155 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.099 5.089 -6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.760 5.410 -4.717 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.353 6.144 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.819 7.313 -5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.186 7.680 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.612 6.606 -6.832 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.461 -0.193 -6.725 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.072 -1.440 -7.372 1.00 0.00 C ATOM 1627 C ALA A 112 -3.616 -2.645 -6.612 1.00 0.00 C ATOM 1628 O ALA A 112 -4.133 -3.587 -7.212 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.557 -1.525 -7.486 1.00 0.00 C ATOM 0 H ALA A 112 -2.724 0.511 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.502 -1.451 -8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.281 -2.461 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.189 -0.687 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.115 -1.488 -6.491 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.494 -2.609 -5.289 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.974 -3.698 -4.448 1.00 0.00 C ATOM 1637 C ALA A 113 -5.460 -3.955 -4.677 1.00 0.00 C ATOM 1638 O ALA A 113 -5.842 -4.966 -5.267 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.711 -3.388 -2.982 1.00 0.00 C ATOM 0 H ALA A 113 -3.067 -1.837 -4.777 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.429 -4.602 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.075 -4.210 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.640 -3.262 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.230 -2.470 -2.706 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.294 -3.034 -4.207 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.739 -3.161 -4.361 1.00 0.00 C ATOM 1647 C LEU A 114 -8.101 -3.591 -5.779 1.00 0.00 C ATOM 1648 O LEU A 114 -8.753 -4.616 -5.980 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.426 -1.835 -4.028 1.00 0.00 C ATOM 1650 CG LEU A 114 -8.058 -1.208 -2.683 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.679 -2.284 -1.677 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.921 -0.210 -2.852 1.00 0.00 C ATOM 0 H LEU A 114 -5.995 -2.191 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.086 -3.928 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.192 -1.119 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.504 -1.992 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.930 -0.675 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.420 -1.818 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.522 -2.960 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.823 -2.846 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.673 0.226 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -6.046 -0.720 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.229 0.580 -3.538 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.670 -2.803 -6.759 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.945 -3.105 -8.158 1.00 0.00 C ATOM 1666 C ALA A 115 -7.756 -4.591 -8.446 1.00 0.00 C ATOM 1667 O ALA A 115 -8.723 -5.314 -8.686 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.049 -2.272 -9.063 1.00 0.00 C ATOM 0 H ALA A 115 -7.129 -1.951 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.985 -2.852 -8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.265 -2.507 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.235 -1.213 -8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.004 -2.498 -8.849 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.506 -5.039 -8.421 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.191 -6.440 -8.680 1.00 0.00 C ATOM 1676 C ASP A 116 -7.240 -7.356 -8.058 1.00 0.00 C ATOM 1677 O ASP A 116 -7.767 -8.252 -8.719 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.806 -6.783 -8.129 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.440 -8.238 -8.347 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -3.931 -8.564 -9.440 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -4.664 -9.050 -7.425 1.00 0.00 O ATOM 0 H ASP A 116 -5.694 -4.453 -8.224 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.193 -6.594 -9.759 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.060 -6.148 -8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.777 -6.560 -7.062 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.538 -7.128 -6.784 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.521 -7.935 -6.072 1.00 0.00 C ATOM 1688 C TYR A 117 -9.875 -7.888 -6.773 1.00 0.00 C ATOM 1689 O TYR A 117 -10.538 -8.912 -6.940 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.664 -7.447 -4.629 1.00 0.00 C ATOM 1691 CG TYR A 117 -10.033 -7.697 -4.038 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.325 -8.892 -3.392 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -11.035 -6.738 -4.126 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.575 -9.125 -2.852 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.287 -6.961 -3.587 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.552 -8.157 -2.951 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.798 -8.384 -2.413 1.00 0.00 O ATOM 0 H TYR A 117 -7.112 -6.390 -6.223 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.171 -8.967 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.915 -7.942 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.452 -6.379 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.562 -9.652 -3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.831 -5.802 -4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.786 -10.060 -2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -13.054 -6.204 -3.663 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.369 -7.602 -2.568 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.280 -6.691 -7.183 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.554 -6.507 -7.868 1.00 0.00 C ATOM 1709 C LYS A 118 -11.580 -7.278 -9.184 1.00 0.00 C ATOM 1710 O LYS A 118 -12.544 -7.985 -9.483 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.806 -5.021 -8.131 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.085 -4.219 -6.871 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.820 -2.738 -7.082 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.557 -2.026 -5.764 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.812 -1.501 -5.158 1.00 0.00 N ATOM 0 H LYS A 118 -9.744 -5.833 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.343 -6.894 -7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -10.938 -4.598 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.652 -4.919 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.122 -4.364 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.461 -4.589 -6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -10.962 -2.611 -7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.676 -2.281 -7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.078 -2.715 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.861 -1.203 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -12.579 -0.908 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -13.325 -0.932 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.410 -2.296 -4.854 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.516 -7.139 -9.967 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.416 -7.824 -11.251 1.00 0.00 C ATOM 1731 C LEU A 119 -10.869 -9.276 -11.130 1.00 0.00 C ATOM 1732 O LEU A 119 -11.671 -9.756 -11.932 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.978 -7.769 -11.770 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.266 -6.422 -11.633 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.923 -6.453 -12.346 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.137 -5.301 -12.180 1.00 0.00 C ATOM 0 H LEU A 119 -9.710 -6.558 -9.735 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.071 -7.315 -11.958 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.393 -8.522 -11.242 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.982 -8.050 -12.823 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.087 -6.233 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.431 -5.486 -12.238 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.296 -7.230 -11.908 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.078 -6.665 -13.404 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.615 -4.350 -12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.347 -5.485 -13.234 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.074 -5.264 -11.624 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.352 -9.970 -10.122 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.706 -11.366 -9.893 1.00 0.00 C ATOM 1750 C LYS A 120 -12.204 -11.515 -9.647 1.00 0.00 C ATOM 1751 O LYS A 120 -12.829 -12.461 -10.125 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.924 -11.923 -8.701 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.455 -11.537 -8.704 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.602 -12.586 -8.010 1.00 0.00 C ATOM 1755 CE LYS A 120 -7.130 -13.654 -8.985 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.370 -14.735 -8.299 1.00 0.00 N ATOM 0 H LYS A 120 -9.686 -9.588 -9.450 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.445 -11.932 -10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.383 -11.568 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -10.006 -13.010 -8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.113 -11.410 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.329 -10.576 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.739 -12.107 -7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -8.176 -13.051 -7.209 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.991 -14.084 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.501 -13.196 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -6.066 -15.443 -8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.534 -14.329 -7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.978 -15.189 -7.588 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.772 -10.573 -8.900 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.197 -10.600 -8.592 1.00 0.00 C ATOM 1772 C GLN A 121 -15.031 -10.490 -9.864 1.00 0.00 C ATOM 1773 O GLN A 121 -16.099 -11.092 -9.971 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.555 -9.464 -7.632 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.764 -9.492 -6.334 1.00 0.00 C ATOM 1776 CD GLN A 121 -14.029 -10.742 -5.517 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -15.162 -11.006 -5.114 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.982 -11.520 -5.269 1.00 0.00 N ATOM 0 H GLN A 121 -12.268 -9.783 -8.498 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.422 -11.553 -8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.384 -8.510 -8.131 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.619 -9.517 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.700 -9.429 -6.560 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -14.016 -8.614 -5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -12.060 -11.263 -5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -13.099 -12.375 -4.725 1.00 0.00 H new