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 -94:sc= 0.14 USER MOD Set 1.2: A 59 CYS SG : rot -86:sc= 0.192 USER MOD Set 1.3: A 101 HIS : no HD1:sc= -1.31! C(o=-8.1!,f=-12!) USER MOD Set 1.4: A 102 CYS SG : rot 24:sc= -7.12! USER MOD Set 2.1: A 86 ASN : amide:sc= -0.897 K(o=0.18,f=-1.3) USER MOD Set 2.2: A 103 SER OG : rot -54:sc= 1.08 USER MOD Set 3.1: A 37 MET CE :methyl 176:sc= -3.6 (180deg=-3.1) USER MOD Set 3.2: A 56 THR OG1 : rot 90:sc= 0.385 USER MOD Set 3.3: A 66 SER OG : rot 147:sc= -0.592 USER MOD Single : A 22 ASN :FLIP amide:sc= 0.019! F(o=-0.59,f=0.019!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) 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+ 146:sc= -0.0446 (180deg=-1.89) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -130:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.501 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -150:sc= -0.0237 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -1.19 (180deg=-1.67) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 83 THR OG1 : rot -48:sc= 0.965 USER MOD Single : A 85 LYS NZ :NH3+ -103:sc= -0.296 (180deg=-2.16!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 160:sc= -0.0924 (180deg=-0.543) USER MOD Single : A 111 LYS NZ :NH3+ 148:sc= 0.131 (180deg=-0.0051) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 158:sc= -1.38 (180deg=-2.6!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.243 -13.114 -2.629 1.00 0.00 N ATOM 282 CA ASN A 22 -9.707 -12.177 -1.612 1.00 0.00 C ATOM 283 C ASN A 22 -8.630 -11.144 -1.293 1.00 0.00 C ATOM 284 O ASN A 22 -8.932 -10.019 -0.896 1.00 0.00 O ATOM 285 CB ASN A 22 -10.104 -12.927 -0.339 1.00 0.00 C ATOM 286 CG ASN A 22 -9.032 -13.898 0.117 1.00 0.00 C ATOM 287 OD1 ASN A 22 -8.580 -13.740 1.355 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -8.616 -14.780 -0.635 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.580 -11.656 -2.005 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.302 -12.208 0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.032 -13.471 -0.515 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.992 -14.865 -1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.895 -15.426 -0.314 1.00 0.00 H new ATOM 295 N VAL A 23 -7.372 -11.536 -1.469 1.00 0.00 N ATOM 296 CA VAL A 23 -6.250 -10.645 -1.201 1.00 0.00 C ATOM 297 C VAL A 23 -5.535 -10.258 -2.491 1.00 0.00 C ATOM 298 O VAL A 23 -5.023 -11.115 -3.211 1.00 0.00 O ATOM 299 CB VAL A 23 -5.235 -11.292 -0.240 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.834 -12.673 -0.737 1.00 0.00 C ATOM 301 CG2 VAL A 23 -4.014 -10.401 -0.074 1.00 0.00 C ATOM 0 H VAL A 23 -7.105 -12.464 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.662 -9.750 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.708 -11.406 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.116 -13.114 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.717 -13.308 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.380 -12.587 -1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.308 -10.875 0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.538 -10.252 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.320 -9.437 0.332 1.00 0.00 H new ATOM 311 N GLY A 24 -5.504 -8.960 -2.778 1.00 0.00 N ATOM 312 CA GLY A 24 -4.849 -8.482 -3.982 1.00 0.00 C ATOM 313 C GLY A 24 -3.361 -8.266 -3.786 1.00 0.00 C ATOM 314 O GLY A 24 -2.865 -8.293 -2.659 1.00 0.00 O ATOM 0 H GLY A 24 -5.921 -8.231 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.006 -9.200 -4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.311 -7.546 -4.296 1.00 0.00 H new ATOM 318 N THR A 25 -2.646 -8.054 -4.886 1.00 0.00 N ATOM 319 CA THR A 25 -1.206 -7.836 -4.831 1.00 0.00 C ATOM 320 C THR A 25 -0.796 -6.646 -5.692 1.00 0.00 C ATOM 321 O THR A 25 -0.794 -6.727 -6.920 1.00 0.00 O ATOM 322 CB THR A 25 -0.431 -9.083 -5.297 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.938 -10.249 -4.638 1.00 0.00 O ATOM 324 CG2 THR A 25 1.055 -8.936 -5.006 1.00 0.00 C ATOM 0 H THR A 25 -3.041 -8.029 -5.826 1.00 0.00 H new ATOM 0 HA THR A 25 -0.957 -7.630 -3.790 1.00 0.00 H new ATOM 0 HB THR A 25 -0.566 -9.187 -6.374 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.441 -11.038 -4.941 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.582 -9.828 -5.344 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.444 -8.064 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.205 -8.810 -3.934 1.00 0.00 H new ATOM 332 N GLY A 26 -0.450 -5.541 -5.040 1.00 0.00 N ATOM 333 CA GLY A 26 -0.042 -4.350 -5.762 1.00 0.00 C ATOM 334 C GLY A 26 1.417 -4.006 -5.537 1.00 0.00 C ATOM 335 O GLY A 26 1.799 -3.568 -4.451 1.00 0.00 O ATOM 0 H GLY A 26 -0.445 -5.449 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.217 -4.497 -6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.662 -3.510 -5.450 1.00 0.00 H new ATOM 339 N LEU A 27 2.235 -4.205 -6.565 1.00 0.00 N ATOM 340 CA LEU A 27 3.662 -3.914 -6.474 1.00 0.00 C ATOM 341 C LEU A 27 4.035 -2.735 -7.367 1.00 0.00 C ATOM 342 O LEU A 27 3.828 -2.771 -8.580 1.00 0.00 O ATOM 343 CB LEU A 27 4.479 -5.145 -6.868 1.00 0.00 C ATOM 344 CG LEU A 27 5.971 -4.912 -7.110 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.617 -4.277 -5.888 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.665 -6.218 -7.465 1.00 0.00 C ATOM 0 H LEU A 27 1.935 -4.566 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 27 3.889 -3.650 -5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.371 -5.894 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.046 -5.568 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 27 6.080 -4.227 -7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.678 -4.119 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.139 -3.320 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.497 -4.937 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.726 -6.032 -7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.547 -6.927 -6.646 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.221 -6.632 -8.370 1.00 0.00 H new ATOM 358 N VAL A 28 4.588 -1.690 -6.758 1.00 0.00 N ATOM 359 CA VAL A 28 4.994 -0.501 -7.498 1.00 0.00 C ATOM 360 C VAL A 28 6.382 -0.037 -7.073 1.00 0.00 C ATOM 361 O VAL A 28 6.651 0.147 -5.887 1.00 0.00 O ATOM 362 CB VAL A 28 3.994 0.653 -7.297 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.703 0.380 -8.054 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.719 0.867 -5.816 1.00 0.00 C ATOM 0 H VAL A 28 4.765 -1.643 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 28 5.013 -0.775 -8.553 1.00 0.00 H new ATOM 0 HB VAL A 28 4.434 1.566 -7.697 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.009 1.206 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.919 0.281 -9.118 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.255 -0.543 -7.688 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.010 1.686 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.299 -0.044 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.650 1.112 -5.305 1.00 0.00 H new ATOM 374 N GLY A 29 7.262 0.153 -8.052 1.00 0.00 N ATOM 375 CA GLY A 29 8.613 0.595 -7.759 1.00 0.00 C ATOM 376 C GLY A 29 8.971 1.881 -8.477 1.00 0.00 C ATOM 377 O GLY A 29 8.235 2.336 -9.353 1.00 0.00 O ATOM 0 H GLY A 29 7.063 0.009 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.719 0.741 -6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.318 -0.186 -8.046 1.00 0.00 H new ATOM 381 N ALA A 30 10.103 2.470 -8.106 1.00 0.00 N ATOM 382 CA ALA A 30 10.556 3.711 -8.721 1.00 0.00 C ATOM 383 C ALA A 30 11.606 3.440 -9.794 1.00 0.00 C ATOM 384 O ALA A 30 12.559 2.689 -9.588 1.00 0.00 O ATOM 385 CB ALA A 30 11.111 4.652 -7.663 1.00 0.00 C ATOM 0 H ALA A 30 10.723 2.107 -7.382 1.00 0.00 H new ATOM 0 HA ALA A 30 9.699 4.185 -9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.446 5.575 -8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.333 4.879 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.953 4.177 -7.159 1.00 0.00 H new ATOM 391 N PRO A 31 11.428 4.066 -10.967 1.00 0.00 N ATOM 392 CA PRO A 31 12.351 3.908 -12.095 1.00 0.00 C ATOM 393 C PRO A 31 13.702 4.566 -11.837 1.00 0.00 C ATOM 394 O PRO A 31 14.749 3.946 -12.019 1.00 0.00 O ATOM 395 CB PRO A 31 11.626 4.609 -13.247 1.00 0.00 C ATOM 396 CG PRO A 31 10.733 5.601 -12.584 1.00 0.00 C ATOM 397 CD PRO A 31 10.315 4.977 -11.282 1.00 0.00 C ATOM 0 HA PRO A 31 12.579 2.860 -12.291 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.331 5.098 -13.919 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.054 3.899 -13.845 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.254 6.543 -12.415 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.866 5.823 -13.206 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.177 5.727 -10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.371 4.440 -11.378 1.00 0.00 H new ATOM 405 N ALA A 32 13.670 5.824 -11.411 1.00 0.00 N ATOM 406 CA ALA A 32 14.892 6.565 -11.125 1.00 0.00 C ATOM 407 C ALA A 32 15.565 6.046 -9.858 1.00 0.00 C ATOM 408 O ALA A 32 16.642 5.452 -9.914 1.00 0.00 O ATOM 409 CB ALA A 32 14.591 8.051 -10.994 1.00 0.00 C ATOM 0 H ALA A 32 12.811 6.352 -11.256 1.00 0.00 H new ATOM 0 HA ALA A 32 15.580 6.417 -11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.513 8.592 -10.780 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.162 8.419 -11.926 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.882 8.208 -10.181 1.00 0.00 H new ATOM 415 N CYS A 33 14.924 6.274 -8.717 1.00 0.00 N ATOM 416 CA CYS A 33 15.460 5.831 -7.436 1.00 0.00 C ATOM 417 C CYS A 33 15.740 4.331 -7.453 1.00 0.00 C ATOM 418 O CYS A 33 16.746 3.871 -6.915 1.00 0.00 O ATOM 419 CB CYS A 33 14.483 6.166 -6.307 1.00 0.00 C ATOM 420 SG CYS A 33 15.246 6.212 -4.653 1.00 0.00 S ATOM 0 H CYS A 33 14.031 6.764 -8.653 1.00 0.00 H new ATOM 0 HA CYS A 33 16.399 6.356 -7.262 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.026 7.134 -6.512 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.680 5.429 -6.305 1.00 0.00 H new ATOM 0 HG CYS A 33 15.111 5.053 -4.080 1.00 0.00 H new ATOM 425 N GLY A 34 14.842 3.574 -8.076 1.00 0.00 N ATOM 426 CA GLY A 34 15.010 2.135 -8.153 1.00 0.00 C ATOM 427 C GLY A 34 14.562 1.431 -6.887 1.00 0.00 C ATOM 428 O GLY A 34 15.359 0.771 -6.220 1.00 0.00 O ATOM 0 H GLY A 34 14.001 3.932 -8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.441 1.751 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.058 1.904 -8.342 1.00 0.00 H new ATOM 432 N ASP A 35 13.284 1.573 -6.555 1.00 0.00 N ATOM 433 CA ASP A 35 12.731 0.946 -5.360 1.00 0.00 C ATOM 434 C ASP A 35 11.654 -0.071 -5.728 1.00 0.00 C ATOM 435 O ASP A 35 11.091 -0.025 -6.822 1.00 0.00 O ATOM 436 CB ASP A 35 12.149 2.006 -4.424 1.00 0.00 C ATOM 437 CG ASP A 35 12.986 3.270 -4.389 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.164 3.213 -4.802 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.464 4.315 -3.950 1.00 0.00 O ATOM 0 H ASP A 35 12.611 2.116 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 35 13.539 0.424 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.137 2.253 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.074 1.596 -3.417 1.00 0.00 H new ATOM 444 N VAL A 36 11.374 -0.988 -4.808 1.00 0.00 N ATOM 445 CA VAL A 36 10.365 -2.016 -5.036 1.00 0.00 C ATOM 446 C VAL A 36 9.460 -2.177 -3.820 1.00 0.00 C ATOM 447 O VAL A 36 9.815 -2.851 -2.854 1.00 0.00 O ATOM 448 CB VAL A 36 11.012 -3.374 -5.364 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.963 -4.476 -5.380 1.00 0.00 C ATOM 450 CG2 VAL A 36 11.746 -3.307 -6.695 1.00 0.00 C ATOM 0 H VAL A 36 11.831 -1.040 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 36 9.769 -1.691 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 36 11.738 -3.608 -4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.439 -5.428 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.486 -4.539 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.211 -4.251 -6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.197 -4.275 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.042 -3.050 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.526 -2.547 -6.643 1.00 0.00 H new ATOM 460 N MET A 37 8.288 -1.553 -3.875 1.00 0.00 N ATOM 461 CA MET A 37 7.330 -1.628 -2.777 1.00 0.00 C ATOM 462 C MET A 37 6.180 -2.568 -3.124 1.00 0.00 C ATOM 463 O MET A 37 5.315 -2.235 -3.934 1.00 0.00 O ATOM 464 CB MET A 37 6.786 -0.236 -2.450 1.00 0.00 C ATOM 465 CG MET A 37 6.063 -0.165 -1.115 1.00 0.00 C ATOM 466 SD MET A 37 4.293 -0.470 -1.266 1.00 0.00 S ATOM 467 CE MET A 37 3.635 1.148 -0.866 1.00 0.00 C ATOM 0 H MET A 37 7.979 -0.990 -4.667 1.00 0.00 H new ATOM 0 HA MET A 37 7.847 -2.022 -1.902 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.611 0.476 -2.445 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.103 0.073 -3.241 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.497 -0.896 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.222 0.818 -0.672 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.552 1.140 -0.986 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.884 1.397 0.165 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.068 1.892 -1.534 1.00 0.00 H new ATOM 477 N LYS A 38 6.176 -3.744 -2.505 1.00 0.00 N ATOM 478 CA LYS A 38 5.132 -4.733 -2.747 1.00 0.00 C ATOM 479 C LYS A 38 4.062 -4.670 -1.662 1.00 0.00 C ATOM 480 O LYS A 38 4.307 -5.036 -0.511 1.00 0.00 O ATOM 481 CB LYS A 38 5.735 -6.138 -2.802 1.00 0.00 C ATOM 482 CG LYS A 38 4.772 -7.193 -3.319 1.00 0.00 C ATOM 483 CD LYS A 38 5.507 -8.324 -4.020 1.00 0.00 C ATOM 484 CE LYS A 38 4.664 -8.932 -5.130 1.00 0.00 C ATOM 485 NZ LYS A 38 5.477 -9.786 -6.039 1.00 0.00 N ATOM 0 H LYS A 38 6.885 -4.035 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 38 4.666 -4.506 -3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.618 -6.120 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.069 -6.421 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.191 -7.595 -2.489 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.065 -6.734 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.442 -7.949 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.767 -9.095 -3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.862 -9.527 -4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.192 -8.136 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.866 -10.182 -6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.226 -9.213 -6.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.907 -10.561 -5.495 1.00 0.00 H new ATOM 499 N LEU A 39 2.874 -4.206 -2.035 1.00 0.00 N ATOM 500 CA LEU A 39 1.765 -4.097 -1.093 1.00 0.00 C ATOM 501 C LEU A 39 0.789 -5.256 -1.265 1.00 0.00 C ATOM 502 O LEU A 39 0.662 -5.816 -2.353 1.00 0.00 O ATOM 503 CB LEU A 39 1.035 -2.767 -1.288 1.00 0.00 C ATOM 504 CG LEU A 39 0.307 -2.215 -0.061 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.296 -1.581 0.905 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.754 -1.208 -0.479 1.00 0.00 C ATOM 0 H LEU A 39 2.654 -3.899 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 39 2.172 -4.137 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.759 -2.023 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.309 -2.888 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.187 -3.042 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.761 -1.194 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.019 -2.330 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.819 -0.764 0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.262 -0.826 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.282 -0.382 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.479 -1.694 -1.132 1.00 0.00 H new ATOM 518 N GLN A 40 0.102 -5.609 -0.184 1.00 0.00 N ATOM 519 CA GLN A 40 -0.864 -6.701 -0.216 1.00 0.00 C ATOM 520 C GLN A 40 -1.928 -6.519 0.862 1.00 0.00 C ATOM 521 O GLN A 40 -1.613 -6.437 2.050 1.00 0.00 O ATOM 522 CB GLN A 40 -0.155 -8.043 -0.028 1.00 0.00 C ATOM 523 CG GLN A 40 0.276 -8.691 -1.333 1.00 0.00 C ATOM 524 CD GLN A 40 1.166 -9.900 -1.119 1.00 0.00 C ATOM 525 OE1 GLN A 40 2.382 -9.771 -0.972 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.564 -11.083 -1.100 1.00 0.00 N ATOM 0 H GLN A 40 0.196 -5.155 0.725 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.354 -6.690 -1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.722 -7.896 0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.819 -8.724 0.504 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.609 -8.991 -1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.806 -7.958 -1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.446 -11.143 -1.226 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.112 -11.932 -0.959 1.00 0.00 H new ATOM 535 N ILE A 41 -3.186 -6.456 0.441 1.00 0.00 N ATOM 536 CA ILE A 41 -4.295 -6.285 1.371 1.00 0.00 C ATOM 537 C ILE A 41 -5.296 -7.428 1.249 1.00 0.00 C ATOM 538 O ILE A 41 -5.717 -7.783 0.148 1.00 0.00 O ATOM 539 CB ILE A 41 -5.027 -4.950 1.134 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.695 -4.946 -0.242 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.057 -3.785 1.262 1.00 0.00 C ATOM 542 CD1 ILE A 41 -7.109 -5.480 -0.229 1.00 0.00 C ATOM 0 H ILE A 41 -3.463 -6.521 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.868 -6.284 2.374 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.802 -4.838 1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.704 -3.927 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.096 -5.543 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.588 -2.849 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.624 -3.780 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.262 -3.890 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.520 -5.447 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.106 -6.510 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.723 -4.869 0.432 1.00 0.00 H new ATOM 554 N GLN A 42 -5.674 -8.000 2.388 1.00 0.00 N ATOM 555 CA GLN A 42 -6.627 -9.104 2.408 1.00 0.00 C ATOM 556 C GLN A 42 -8.045 -8.594 2.642 1.00 0.00 C ATOM 557 O GLN A 42 -8.383 -8.148 3.738 1.00 0.00 O ATOM 558 CB GLN A 42 -6.249 -10.111 3.496 1.00 0.00 C ATOM 559 CG GLN A 42 -6.912 -11.468 3.324 1.00 0.00 C ATOM 560 CD GLN A 42 -6.775 -12.345 4.554 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.687 -12.427 5.376 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.630 -13.005 4.686 1.00 0.00 N ATOM 0 H GLN A 42 -5.335 -7.718 3.308 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.593 -9.598 1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.167 -10.242 3.498 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.523 -9.703 4.469 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.969 -11.326 3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.470 -11.978 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.901 -12.907 3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.480 -13.610 5.494 1.00 0.00 H new ATOM 571 N VAL A 43 -8.872 -8.662 1.603 1.00 0.00 N ATOM 572 CA VAL A 43 -10.254 -8.207 1.694 1.00 0.00 C ATOM 573 C VAL A 43 -11.178 -9.342 2.122 1.00 0.00 C ATOM 574 O VAL A 43 -11.083 -10.459 1.613 1.00 0.00 O ATOM 575 CB VAL A 43 -10.747 -7.637 0.352 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.208 -7.224 0.451 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.882 -6.462 -0.078 1.00 0.00 C ATOM 0 H VAL A 43 -8.608 -9.028 0.688 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.279 -7.418 2.446 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.665 -8.417 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.539 -6.823 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.815 -8.092 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.319 -6.461 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.245 -6.072 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.930 -5.679 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.850 -6.793 -0.192 1.00 0.00 H new ATOM 587 N ASP A 44 -12.072 -9.048 3.060 1.00 0.00 N ATOM 588 CA ASP A 44 -13.015 -10.043 3.556 1.00 0.00 C ATOM 589 C ASP A 44 -14.282 -10.063 2.705 1.00 0.00 C ATOM 590 O ASP A 44 -14.368 -9.375 1.688 1.00 0.00 O ATOM 591 CB ASP A 44 -13.371 -9.757 5.015 1.00 0.00 C ATOM 592 CG ASP A 44 -14.585 -8.860 5.150 1.00 0.00 C ATOM 593 OD1 ASP A 44 -14.601 -7.783 4.517 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.520 -9.234 5.888 1.00 0.00 O ATOM 0 H ASP A 44 -12.163 -8.128 3.492 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.540 -11.022 3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.559 -10.698 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -12.520 -9.288 5.508 1.00 0.00 H new ATOM 599 N GLU A 45 -15.261 -10.856 3.129 1.00 0.00 N ATOM 600 CA GLU A 45 -16.522 -10.966 2.404 1.00 0.00 C ATOM 601 C GLU A 45 -17.243 -9.622 2.361 1.00 0.00 C ATOM 602 O GLU A 45 -17.851 -9.262 1.352 1.00 0.00 O ATOM 603 CB GLU A 45 -17.420 -12.019 3.056 1.00 0.00 C ATOM 604 CG GLU A 45 -17.720 -11.741 4.519 1.00 0.00 C ATOM 605 CD GLU A 45 -18.024 -13.004 5.302 1.00 0.00 C ATOM 606 OE1 GLU A 45 -17.310 -14.009 5.105 1.00 0.00 O ATOM 607 OE2 GLU A 45 -18.975 -12.987 6.111 1.00 0.00 O ATOM 0 H GLU A 45 -15.206 -11.431 3.970 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.299 -11.272 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.359 -12.075 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.942 -12.995 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.867 -11.234 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.569 -11.061 4.589 1.00 0.00 H new ATOM 614 N LYS A 46 -17.173 -8.884 3.463 1.00 0.00 N ATOM 615 CA LYS A 46 -17.818 -7.579 3.554 1.00 0.00 C ATOM 616 C LYS A 46 -17.130 -6.568 2.643 1.00 0.00 C ATOM 617 O LYS A 46 -17.731 -5.574 2.236 1.00 0.00 O ATOM 618 CB LYS A 46 -17.797 -7.076 4.999 1.00 0.00 C ATOM 619 CG LYS A 46 -18.524 -7.989 5.971 1.00 0.00 C ATOM 620 CD LYS A 46 -19.120 -7.208 7.130 1.00 0.00 C ATOM 621 CE LYS A 46 -20.082 -8.062 7.942 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.665 -7.307 9.086 1.00 0.00 N ATOM 0 H LYS A 46 -16.675 -9.167 4.307 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.853 -7.690 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.762 -6.966 5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.249 -6.085 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.316 -8.524 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.832 -8.739 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.320 -6.846 7.776 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.643 -6.331 6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -20.884 -8.419 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.559 -8.942 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.315 -7.924 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.902 -6.988 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.186 -6.481 8.728 1.00 0.00 H new ATOM 636 N GLY A 47 -15.865 -6.828 2.324 1.00 0.00 N ATOM 637 CA GLY A 47 -15.117 -5.932 1.462 1.00 0.00 C ATOM 638 C GLY A 47 -14.275 -4.944 2.244 1.00 0.00 C ATOM 639 O GLY A 47 -13.915 -3.883 1.734 1.00 0.00 O ATOM 0 H GLY A 47 -15.345 -7.644 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.471 -6.517 0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.810 -5.387 0.821 1.00 0.00 H new ATOM 643 N LYS A 48 -13.960 -5.291 3.487 1.00 0.00 N ATOM 644 CA LYS A 48 -13.155 -4.428 4.343 1.00 0.00 C ATOM 645 C LYS A 48 -11.764 -5.017 4.557 1.00 0.00 C ATOM 646 O LYS A 48 -11.622 -6.203 4.856 1.00 0.00 O ATOM 647 CB LYS A 48 -13.847 -4.224 5.693 1.00 0.00 C ATOM 648 CG LYS A 48 -13.085 -3.308 6.635 1.00 0.00 C ATOM 649 CD LYS A 48 -12.115 -4.088 7.507 1.00 0.00 C ATOM 650 CE LYS A 48 -12.770 -4.536 8.805 1.00 0.00 C ATOM 651 NZ LYS A 48 -13.403 -5.878 8.672 1.00 0.00 N ATOM 0 H LYS A 48 -14.250 -6.165 3.925 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.049 -3.464 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.841 -3.811 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.982 -5.193 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.538 -2.563 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.789 -2.767 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.753 -4.959 6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.246 -3.469 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.023 -4.564 9.598 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.524 -3.807 9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.320 -6.392 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.408 -5.765 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.924 -6.415 7.921 1.00 0.00 H new ATOM 665 N ILE A 49 -10.743 -4.182 4.403 1.00 0.00 N ATOM 666 CA ILE A 49 -9.364 -4.621 4.583 1.00 0.00 C ATOM 667 C ILE A 49 -9.098 -5.020 6.030 1.00 0.00 C ATOM 668 O ILE A 49 -9.077 -4.175 6.925 1.00 0.00 O ATOM 669 CB ILE A 49 -8.366 -3.522 4.174 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.494 -3.217 2.680 1.00 0.00 C ATOM 671 CG2 ILE A 49 -6.944 -3.944 4.514 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.146 -1.788 2.323 1.00 0.00 C ATOM 0 H ILE A 49 -10.844 -3.198 4.154 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.222 -5.488 3.938 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.598 -2.615 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.843 -3.891 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.516 -3.424 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.250 -3.157 4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.862 -4.116 5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.699 -4.862 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.259 -1.644 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.813 -1.108 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.115 -1.582 2.610 1.00 0.00 H new ATOM 684 N VAL A 50 -8.894 -6.315 6.253 1.00 0.00 N ATOM 685 CA VAL A 50 -8.627 -6.827 7.592 1.00 0.00 C ATOM 686 C VAL A 50 -7.128 -6.939 7.847 1.00 0.00 C ATOM 687 O VAL A 50 -6.664 -6.752 8.972 1.00 0.00 O ATOM 688 CB VAL A 50 -9.277 -8.207 7.805 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.794 -8.091 7.783 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.794 -9.192 6.752 1.00 0.00 C ATOM 0 H VAL A 50 -8.909 -7.028 5.524 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.061 -6.117 8.296 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.979 -8.583 8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.236 -9.076 7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.119 -7.420 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.115 -7.694 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.264 -10.162 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.060 -8.825 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.711 -9.297 6.821 1.00 0.00 H new ATOM 700 N ASP A 51 -6.375 -7.246 6.796 1.00 0.00 N ATOM 701 CA ASP A 51 -4.928 -7.382 6.906 1.00 0.00 C ATOM 702 C ASP A 51 -4.225 -6.635 5.777 1.00 0.00 C ATOM 703 O ASP A 51 -4.611 -6.742 4.614 1.00 0.00 O ATOM 704 CB ASP A 51 -4.529 -8.858 6.883 1.00 0.00 C ATOM 705 CG ASP A 51 -5.222 -9.662 7.966 1.00 0.00 C ATOM 706 OD1 ASP A 51 -5.471 -9.101 9.053 1.00 0.00 O ATOM 707 OD2 ASP A 51 -5.515 -10.852 7.726 1.00 0.00 O ATOM 0 H ASP A 51 -6.743 -7.405 5.858 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.618 -6.945 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.772 -9.282 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.449 -8.942 7.007 1.00 0.00 H new ATOM 712 N ALA A 52 -3.191 -5.877 6.129 1.00 0.00 N ATOM 713 CA ALA A 52 -2.433 -5.113 5.146 1.00 0.00 C ATOM 714 C ALA A 52 -0.934 -5.222 5.402 1.00 0.00 C ATOM 715 O ALA A 52 -0.469 -5.008 6.521 1.00 0.00 O ATOM 716 CB ALA A 52 -2.869 -3.655 5.161 1.00 0.00 C ATOM 0 H ALA A 52 -2.859 -5.776 7.088 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.637 -5.532 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.295 -3.096 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.930 -3.590 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.695 -3.233 6.151 1.00 0.00 H new ATOM 722 N ARG A 53 -0.183 -5.558 4.358 1.00 0.00 N ATOM 723 CA ARG A 53 1.264 -5.697 4.471 1.00 0.00 C ATOM 724 C ARG A 53 1.978 -4.706 3.558 1.00 0.00 C ATOM 725 O ARG A 53 1.455 -4.319 2.513 1.00 0.00 O ATOM 726 CB ARG A 53 1.689 -7.125 4.123 1.00 0.00 C ATOM 727 CG ARG A 53 0.996 -8.188 4.960 1.00 0.00 C ATOM 728 CD ARG A 53 1.602 -8.284 6.351 1.00 0.00 C ATOM 729 NE ARG A 53 0.620 -8.696 7.350 1.00 0.00 N ATOM 730 CZ ARG A 53 0.939 -9.290 8.494 1.00 0.00 C ATOM 731 NH1 ARG A 53 2.209 -9.538 8.784 1.00 0.00 N ATOM 732 NH2 ARG A 53 -0.012 -9.636 9.352 1.00 0.00 N ATOM 0 H ARG A 53 -0.553 -5.739 3.425 1.00 0.00 H new ATOM 0 HA ARG A 53 1.545 -5.482 5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.480 -7.311 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.767 -7.217 4.255 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.066 -7.955 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.074 -9.154 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.427 -8.997 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.020 -7.317 6.631 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.366 -8.518 7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.943 -9.272 8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.452 -9.994 9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.990 -9.446 9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.235 -10.092 10.230 1.00 0.00 H new ATOM 746 N PHE A 54 3.178 -4.297 3.960 1.00 0.00 N ATOM 747 CA PHE A 54 3.964 -3.349 3.179 1.00 0.00 C ATOM 748 C PHE A 54 5.447 -3.708 3.221 1.00 0.00 C ATOM 749 O PHE A 54 6.064 -3.720 4.286 1.00 0.00 O ATOM 750 CB PHE A 54 3.756 -1.927 3.704 1.00 0.00 C ATOM 751 CG PHE A 54 4.741 -1.531 4.766 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.542 -1.899 6.087 1.00 0.00 C ATOM 753 CD2 PHE A 54 5.866 -0.789 4.443 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.447 -1.536 7.066 1.00 0.00 C ATOM 755 CE2 PHE A 54 6.774 -0.423 5.419 1.00 0.00 C ATOM 756 CZ PHE A 54 6.564 -0.796 6.732 1.00 0.00 C ATOM 0 H PHE A 54 3.627 -4.608 4.822 1.00 0.00 H new ATOM 0 HA PHE A 54 3.625 -3.399 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.829 -1.227 2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.746 -1.840 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.669 -2.476 6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.035 -0.494 3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.281 -1.831 8.092 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.647 0.155 5.155 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.272 -0.510 7.496 1.00 0.00 H new ATOM 766 N LYS A 55 6.012 -4.000 2.055 1.00 0.00 N ATOM 767 CA LYS A 55 7.422 -4.358 1.956 1.00 0.00 C ATOM 768 C LYS A 55 8.137 -3.477 0.937 1.00 0.00 C ATOM 769 O LYS A 55 8.082 -3.731 -0.267 1.00 0.00 O ATOM 770 CB LYS A 55 7.569 -5.831 1.565 1.00 0.00 C ATOM 771 CG LYS A 55 8.787 -6.503 2.174 1.00 0.00 C ATOM 772 CD LYS A 55 10.008 -5.600 2.120 1.00 0.00 C ATOM 773 CE LYS A 55 11.083 -6.057 3.094 1.00 0.00 C ATOM 774 NZ LYS A 55 10.949 -5.392 4.419 1.00 0.00 N ATOM 0 H LYS A 55 5.515 -3.996 1.164 1.00 0.00 H new ATOM 0 HA LYS A 55 7.881 -4.200 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.674 -6.371 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.628 -5.906 0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.576 -6.770 3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.996 -7.431 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.412 -5.593 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.715 -4.576 2.354 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.021 -7.138 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.067 -5.841 2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.700 -5.730 5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.033 -4.362 4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.020 -5.619 4.829 1.00 0.00 H new ATOM 788 N THR A 56 8.810 -2.440 1.426 1.00 0.00 N ATOM 789 CA THR A 56 9.536 -1.522 0.559 1.00 0.00 C ATOM 790 C THR A 56 10.983 -1.965 0.377 1.00 0.00 C ATOM 791 O THR A 56 11.566 -2.593 1.262 1.00 0.00 O ATOM 792 CB THR A 56 9.517 -0.087 1.118 1.00 0.00 C ATOM 793 OG1 THR A 56 8.166 0.347 1.309 1.00 0.00 O ATOM 794 CG2 THR A 56 10.234 0.870 0.178 1.00 0.00 C ATOM 0 H THR A 56 8.867 -2.215 2.419 1.00 0.00 H new ATOM 0 HA THR A 56 9.031 -1.534 -0.407 1.00 0.00 H new ATOM 0 HB THR A 56 10.037 -0.088 2.076 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.871 0.110 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.207 1.877 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.270 0.554 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.739 0.866 -0.793 1.00 0.00 H new ATOM 802 N PHE A 57 11.559 -1.634 -0.774 1.00 0.00 N ATOM 803 CA PHE A 57 12.939 -1.999 -1.071 1.00 0.00 C ATOM 804 C PHE A 57 13.682 -0.834 -1.719 1.00 0.00 C ATOM 805 O PHE A 57 13.427 -0.484 -2.870 1.00 0.00 O ATOM 806 CB PHE A 57 12.979 -3.220 -1.993 1.00 0.00 C ATOM 807 CG PHE A 57 12.628 -4.505 -1.301 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.477 -5.052 -0.353 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.448 -5.168 -1.600 1.00 0.00 C ATOM 810 CE1 PHE A 57 13.156 -6.235 0.286 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.122 -6.351 -0.964 1.00 0.00 C ATOM 812 CZ PHE A 57 11.977 -6.886 -0.021 1.00 0.00 C ATOM 0 H PHE A 57 11.091 -1.114 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 57 13.434 -2.245 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.288 -3.062 -2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 57 13.977 -3.309 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.401 -4.548 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 57 10.776 -4.756 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.826 -6.650 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.199 -6.857 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.725 -7.811 0.475 1.00 0.00 H new ATOM 822 N GLY A 58 14.603 -0.237 -0.968 1.00 0.00 N ATOM 823 CA GLY A 58 15.369 0.883 -1.484 1.00 0.00 C ATOM 824 C GLY A 58 15.518 1.999 -0.470 1.00 0.00 C ATOM 825 O GLY A 58 15.715 1.746 0.719 1.00 0.00 O ATOM 0 H GLY A 58 14.832 -0.509 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.357 0.535 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.882 1.271 -2.378 1.00 0.00 H new ATOM 829 N CYS A 59 15.427 3.239 -0.939 1.00 0.00 N ATOM 830 CA CYS A 59 15.556 4.400 -0.066 1.00 0.00 C ATOM 831 C CYS A 59 14.586 4.307 1.108 1.00 0.00 C ATOM 832 O CYS A 59 13.645 3.514 1.089 1.00 0.00 O ATOM 833 CB CYS A 59 15.299 5.687 -0.853 1.00 0.00 C ATOM 834 SG CYS A 59 13.535 6.063 -1.109 1.00 0.00 S ATOM 0 H CYS A 59 15.264 3.466 -1.920 1.00 0.00 H new ATOM 0 HA CYS A 59 16.573 4.418 0.326 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.765 6.521 -0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.788 5.610 -1.824 1.00 0.00 H new ATOM 0 HG CYS A 59 13.110 5.446 -2.171 1.00 0.00 H new ATOM 839 N GLY A 60 14.823 5.123 2.131 1.00 0.00 N ATOM 840 CA GLY A 60 13.963 5.117 3.300 1.00 0.00 C ATOM 841 C GLY A 60 12.628 5.787 3.040 1.00 0.00 C ATOM 842 O GLY A 60 11.574 5.189 3.255 1.00 0.00 O ATOM 0 H GLY A 60 15.595 5.788 2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.794 4.088 3.618 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.468 5.626 4.121 1.00 0.00 H new ATOM 846 N SER A 61 12.672 7.032 2.579 1.00 0.00 N ATOM 847 CA SER A 61 11.457 7.786 2.295 1.00 0.00 C ATOM 848 C SER A 61 10.366 6.872 1.745 1.00 0.00 C ATOM 849 O SER A 61 9.191 7.021 2.076 1.00 0.00 O ATOM 850 CB SER A 61 11.749 8.908 1.297 1.00 0.00 C ATOM 851 OG SER A 61 12.660 9.849 1.838 1.00 0.00 O ATOM 0 H SER A 61 13.537 7.541 2.394 1.00 0.00 H new ATOM 0 HA SER A 61 11.104 8.223 3.229 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.160 8.485 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.820 9.410 1.028 1.00 0.00 H new ATOM 0 HG SER A 61 12.304 10.754 1.720 1.00 0.00 H new ATOM 857 N ALA A 62 10.766 5.924 0.903 1.00 0.00 N ATOM 858 CA ALA A 62 9.825 4.984 0.308 1.00 0.00 C ATOM 859 C ALA A 62 9.304 3.997 1.348 1.00 0.00 C ATOM 860 O ALA A 62 8.107 3.709 1.398 1.00 0.00 O ATOM 861 CB ALA A 62 10.480 4.240 -0.846 1.00 0.00 C ATOM 0 H ALA A 62 11.736 5.787 0.618 1.00 0.00 H new ATOM 0 HA ALA A 62 8.976 5.551 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.765 3.541 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.798 4.954 -1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.347 3.691 -0.479 1.00 0.00 H new ATOM 867 N ILE A 63 10.208 3.483 2.174 1.00 0.00 N ATOM 868 CA ILE A 63 9.838 2.529 3.213 1.00 0.00 C ATOM 869 C ILE A 63 8.850 3.145 4.198 1.00 0.00 C ATOM 870 O ILE A 63 7.894 2.496 4.620 1.00 0.00 O ATOM 871 CB ILE A 63 11.073 2.031 3.985 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.101 1.439 3.019 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.666 1.002 5.029 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.504 1.390 3.584 1.00 0.00 C ATOM 0 H ILE A 63 11.202 3.711 2.145 1.00 0.00 H new ATOM 0 HA ILE A 63 9.368 1.683 2.712 1.00 0.00 H new ATOM 0 HB ILE A 63 11.529 2.879 4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.792 0.430 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.108 2.029 2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.550 0.660 5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.967 1.454 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.189 0.154 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.179 0.959 2.845 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.833 2.400 3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.512 0.776 4.485 1.00 0.00 H new ATOM 886 N ALA A 64 9.088 4.402 4.558 1.00 0.00 N ATOM 887 CA ALA A 64 8.218 5.107 5.491 1.00 0.00 C ATOM 888 C ALA A 64 6.844 5.358 4.877 1.00 0.00 C ATOM 889 O ALA A 64 5.838 4.823 5.343 1.00 0.00 O ATOM 890 CB ALA A 64 8.855 6.421 5.918 1.00 0.00 C ATOM 0 H ALA A 64 9.876 4.953 4.218 1.00 0.00 H new ATOM 0 HA ALA A 64 8.085 4.478 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.194 6.936 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.810 6.221 6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.018 7.048 5.041 1.00 0.00 H new ATOM 896 N SER A 65 6.810 6.176 3.830 1.00 0.00 N ATOM 897 CA SER A 65 5.559 6.502 3.155 1.00 0.00 C ATOM 898 C SER A 65 4.631 5.291 3.118 1.00 0.00 C ATOM 899 O SER A 65 3.428 5.410 3.351 1.00 0.00 O ATOM 900 CB SER A 65 5.835 6.991 1.732 1.00 0.00 C ATOM 901 OG SER A 65 6.170 8.367 1.722 1.00 0.00 O ATOM 0 H SER A 65 7.634 6.625 3.431 1.00 0.00 H new ATOM 0 HA SER A 65 5.068 7.298 3.716 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.650 6.412 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.956 6.823 1.109 1.00 0.00 H new ATOM 0 HG SER A 65 6.343 8.655 0.801 1.00 0.00 H new ATOM 907 N SER A 66 5.199 4.126 2.824 1.00 0.00 N ATOM 908 CA SER A 66 4.423 2.894 2.753 1.00 0.00 C ATOM 909 C SER A 66 3.858 2.527 4.122 1.00 0.00 C ATOM 910 O SER A 66 2.642 2.469 4.308 1.00 0.00 O ATOM 911 CB SER A 66 5.291 1.750 2.224 1.00 0.00 C ATOM 912 OG SER A 66 6.021 2.152 1.078 1.00 0.00 O ATOM 0 H SER A 66 6.194 4.010 2.631 1.00 0.00 H new ATOM 0 HA SER A 66 3.591 3.057 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.981 1.423 3.002 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.661 0.896 1.977 1.00 0.00 H new ATOM 0 HG SER A 66 6.884 1.689 1.061 1.00 0.00 H new ATOM 918 N SER A 67 4.749 2.281 5.076 1.00 0.00 N ATOM 919 CA SER A 67 4.341 1.916 6.428 1.00 0.00 C ATOM 920 C SER A 67 3.111 2.711 6.857 1.00 0.00 C ATOM 921 O SER A 67 2.124 2.144 7.329 1.00 0.00 O ATOM 922 CB SER A 67 5.486 2.158 7.412 1.00 0.00 C ATOM 923 OG SER A 67 5.148 1.700 8.710 1.00 0.00 O ATOM 0 H SER A 67 5.759 2.328 4.938 1.00 0.00 H new ATOM 0 HA SER A 67 4.087 0.856 6.431 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.383 1.646 7.064 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.720 3.222 7.448 1.00 0.00 H new ATOM 0 HG SER A 67 5.897 1.865 9.320 1.00 0.00 H new ATOM 929 N LEU A 68 3.177 4.027 6.689 1.00 0.00 N ATOM 930 CA LEU A 68 2.069 4.902 7.058 1.00 0.00 C ATOM 931 C LEU A 68 0.851 4.639 6.179 1.00 0.00 C ATOM 932 O LEU A 68 -0.288 4.738 6.633 1.00 0.00 O ATOM 933 CB LEU A 68 2.491 6.368 6.942 1.00 0.00 C ATOM 934 CG LEU A 68 1.357 7.394 6.944 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.831 8.711 7.539 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.825 7.604 5.534 1.00 0.00 C ATOM 0 H LEU A 68 3.986 4.512 6.300 1.00 0.00 H new ATOM 0 HA LEU A 68 1.799 4.689 8.092 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.164 6.598 7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.062 6.489 6.022 1.00 0.00 H new ATOM 0 HG LEU A 68 0.546 7.010 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.011 9.429 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.163 8.548 8.564 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.659 9.100 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.019 8.337 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.628 7.966 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.446 6.659 5.144 1.00 0.00 H new ATOM 948 N ALA A 69 1.100 4.303 4.917 1.00 0.00 N ATOM 949 CA ALA A 69 0.025 4.021 3.975 1.00 0.00 C ATOM 950 C ALA A 69 -0.673 2.708 4.314 1.00 0.00 C ATOM 951 O ALA A 69 -1.837 2.697 4.717 1.00 0.00 O ATOM 952 CB ALA A 69 0.565 3.982 2.553 1.00 0.00 C ATOM 0 H ALA A 69 2.038 4.220 4.524 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.710 4.823 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.249 3.770 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.010 4.946 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.322 3.202 2.472 1.00 0.00 H new ATOM 958 N THR A 70 0.045 1.602 4.148 1.00 0.00 N ATOM 959 CA THR A 70 -0.505 0.283 4.434 1.00 0.00 C ATOM 960 C THR A 70 -1.242 0.273 5.769 1.00 0.00 C ATOM 961 O THR A 70 -2.164 -0.516 5.972 1.00 0.00 O ATOM 962 CB THR A 70 0.597 -0.792 4.461 1.00 0.00 C ATOM 963 OG1 THR A 70 0.015 -2.094 4.339 1.00 0.00 O ATOM 964 CG2 THR A 70 1.402 -0.710 5.750 1.00 0.00 C ATOM 0 H THR A 70 1.010 1.594 3.817 1.00 0.00 H new ATOM 0 HA THR A 70 -1.207 0.053 3.632 1.00 0.00 H new ATOM 0 HB THR A 70 1.267 -0.614 3.620 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.574 -2.747 4.809 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.174 -1.479 5.746 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.868 0.272 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.741 -0.864 6.602 1.00 0.00 H new ATOM 972 N GLU A 71 -0.830 1.155 6.674 1.00 0.00 N ATOM 973 CA GLU A 71 -1.452 1.246 7.989 1.00 0.00 C ATOM 974 C GLU A 71 -2.799 1.959 7.906 1.00 0.00 C ATOM 975 O GLU A 71 -3.728 1.643 8.650 1.00 0.00 O ATOM 976 CB GLU A 71 -0.532 1.984 8.964 1.00 0.00 C ATOM 977 CG GLU A 71 -1.170 2.259 10.315 1.00 0.00 C ATOM 978 CD GLU A 71 -0.153 2.334 11.436 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.896 2.984 11.245 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.406 1.742 12.507 1.00 0.00 O ATOM 0 H GLU A 71 -0.069 1.816 6.520 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.618 0.232 8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.373 1.395 9.112 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.227 2.930 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.722 3.197 10.267 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.893 1.474 10.538 1.00 0.00 H new ATOM 987 N TRP A 72 -2.897 2.921 6.996 1.00 0.00 N ATOM 988 CA TRP A 72 -4.130 3.679 6.815 1.00 0.00 C ATOM 989 C TRP A 72 -5.225 2.803 6.219 1.00 0.00 C ATOM 990 O TRP A 72 -6.399 2.936 6.568 1.00 0.00 O ATOM 991 CB TRP A 72 -3.880 4.889 5.913 1.00 0.00 C ATOM 992 CG TRP A 72 -3.223 6.034 6.623 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.890 6.095 7.946 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.820 7.282 6.048 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.304 7.306 8.228 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.249 8.052 7.080 1.00 0.00 C ATOM 997 CE3 TRP A 72 -2.885 7.823 4.761 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.749 9.333 6.863 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.388 9.094 4.547 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -1.825 9.837 5.594 1.00 0.00 C ATOM 0 H TRP A 72 -2.138 3.195 6.372 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.461 4.026 7.794 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.255 4.584 5.074 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.830 5.226 5.497 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -3.062 5.308 8.665 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.965 7.601 9.144 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.316 7.257 3.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.316 9.908 7.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.434 9.522 3.557 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.444 10.827 5.394 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.836 1.906 5.319 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.786 1.006 4.675 1.00 0.00 C ATOM 1013 C VAL A 73 -6.382 0.027 5.680 1.00 0.00 C ATOM 1014 O VAL A 73 -7.465 -0.518 5.466 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.123 0.214 3.533 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.458 1.158 2.543 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.118 -0.783 4.090 1.00 0.00 C ATOM 0 H VAL A 73 -3.869 1.783 5.019 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.581 1.627 4.262 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.897 -0.342 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.995 0.580 1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.207 1.828 2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.695 1.744 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.659 -1.334 3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.346 -0.250 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.628 -1.480 4.755 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.667 -0.194 6.778 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.125 -1.107 7.819 1.00 0.00 C ATOM 1029 C LYS A 74 -7.447 -0.634 8.415 1.00 0.00 C ATOM 1030 O LYS A 74 -7.566 0.508 8.857 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.070 -1.226 8.921 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.709 -1.670 8.415 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.759 -1.973 9.562 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.386 -2.384 9.054 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.305 -2.004 10.006 1.00 0.00 N ATOM 0 H LYS A 74 -4.768 0.247 6.970 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.281 -2.086 7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.966 -0.262 9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.419 -1.936 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.823 -2.557 7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.282 -0.890 7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.664 -1.094 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.174 -2.770 10.179 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.366 -3.462 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.201 -1.914 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.615 -2.301 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.307 -0.973 10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.467 -2.472 10.920 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.438 -1.520 8.424 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.738 -1.174 8.969 1.00 0.00 C ATOM 1051 C GLY A 75 -10.645 -0.530 7.941 1.00 0.00 C ATOM 1052 O GLY A 75 -11.868 -0.656 8.014 1.00 0.00 O ATOM 0 H GLY A 75 -8.364 -2.471 8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.216 -2.073 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.606 -0.493 9.810 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.047 0.165 6.979 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.809 0.833 5.930 1.00 0.00 C ATOM 1058 C LYS A 76 -11.168 -0.143 4.814 1.00 0.00 C ATOM 1059 O LYS A 76 -10.568 -1.211 4.691 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.009 2.006 5.359 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.370 2.881 6.423 1.00 0.00 C ATOM 1062 CD LYS A 76 -8.944 4.225 5.857 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.958 5.312 6.178 1.00 0.00 C ATOM 1064 NZ LYS A 76 -11.348 4.885 5.856 1.00 0.00 N ATOM 0 H LYS A 76 -9.036 0.280 6.904 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.732 1.211 6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.230 1.618 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.668 2.619 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.075 3.036 7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.503 2.371 6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.972 4.501 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.825 4.145 4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.893 5.569 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.715 6.213 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.966 5.720 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.357 4.397 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.693 4.239 6.595 1.00 0.00 H new ATOM 1078 N THR A 77 -12.150 0.232 3.999 1.00 0.00 N ATOM 1079 CA THR A 77 -12.589 -0.609 2.893 1.00 0.00 C ATOM 1080 C THR A 77 -11.888 -0.220 1.596 1.00 0.00 C ATOM 1081 O THR A 77 -11.428 0.911 1.442 1.00 0.00 O ATOM 1082 CB THR A 77 -14.113 -0.517 2.688 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.470 0.799 2.251 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.853 -0.848 3.975 1.00 0.00 C ATOM 0 H THR A 77 -12.656 1.113 4.085 1.00 0.00 H new ATOM 0 HA THR A 77 -12.326 -1.635 3.151 1.00 0.00 H new ATOM 0 HB THR A 77 -14.399 -1.242 1.926 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.440 0.849 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.927 -0.776 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.602 -1.861 4.289 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.561 -0.144 4.754 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.812 -1.165 0.664 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.169 -0.921 -0.621 1.00 0.00 C ATOM 1094 C VAL A 78 -11.585 0.428 -1.196 1.00 0.00 C ATOM 1095 O VAL A 78 -10.746 1.205 -1.651 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.509 -2.027 -1.638 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.032 -3.381 -1.134 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.004 -2.051 -1.919 1.00 0.00 C ATOM 0 H VAL A 78 -12.188 -2.107 0.775 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.094 -0.921 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.990 -1.810 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.281 -4.150 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.952 -3.355 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.521 -3.610 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.226 -2.838 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.545 -2.244 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.313 -1.088 -2.326 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.886 0.699 -1.173 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.413 1.955 -1.693 1.00 0.00 C ATOM 1110 C GLU A 79 -12.718 3.148 -1.043 1.00 0.00 C ATOM 1111 O GLU A 79 -12.331 4.099 -1.722 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.922 2.039 -1.454 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.696 0.866 -2.032 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.005 0.616 -1.308 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.696 1.601 -0.974 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.337 -0.565 -1.075 1.00 0.00 O ATOM 0 H GLU A 79 -13.594 0.066 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.220 1.983 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.109 2.094 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.300 2.963 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.899 1.054 -3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.080 -0.032 -1.981 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.563 3.089 0.276 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.915 4.164 1.017 1.00 0.00 C ATOM 1125 C GLU A 80 -10.467 4.339 0.569 1.00 0.00 C ATOM 1126 O GLU A 80 -10.010 5.457 0.333 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.965 3.880 2.520 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.374 3.701 3.060 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.184 4.982 3.010 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -14.393 5.509 1.897 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -14.609 5.458 4.084 1.00 0.00 O ATOM 0 H GLU A 80 -12.877 2.309 0.853 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.455 5.088 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.387 2.980 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.483 4.700 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.885 2.930 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.322 3.348 4.090 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.751 3.225 0.455 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.356 3.254 0.034 1.00 0.00 C ATOM 1140 C ALA A 81 -8.200 3.974 -1.301 1.00 0.00 C ATOM 1141 O ALA A 81 -7.337 4.839 -1.454 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.803 1.839 -0.059 1.00 0.00 C ATOM 0 H ALA A 81 -10.114 2.292 0.648 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.788 3.806 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.760 1.876 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.870 1.357 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.382 1.269 -0.786 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.039 3.611 -2.265 1.00 0.00 N ATOM 1149 CA LEU A 82 -8.994 4.222 -3.589 1.00 0.00 C ATOM 1150 C LEU A 82 -9.022 5.743 -3.487 1.00 0.00 C ATOM 1151 O LEU A 82 -8.497 6.444 -4.353 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.169 3.734 -4.437 1.00 0.00 C ATOM 1153 CG LEU A 82 -9.892 2.530 -5.339 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.822 2.867 -6.365 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.476 1.326 -4.508 1.00 0.00 C ATOM 0 H LEU A 82 -9.759 2.897 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.061 3.926 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.992 3.481 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.508 4.560 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.810 2.280 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.638 1.999 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.159 3.700 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.901 3.144 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.283 0.479 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.571 1.565 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.275 1.070 -3.812 1.00 0.00 H new ATOM 1167 N THR A 83 -9.636 6.249 -2.423 1.00 0.00 N ATOM 1168 CA THR A 83 -9.732 7.687 -2.207 1.00 0.00 C ATOM 1169 C THR A 83 -8.438 8.243 -1.624 1.00 0.00 C ATOM 1170 O THR A 83 -8.042 9.369 -1.928 1.00 0.00 O ATOM 1171 CB THR A 83 -10.898 8.038 -1.264 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.500 7.851 0.099 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.115 7.175 -1.564 1.00 0.00 C ATOM 0 H THR A 83 -10.075 5.684 -1.696 1.00 0.00 H new ATOM 0 HA THR A 83 -9.914 8.141 -3.181 1.00 0.00 H new ATOM 0 HB THR A 83 -11.164 9.083 -1.425 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.068 6.977 0.197 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.926 7.441 -0.886 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.434 7.341 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.858 6.124 -1.429 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.782 7.447 -0.786 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.531 7.860 -0.163 1.00 0.00 C ATOM 1183 C ILE A 84 -5.583 8.475 -1.187 1.00 0.00 C ATOM 1184 O ILE A 84 -5.001 7.770 -2.013 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.827 6.676 0.526 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.678 6.152 1.685 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.450 7.093 1.020 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -6.042 5.000 2.429 1.00 0.00 C ATOM 0 H ILE A 84 -8.096 6.513 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.785 8.608 0.588 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.703 5.874 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.865 6.967 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.647 5.834 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.965 6.245 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.845 7.423 0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.552 7.910 1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.701 4.680 3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.880 4.169 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.086 5.319 2.845 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.429 9.793 -1.126 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.549 10.504 -2.046 1.00 0.00 C ATOM 1202 C LYS A 85 -3.108 10.479 -1.548 1.00 0.00 C ATOM 1203 O LYS A 85 -2.831 10.014 -0.444 1.00 0.00 O ATOM 1204 CB LYS A 85 -5.017 11.952 -2.215 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.523 12.093 -2.344 1.00 0.00 C ATOM 1206 CD LYS A 85 -7.037 11.448 -3.620 1.00 0.00 C ATOM 1207 CE LYS A 85 -6.501 12.154 -4.857 1.00 0.00 C ATOM 1208 NZ LYS A 85 -5.213 11.564 -5.317 1.00 0.00 N ATOM 0 H LYS A 85 -5.902 10.391 -0.449 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.590 10.000 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.678 12.537 -1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.544 12.377 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.007 11.633 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.792 13.149 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.743 10.399 -3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.127 11.474 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.237 12.091 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.358 13.212 -4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.427 12.183 -5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.088 10.626 -4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.224 11.471 -6.353 1.00 0.00 H new ATOM 1222 N ASN A 86 -2.194 10.985 -2.370 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.780 11.021 -2.012 1.00 0.00 C ATOM 1224 C ASN A 86 -0.427 12.336 -1.324 1.00 0.00 C ATOM 1225 O ASN A 86 0.265 12.351 -0.305 1.00 0.00 O ATOM 1226 CB ASN A 86 0.088 10.836 -3.259 1.00 0.00 C ATOM 1227 CG ASN A 86 0.276 12.128 -4.030 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -0.671 12.662 -4.608 1.00 0.00 O ATOM 1229 ND2 ASN A 86 1.502 12.636 -4.042 1.00 0.00 N ATOM 0 H ASN A 86 -2.407 11.376 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.585 10.204 -1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.063 10.446 -2.965 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.370 10.091 -3.910 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.690 13.504 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.257 12.159 -3.549 1.00 0.00 H new ATOM 1236 N THR A 87 -0.907 13.441 -1.888 1.00 0.00 N ATOM 1237 CA THR A 87 -0.642 14.761 -1.330 1.00 0.00 C ATOM 1238 C THR A 87 -0.684 14.732 0.194 1.00 0.00 C ATOM 1239 O THR A 87 0.034 15.479 0.858 1.00 0.00 O ATOM 1240 CB THR A 87 -1.657 15.801 -1.841 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.965 15.492 -1.346 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.679 15.834 -3.361 1.00 0.00 C ATOM 0 H THR A 87 -1.481 13.447 -2.731 1.00 0.00 H new ATOM 0 HA THR A 87 0.357 15.048 -1.658 1.00 0.00 H new ATOM 0 HB THR A 87 -1.353 16.783 -1.477 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.605 16.158 -1.674 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.403 16.576 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.689 16.098 -3.734 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.961 14.852 -3.742 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.529 13.866 0.742 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.664 13.739 2.188 1.00 0.00 C ATOM 1252 C ASP A 88 -0.422 13.092 2.794 1.00 0.00 C ATOM 1253 O ASP A 88 0.120 13.577 3.788 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.905 12.915 2.536 1.00 0.00 C ATOM 1255 CG ASP A 88 -3.350 13.117 3.971 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -2.636 12.652 4.885 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -4.411 13.740 4.181 1.00 0.00 O ATOM 0 H ASP A 88 -2.131 13.241 0.206 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.773 14.739 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.719 13.188 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.695 11.859 2.369 1.00 0.00 H new ATOM 1262 N ILE A 89 0.022 11.995 2.191 1.00 0.00 N ATOM 1263 CA ILE A 89 1.199 11.282 2.672 1.00 0.00 C ATOM 1264 C ILE A 89 2.437 12.170 2.623 1.00 0.00 C ATOM 1265 O ILE A 89 3.009 12.512 3.658 1.00 0.00 O ATOM 1266 CB ILE A 89 1.462 10.008 1.847 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.283 9.041 1.972 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.752 9.341 2.299 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.333 7.897 0.983 1.00 0.00 C ATOM 0 H ILE A 89 -0.415 11.580 1.368 1.00 0.00 H new ATOM 0 HA ILE A 89 0.997 11.000 3.705 1.00 0.00 H new ATOM 0 HB ILE A 89 1.569 10.287 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.262 8.636 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.646 9.593 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.924 8.442 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.585 10.030 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.673 9.072 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.533 7.252 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.323 8.293 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.245 7.321 1.139 1.00 0.00 H new ATOM 1281 N ALA A 90 2.845 12.542 1.414 1.00 0.00 N ATOM 1282 CA ALA A 90 4.013 13.395 1.230 1.00 0.00 C ATOM 1283 C ALA A 90 4.119 14.428 2.347 1.00 0.00 C ATOM 1284 O ALA A 90 5.180 14.602 2.947 1.00 0.00 O ATOM 1285 CB ALA A 90 3.956 14.083 -0.125 1.00 0.00 C ATOM 0 H ALA A 90 2.384 12.266 0.547 1.00 0.00 H new ATOM 0 HA ALA A 90 4.902 12.765 1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.834 14.717 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.937 13.331 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.056 14.695 -0.185 1.00 0.00 H new ATOM 1291 N LYS A 91 3.014 15.114 2.619 1.00 0.00 N ATOM 1292 CA LYS A 91 2.982 16.130 3.664 1.00 0.00 C ATOM 1293 C LYS A 91 3.100 15.495 5.046 1.00 0.00 C ATOM 1294 O LYS A 91 3.953 15.880 5.844 1.00 0.00 O ATOM 1295 CB LYS A 91 1.688 16.943 3.574 1.00 0.00 C ATOM 1296 CG LYS A 91 1.778 18.305 4.240 1.00 0.00 C ATOM 1297 CD LYS A 91 0.669 19.231 3.768 1.00 0.00 C ATOM 1298 CE LYS A 91 0.508 20.425 4.696 1.00 0.00 C ATOM 1299 NZ LYS A 91 -0.744 21.181 4.414 1.00 0.00 N ATOM 0 H LYS A 91 2.128 14.985 2.130 1.00 0.00 H new ATOM 0 HA LYS A 91 3.833 16.794 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.426 17.078 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.879 16.375 4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.719 18.187 5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.747 18.755 4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.889 19.580 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.270 18.680 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.500 20.082 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.366 21.089 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.817 21.987 5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.726 21.530 3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.564 20.555 4.543 1.00 0.00 H new ATOM 1313 N GLU A 92 2.240 14.519 5.319 1.00 0.00 N ATOM 1314 CA GLU A 92 2.250 13.831 6.604 1.00 0.00 C ATOM 1315 C GLU A 92 3.679 13.564 7.068 1.00 0.00 C ATOM 1316 O GLU A 92 4.046 13.882 8.199 1.00 0.00 O ATOM 1317 CB GLU A 92 1.479 12.512 6.508 1.00 0.00 C ATOM 1318 CG GLU A 92 0.821 12.095 7.812 1.00 0.00 C ATOM 1319 CD GLU A 92 0.083 13.236 8.485 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.587 14.011 7.770 1.00 0.00 O ATOM 1321 OE2 GLU A 92 0.175 13.355 9.724 1.00 0.00 O ATOM 0 H GLU A 92 1.528 14.187 4.668 1.00 0.00 H new ATOM 0 HA GLU A 92 1.763 14.476 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.713 12.604 5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.161 11.725 6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.123 11.280 7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.581 11.709 8.491 1.00 0.00 H new ATOM 1328 N LEU A 93 4.481 12.977 6.186 1.00 0.00 N ATOM 1329 CA LEU A 93 5.870 12.666 6.503 1.00 0.00 C ATOM 1330 C LEU A 93 6.746 13.911 6.392 1.00 0.00 C ATOM 1331 O LEU A 93 7.824 13.978 6.984 1.00 0.00 O ATOM 1332 CB LEU A 93 6.395 11.575 5.569 1.00 0.00 C ATOM 1333 CG LEU A 93 5.776 10.188 5.743 1.00 0.00 C ATOM 1334 CD1 LEU A 93 4.264 10.255 5.591 1.00 0.00 C ATOM 1335 CD2 LEU A 93 6.371 9.208 4.742 1.00 0.00 C ATOM 0 H LEU A 93 4.193 12.707 5.246 1.00 0.00 H new ATOM 0 HA LEU A 93 5.910 12.306 7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.233 11.897 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.472 11.491 5.711 1.00 0.00 H new ATOM 0 HG LEU A 93 6.005 9.833 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.841 9.258 5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.852 10.923 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.014 10.631 4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.918 8.226 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.174 9.558 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.447 9.137 4.898 1.00 0.00 H new ATOM 1347 N CYS A 94 6.274 14.894 5.633 1.00 0.00 N ATOM 1348 CA CYS A 94 7.013 16.137 5.446 1.00 0.00 C ATOM 1349 C CYS A 94 8.304 15.891 4.671 1.00 0.00 C ATOM 1350 O CYS A 94 9.351 16.455 4.992 1.00 0.00 O ATOM 1351 CB CYS A 94 7.331 16.775 6.799 1.00 0.00 C ATOM 1352 SG CYS A 94 7.535 18.570 6.740 1.00 0.00 S ATOM 0 H CYS A 94 5.383 14.854 5.138 1.00 0.00 H new ATOM 0 HA CYS A 94 6.388 16.818 4.869 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.531 16.534 7.499 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.244 16.329 7.193 1.00 0.00 H new ATOM 0 HG CYS A 94 7.799 19.016 7.932 1.00 0.00 H new ATOM 1358 N LEU A 95 8.222 15.045 3.650 1.00 0.00 N ATOM 1359 CA LEU A 95 9.384 14.722 2.829 1.00 0.00 C ATOM 1360 C LEU A 95 9.646 15.818 1.801 1.00 0.00 C ATOM 1361 O LEU A 95 8.743 16.550 1.394 1.00 0.00 O ATOM 1362 CB LEU A 95 9.177 13.382 2.121 1.00 0.00 C ATOM 1363 CG LEU A 95 7.933 13.275 1.238 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.256 13.683 -0.191 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.372 11.861 1.277 1.00 0.00 C ATOM 0 H LEU A 95 7.363 14.570 3.371 1.00 0.00 H new ATOM 0 HA LEU A 95 10.252 14.649 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 95 10.054 13.180 1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.130 12.598 2.877 1.00 0.00 H new ATOM 0 HG LEU A 95 7.176 13.956 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.359 13.600 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.611 14.714 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.030 13.028 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.487 11.803 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.125 11.161 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.102 11.605 2.301 1.00 0.00 H new ATOM 1377 N PRO A 96 10.910 15.934 1.369 1.00 0.00 N ATOM 1378 CA PRO A 96 11.320 16.937 0.380 1.00 0.00 C ATOM 1379 C PRO A 96 10.768 16.639 -1.010 1.00 0.00 C ATOM 1380 O PRO A 96 10.213 15.571 -1.268 1.00 0.00 O ATOM 1381 CB PRO A 96 12.847 16.834 0.383 1.00 0.00 C ATOM 1382 CG PRO A 96 13.132 15.445 0.841 1.00 0.00 C ATOM 1383 CD PRO A 96 12.037 15.096 1.811 1.00 0.00 C ATOM 0 HA PRO A 96 10.946 17.931 0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.258 17.016 -0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.292 17.571 1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.144 14.752 0.000 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.110 15.384 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.789 14.035 1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.324 15.319 2.839 1.00 0.00 H new ATOM 1391 N PRO A 97 10.922 17.605 -1.928 1.00 0.00 N ATOM 1392 CA PRO A 97 10.447 17.469 -3.308 1.00 0.00 C ATOM 1393 C PRO A 97 11.256 16.448 -4.102 1.00 0.00 C ATOM 1394 O PRO A 97 10.854 16.033 -5.188 1.00 0.00 O ATOM 1395 CB PRO A 97 10.638 18.872 -3.889 1.00 0.00 C ATOM 1396 CG PRO A 97 11.728 19.475 -3.072 1.00 0.00 C ATOM 1397 CD PRO A 97 11.574 18.904 -1.690 1.00 0.00 C ATOM 0 HA PRO A 97 9.418 17.112 -3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.911 18.830 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.721 19.457 -3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.706 19.233 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.648 20.562 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.538 18.785 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.966 19.548 -1.055 1.00 0.00 H new ATOM 1405 N VAL A 98 12.398 16.048 -3.552 1.00 0.00 N ATOM 1406 CA VAL A 98 13.263 15.075 -4.208 1.00 0.00 C ATOM 1407 C VAL A 98 12.812 13.650 -3.910 1.00 0.00 C ATOM 1408 O VAL A 98 13.019 12.740 -4.713 1.00 0.00 O ATOM 1409 CB VAL A 98 14.730 15.241 -3.768 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.864 15.029 -2.268 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.627 14.280 -4.533 1.00 0.00 C ATOM 0 H VAL A 98 12.746 16.383 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 98 13.190 15.259 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 98 15.048 16.258 -3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.907 15.150 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.252 15.761 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.529 14.024 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.660 14.411 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.313 13.255 -4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.552 14.485 -5.601 1.00 0.00 H new ATOM 1421 N LYS A 99 12.193 13.462 -2.749 1.00 0.00 N ATOM 1422 CA LYS A 99 11.710 12.147 -2.343 1.00 0.00 C ATOM 1423 C LYS A 99 10.211 12.017 -2.594 1.00 0.00 C ATOM 1424 O LYS A 99 9.522 11.253 -1.917 1.00 0.00 O ATOM 1425 CB LYS A 99 12.013 11.904 -0.863 1.00 0.00 C ATOM 1426 CG LYS A 99 13.479 12.079 -0.506 1.00 0.00 C ATOM 1427 CD LYS A 99 14.326 10.941 -1.051 1.00 0.00 C ATOM 1428 CE LYS A 99 14.859 11.259 -2.440 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.176 10.610 -2.690 1.00 0.00 N ATOM 0 H LYS A 99 12.014 14.204 -2.072 1.00 0.00 H new ATOM 0 HA LYS A 99 12.227 11.397 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.417 12.590 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.701 10.894 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.841 13.026 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.587 12.128 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.160 10.750 -0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.731 10.029 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.141 10.925 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.959 12.339 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.506 10.851 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.868 10.947 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.076 9.578 -2.608 1.00 0.00 H new ATOM 1443 N LEU A 100 9.712 12.767 -3.570 1.00 0.00 N ATOM 1444 CA LEU A 100 8.294 12.734 -3.912 1.00 0.00 C ATOM 1445 C LEU A 100 7.905 11.378 -4.491 1.00 0.00 C ATOM 1446 O LEU A 100 6.875 10.809 -4.130 1.00 0.00 O ATOM 1447 CB LEU A 100 7.965 13.843 -4.912 1.00 0.00 C ATOM 1448 CG LEU A 100 7.588 15.198 -4.312 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.521 16.262 -5.397 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.261 15.104 -3.573 1.00 0.00 C ATOM 0 H LEU A 100 10.268 13.406 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 100 7.721 12.895 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.827 13.984 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.141 13.505 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 100 8.360 15.484 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.251 17.220 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.493 16.348 -5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.770 15.981 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.009 16.078 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.479 14.795 -4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.343 14.372 -2.769 1.00 0.00 H new ATOM 1462 N HIS A 101 8.737 10.864 -5.392 1.00 0.00 N ATOM 1463 CA HIS A 101 8.481 9.573 -6.020 1.00 0.00 C ATOM 1464 C HIS A 101 7.874 8.593 -5.020 1.00 0.00 C ATOM 1465 O HIS A 101 7.049 7.753 -5.383 1.00 0.00 O ATOM 1466 CB HIS A 101 9.775 8.996 -6.595 1.00 0.00 C ATOM 1467 CG HIS A 101 10.775 8.609 -5.549 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.434 9.529 -4.761 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.226 7.393 -5.162 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.248 8.895 -3.935 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.140 7.598 -4.158 1.00 0.00 N ATOM 0 H HIS A 101 9.594 11.322 -5.703 1.00 0.00 H new ATOM 0 HA HIS A 101 7.768 9.726 -6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.536 8.121 -7.199 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.226 9.730 -7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.923 6.439 -5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 101 12.892 9.359 -3.202 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.652 6.867 -3.665 1.00 0.00 H new ATOM 1479 N CYS A 102 8.287 8.706 -3.763 1.00 0.00 N ATOM 1480 CA CYS A 102 7.785 7.829 -2.711 1.00 0.00 C ATOM 1481 C CYS A 102 6.343 8.177 -2.356 1.00 0.00 C ATOM 1482 O CYS A 102 5.455 7.326 -2.416 1.00 0.00 O ATOM 1483 CB CYS A 102 8.669 7.932 -1.468 1.00 0.00 C ATOM 1484 SG CYS A 102 10.350 7.309 -1.703 1.00 0.00 S ATOM 0 H CYS A 102 8.968 9.396 -3.447 1.00 0.00 H new ATOM 0 HA CYS A 102 7.811 6.804 -3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.720 8.976 -1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.199 7.380 -0.654 1.00 0.00 H new ATOM 0 HG CYS A 102 10.655 7.349 -2.966 1.00 0.00 H new ATOM 1490 N SER A 103 6.117 9.433 -1.984 1.00 0.00 N ATOM 1491 CA SER A 103 4.784 9.893 -1.613 1.00 0.00 C ATOM 1492 C SER A 103 3.738 9.372 -2.594 1.00 0.00 C ATOM 1493 O SER A 103 2.601 9.091 -2.214 1.00 0.00 O ATOM 1494 CB SER A 103 4.742 11.421 -1.569 1.00 0.00 C ATOM 1495 OG SER A 103 4.663 11.967 -2.874 1.00 0.00 O ATOM 0 H SER A 103 6.840 10.150 -1.932 1.00 0.00 H new ATOM 0 HA SER A 103 4.554 9.502 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.883 11.748 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.633 11.798 -1.067 1.00 0.00 H new ATOM 0 HG SER A 103 5.395 11.614 -3.421 1.00 0.00 H new ATOM 1501 N MET A 104 4.131 9.247 -3.857 1.00 0.00 N ATOM 1502 CA MET A 104 3.227 8.759 -4.893 1.00 0.00 C ATOM 1503 C MET A 104 3.250 7.235 -4.960 1.00 0.00 C ATOM 1504 O MET A 104 2.215 6.597 -5.162 1.00 0.00 O ATOM 1505 CB MET A 104 3.611 9.347 -6.252 1.00 0.00 C ATOM 1506 CG MET A 104 5.048 9.060 -6.655 1.00 0.00 C ATOM 1507 SD MET A 104 5.507 9.854 -8.207 1.00 0.00 S ATOM 1508 CE MET A 104 5.444 11.581 -7.736 1.00 0.00 C ATOM 0 H MET A 104 5.068 9.476 -4.188 1.00 0.00 H new ATOM 0 HA MET A 104 2.216 9.079 -4.639 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.942 8.947 -7.014 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.458 10.426 -6.228 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.718 9.401 -5.865 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.187 7.983 -6.748 1.00 0.00 H new ATOM 0 HE1 MET A 104 6.027 12.172 -8.442 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.409 11.923 -7.744 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.858 11.700 -6.735 1.00 0.00 H new ATOM 1518 N LEU A 105 4.434 6.657 -4.790 1.00 0.00 N ATOM 1519 CA LEU A 105 4.591 5.208 -4.832 1.00 0.00 C ATOM 1520 C LEU A 105 3.627 4.528 -3.864 1.00 0.00 C ATOM 1521 O LEU A 105 3.076 3.469 -4.163 1.00 0.00 O ATOM 1522 CB LEU A 105 6.031 4.821 -4.492 1.00 0.00 C ATOM 1523 CG LEU A 105 6.481 3.435 -4.955 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.845 3.458 -6.431 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.658 2.950 -4.121 1.00 0.00 C ATOM 0 H LEU A 105 5.299 7.170 -4.622 1.00 0.00 H new ATOM 0 HA LEU A 105 4.360 4.871 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.698 5.563 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.156 4.879 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 105 5.653 2.740 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.163 2.463 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.976 3.761 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.657 4.166 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.965 1.962 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.490 3.646 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.363 2.894 -3.073 1.00 0.00 H new ATOM 1537 N ALA A 106 3.427 5.145 -2.705 1.00 0.00 N ATOM 1538 CA ALA A 106 2.527 4.602 -1.695 1.00 0.00 C ATOM 1539 C ALA A 106 1.092 4.552 -2.209 1.00 0.00 C ATOM 1540 O ALA A 106 0.405 3.543 -2.058 1.00 0.00 O ATOM 1541 CB ALA A 106 2.605 5.427 -0.419 1.00 0.00 C ATOM 0 H ALA A 106 3.876 6.022 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 106 2.842 3.582 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.928 5.010 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.625 5.407 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.319 6.457 -0.633 1.00 0.00 H new ATOM 1547 N GLU A 107 0.647 5.648 -2.815 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.707 5.729 -3.349 1.00 0.00 C ATOM 1549 C GLU A 107 -0.913 4.709 -4.466 1.00 0.00 C ATOM 1550 O GLU A 107 -1.854 3.916 -4.431 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.990 7.139 -3.872 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.457 7.392 -4.176 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.665 8.569 -5.109 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.754 8.855 -5.914 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.737 9.205 -5.033 1.00 0.00 O ATOM 0 H GLU A 107 1.204 6.492 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.403 5.503 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.650 7.866 -3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.406 7.306 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.891 6.498 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.991 7.574 -3.243 1.00 0.00 H new ATOM 1562 N ASP A 108 -0.027 4.737 -5.455 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.110 3.816 -6.582 1.00 0.00 C ATOM 1564 C ASP A 108 -0.191 2.371 -6.099 1.00 0.00 C ATOM 1565 O ASP A 108 -0.976 1.577 -6.615 1.00 0.00 O ATOM 1566 CB ASP A 108 1.099 3.992 -7.502 1.00 0.00 C ATOM 1567 CG ASP A 108 1.125 5.353 -8.171 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.973 6.367 -7.458 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.297 5.403 -9.406 1.00 0.00 O ATOM 0 H ASP A 108 0.757 5.388 -5.499 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.018 4.045 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.014 3.857 -6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.086 3.215 -8.266 1.00 0.00 H new ATOM 1574 N ALA A 109 0.627 2.039 -5.105 1.00 0.00 N ATOM 1575 CA ALA A 109 0.647 0.690 -4.552 1.00 0.00 C ATOM 1576 C ALA A 109 -0.734 0.282 -4.050 1.00 0.00 C ATOM 1577 O ALA A 109 -1.280 -0.739 -4.471 1.00 0.00 O ATOM 1578 CB ALA A 109 1.668 0.597 -3.427 1.00 0.00 C ATOM 0 H ALA A 109 1.284 2.685 -4.667 1.00 0.00 H new ATOM 0 HA ALA A 109 0.934 0.002 -5.347 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.673 -0.415 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.658 0.838 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.405 1.301 -2.638 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.293 1.084 -3.150 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.610 0.805 -2.593 1.00 0.00 C ATOM 1586 C ILE A 110 -3.614 0.476 -3.693 1.00 0.00 C ATOM 1587 O ILE A 110 -4.144 -0.634 -3.753 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.138 1.996 -1.772 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.184 2.310 -0.617 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.535 1.701 -1.247 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.252 3.747 -0.150 1.00 0.00 C ATOM 0 H ILE A 110 -0.854 1.932 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.498 -0.058 -1.936 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.193 2.870 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.413 1.653 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.164 2.086 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.894 2.553 -0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.208 1.522 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.505 0.817 -0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.550 3.897 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.993 4.410 -0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.262 3.971 0.192 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.870 1.447 -4.562 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.808 1.261 -5.663 1.00 0.00 C ATOM 1605 C LYS A 111 -4.600 -0.094 -6.332 1.00 0.00 C ATOM 1606 O LYS A 111 -5.506 -0.927 -6.361 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.644 2.380 -6.694 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.493 3.606 -6.401 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.772 4.575 -5.480 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.726 5.614 -4.908 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.818 6.819 -5.777 1.00 0.00 N ATOM 0 H LYS A 111 -3.441 2.372 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.819 1.295 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.596 2.675 -6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.904 1.995 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.743 4.108 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.433 3.298 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.302 4.024 -4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.974 5.075 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.716 5.173 -4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -5.389 5.908 -3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.774 7.224 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.120 7.525 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.625 6.551 -6.763 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.402 -0.309 -6.865 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.076 -1.564 -7.530 1.00 0.00 C ATOM 1627 C ALA A 112 -3.604 -2.757 -6.740 1.00 0.00 C ATOM 1628 O ALA A 112 -4.136 -3.707 -7.313 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.571 -1.682 -7.725 1.00 0.00 C ATOM 0 H ALA A 112 -2.641 0.370 -6.849 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.560 -1.566 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.341 -2.624 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.217 -0.852 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.075 -1.654 -6.755 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.452 -2.701 -5.421 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.915 -3.777 -4.552 1.00 0.00 C ATOM 1637 C ALA A 113 -5.412 -4.012 -4.721 1.00 0.00 C ATOM 1638 O ALA A 113 -5.832 -5.018 -5.296 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.589 -3.460 -3.100 1.00 0.00 C ATOM 0 H ALA A 113 -3.012 -1.922 -4.931 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.395 -4.691 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.940 -4.272 -2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.511 -3.349 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.082 -2.532 -2.811 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.213 -3.081 -4.217 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.665 -3.187 -4.311 1.00 0.00 C ATOM 1647 C LEU A 114 -8.092 -3.578 -5.723 1.00 0.00 C ATOM 1648 O LEU A 114 -8.803 -4.564 -5.916 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.320 -1.863 -3.916 1.00 0.00 C ATOM 1650 CG LEU A 114 -7.816 -1.224 -2.622 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.468 -2.294 -1.599 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.611 -0.337 -2.900 1.00 0.00 C ATOM 0 H LEU A 114 -5.882 -2.243 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 114 -7.993 -3.966 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.174 -1.152 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.394 -2.026 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.612 -0.603 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.111 -1.821 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.355 -2.888 -1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.688 -2.941 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.265 0.110 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.811 -0.936 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.893 0.452 -3.598 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.651 -2.800 -6.705 1.00 0.00 N ATOM 1665 CA ALA A 115 -7.984 -3.067 -8.099 1.00 0.00 C ATOM 1666 C ALA A 115 -7.784 -4.540 -8.438 1.00 0.00 C ATOM 1667 O ALA A 115 -8.744 -5.257 -8.725 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.144 -2.193 -9.019 1.00 0.00 C ATOM 0 H ALA A 115 -7.062 -1.980 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.037 -2.826 -8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.403 -2.403 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.339 -1.143 -8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.087 -2.406 -8.859 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.533 -4.986 -8.405 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.208 -6.375 -8.709 1.00 0.00 C ATOM 1676 C ASP A 116 -7.220 -7.322 -8.072 1.00 0.00 C ATOM 1677 O ASP A 116 -7.722 -8.239 -8.723 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.799 -6.710 -8.218 1.00 0.00 C ATOM 1679 CG ASP A 116 -4.229 -7.943 -8.891 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -3.997 -7.896 -10.117 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -4.016 -8.956 -8.192 1.00 0.00 O ATOM 0 H ASP A 116 -5.727 -4.406 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.248 -6.503 -9.791 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.141 -5.861 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.821 -6.866 -7.139 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.515 -7.094 -6.797 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.464 -7.929 -6.071 1.00 0.00 C ATOM 1688 C TYR A 117 -9.837 -7.898 -6.736 1.00 0.00 C ATOM 1689 O TYR A 117 -10.511 -8.922 -6.847 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.578 -7.464 -4.619 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.943 -7.700 -4.013 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.270 -8.925 -3.443 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.906 -6.698 -4.008 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.516 -9.145 -2.889 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.154 -6.910 -3.455 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.454 -8.135 -2.897 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.696 -8.350 -2.345 1.00 0.00 O ATOM 0 H TYR A 117 -7.110 -6.338 -6.245 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.095 -8.954 -6.089 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.829 -7.983 -4.020 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.346 -6.400 -4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.537 -9.718 -3.433 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.675 -5.737 -4.444 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.754 -10.103 -2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.891 -6.121 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.237 -7.538 -2.431 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.245 -6.714 -7.180 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.536 -6.545 -7.837 1.00 0.00 C ATOM 1709 C LYS A 118 -11.566 -7.279 -9.174 1.00 0.00 C ATOM 1710 O LYS A 118 -12.533 -7.972 -9.491 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.832 -5.059 -8.051 1.00 0.00 C ATOM 1712 CG LYS A 118 -11.975 -4.274 -6.759 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.769 -2.786 -6.984 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.263 -2.096 -5.727 1.00 0.00 C ATOM 1715 NZ LYS A 118 -11.435 -0.618 -5.798 1.00 0.00 N ATOM 0 H LYS A 118 -9.700 -5.856 -7.097 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.303 -6.972 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.031 -4.620 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.750 -4.960 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -12.965 -4.445 -6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.250 -4.636 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.056 -2.635 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.709 -2.331 -7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.798 -2.483 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.209 -2.332 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.440 -0.223 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -10.650 -0.203 -6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -12.335 -0.395 -6.269 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.501 -7.122 -9.953 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.405 -7.772 -11.256 1.00 0.00 C ATOM 1731 C LEU A 119 -10.755 -9.253 -11.153 1.00 0.00 C ATOM 1732 O LEU A 119 -11.434 -9.803 -12.020 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.995 -7.607 -11.826 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.409 -6.196 -11.769 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.126 -6.118 -12.583 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.422 -5.176 -12.268 1.00 0.00 C ATOM 0 H LEU A 119 -9.693 -6.551 -9.706 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.120 -7.295 -11.927 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.326 -8.279 -11.288 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.005 -7.933 -12.866 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.172 -5.964 -10.731 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.723 -5.107 -12.531 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.396 -6.820 -12.180 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.338 -6.371 -13.622 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.987 -4.178 -12.220 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.691 -5.405 -13.299 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.314 -5.213 -11.643 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.287 -9.893 -10.087 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.553 -11.310 -9.868 1.00 0.00 C ATOM 1750 C LYS A 120 -12.017 -11.540 -9.507 1.00 0.00 C ATOM 1751 O LYS A 120 -12.619 -12.530 -9.922 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.652 -11.853 -8.756 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.230 -11.322 -8.812 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.236 -12.330 -8.262 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.765 -13.294 -9.340 1.00 0.00 C ATOM 1756 NZ LYS A 120 -5.858 -14.340 -8.792 1.00 0.00 N ATOM 0 H LYS A 120 -9.722 -9.453 -9.361 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.338 -11.842 -10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.088 -11.599 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.627 -12.941 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -7.971 -11.080 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.164 -10.396 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.378 -11.805 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.697 -12.890 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.629 -13.770 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.248 -12.739 -10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.559 -14.977 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.021 -13.888 -8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.359 -14.887 -8.063 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.584 -10.618 -8.735 1.00 0.00 N ATOM 1771 CA GLN A 121 -13.978 -10.722 -8.321 1.00 0.00 C ATOM 1772 C GLN A 121 -14.914 -10.533 -9.510 1.00 0.00 C ATOM 1773 O GLN A 121 -15.982 -11.141 -9.573 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.289 -9.683 -7.241 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.483 -9.871 -5.966 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.708 -11.228 -5.329 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.693 -11.438 -4.620 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.793 -12.158 -5.577 1.00 0.00 N ATOM 0 H GLN A 121 -12.100 -9.792 -8.384 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.137 -11.720 -7.912 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.095 -8.687 -7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.351 -9.729 -7.000 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.423 -9.750 -6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.750 -9.090 -5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.992 -11.940 -6.170 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.891 -13.090 -5.174 1.00 0.00 H new