USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 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= 0.245 USER MOD Set 1.2: A 59 CYS SG : rot 94:sc= 0.429 USER MOD Set 1.3: A 61 SER OG : rot 99:sc= 1.43 USER MOD Set 1.4: A 101 HIS : no HD1:sc= -0.701 K(o=-4.5,f=-9.4!) USER MOD Set 1.5: A 102 CYS SG : rot 44:sc= -5.93! USER MOD Set 2.1: A 56 THR OG1 : rot 128:sc= -0.414 USER MOD Set 2.2: A 66 SER OG : rot 98:sc= 0.0273 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 40 GLN : amide:sc= 0 X(o=0,f=0.0057) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.254 F(o=-0.8,f=-0.25) USER MOD Single : A 37 MET CE :methyl 163:sc= -3.65! (180deg=-5.51!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= -0.104 (180deg=-0.104) 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= -0.108 (180deg=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 84:sc= -0.0109 USER MOD Single : A 67 SER OG : rot -54:sc= 0.758 USER MOD Single : A 70 THR OG1 : rot -140:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -101:sc= -1.03 USER MOD Single : A 83 THR OG1 : rot -84:sc= 1.02 USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= 0.247 (180deg=-0.875) USER MOD Single : A 86 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.71) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot -52:sc= -0.187 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= -0.011 (180deg=-0.011) USER MOD Single : A 103 SER OG : rot -71:sc= 0.8 USER MOD Single : A 104 MET CE :methyl -121:sc= -0.0196 (180deg=-1.94!) USER MOD Single : A 111 LYS NZ :NH3+ -168:sc= 0.0821 (180deg=-0.333) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0591 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 281 N ASN A 22 -9.112 -13.204 -2.540 1.00 0.00 N ATOM 282 CA ASN A 22 -9.579 -12.309 -1.488 1.00 0.00 C ATOM 283 C ASN A 22 -8.544 -11.227 -1.195 1.00 0.00 C ATOM 284 O ASN A 22 -8.891 -10.089 -0.879 1.00 0.00 O ATOM 285 CB ASN A 22 -9.881 -13.099 -0.214 1.00 0.00 C ATOM 286 CG ASN A 22 -8.768 -14.065 0.145 1.00 0.00 C ATOM 287 OD1 ASN A 22 -7.940 -13.682 1.109 1.00 0.00 O flip ATOM 288 ND2 ASN A 22 -8.656 -15.144 -0.439 1.00 0.00 N flip ATOM 0 HA ASN A 22 -10.494 -11.828 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.037 -12.405 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.811 -13.653 -0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.316 -15.397 -1.174 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.903 -15.784 -0.187 1.00 0.00 H new ATOM 295 N VAL A 23 -7.269 -11.589 -1.304 1.00 0.00 N ATOM 296 CA VAL A 23 -6.183 -10.650 -1.053 1.00 0.00 C ATOM 297 C VAL A 23 -5.494 -10.247 -2.352 1.00 0.00 C ATOM 298 O VAL A 23 -4.991 -11.094 -3.089 1.00 0.00 O ATOM 299 CB VAL A 23 -5.137 -11.246 -0.093 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.835 -12.691 -0.461 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.867 -10.408 -0.103 1.00 0.00 C ATOM 0 H VAL A 23 -6.964 -12.527 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.627 -9.768 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.547 -11.232 0.917 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.094 -13.095 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.749 -13.281 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.445 -12.734 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.138 -10.843 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.452 -10.388 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.099 -9.391 0.214 1.00 0.00 H new ATOM 311 N GLY A 24 -5.474 -8.946 -2.625 1.00 0.00 N ATOM 312 CA GLY A 24 -4.843 -8.452 -3.836 1.00 0.00 C ATOM 313 C GLY A 24 -3.358 -8.208 -3.657 1.00 0.00 C ATOM 314 O GLY A 24 -2.852 -8.197 -2.534 1.00 0.00 O ATOM 0 H GLY A 24 -5.883 -8.225 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.996 -9.171 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.326 -7.524 -4.142 1.00 0.00 H new ATOM 318 N THR A 25 -2.654 -8.014 -4.768 1.00 0.00 N ATOM 319 CA THR A 25 -1.217 -7.772 -4.731 1.00 0.00 C ATOM 320 C THR A 25 -0.840 -6.566 -5.583 1.00 0.00 C ATOM 321 O THR A 25 -0.842 -6.637 -6.812 1.00 0.00 O ATOM 322 CB THR A 25 -0.428 -9.000 -5.221 1.00 0.00 C ATOM 323 OG1 THR A 25 -0.887 -10.178 -4.548 1.00 0.00 O ATOM 324 CG2 THR A 25 1.063 -8.819 -4.975 1.00 0.00 C ATOM 0 H THR A 25 -3.056 -8.020 -5.705 1.00 0.00 H new ATOM 0 HA THR A 25 -0.957 -7.574 -3.691 1.00 0.00 H new ATOM 0 HB THR A 25 -0.594 -9.106 -6.293 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.381 -10.955 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.600 -9.699 -5.329 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.416 -7.938 -5.512 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.243 -8.690 -3.908 1.00 0.00 H new ATOM 332 N GLY A 26 -0.515 -5.458 -4.924 1.00 0.00 N ATOM 333 CA GLY A 26 -0.139 -4.253 -5.638 1.00 0.00 C ATOM 334 C GLY A 26 1.331 -3.918 -5.478 1.00 0.00 C ATOM 335 O GLY A 26 1.768 -3.508 -4.402 1.00 0.00 O ATOM 0 H GLY A 26 -0.506 -5.374 -3.908 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.367 -4.376 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.740 -3.418 -5.277 1.00 0.00 H new ATOM 339 N LEU A 27 2.096 -4.095 -6.549 1.00 0.00 N ATOM 340 CA LEU A 27 3.527 -3.810 -6.523 1.00 0.00 C ATOM 341 C LEU A 27 3.859 -2.606 -7.398 1.00 0.00 C ATOM 342 O LEU A 27 3.474 -2.549 -8.566 1.00 0.00 O ATOM 343 CB LEU A 27 4.318 -5.031 -6.994 1.00 0.00 C ATOM 344 CG LEU A 27 5.824 -4.829 -7.169 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.441 -4.280 -5.892 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.495 -6.135 -7.570 1.00 0.00 C ATOM 0 H LEU A 27 1.750 -4.434 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 27 3.807 -3.577 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.161 -5.839 -6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.903 -5.363 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 27 5.983 -4.103 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.513 -4.143 -6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.982 -3.322 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.271 -4.981 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.566 -5.972 -7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.326 -6.883 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.074 -6.486 -8.512 1.00 0.00 H new ATOM 358 N VAL A 28 4.577 -1.645 -6.826 1.00 0.00 N ATOM 359 CA VAL A 28 4.964 -0.443 -7.554 1.00 0.00 C ATOM 360 C VAL A 28 6.312 0.082 -7.072 1.00 0.00 C ATOM 361 O VAL A 28 6.466 0.453 -5.910 1.00 0.00 O ATOM 362 CB VAL A 28 3.909 0.669 -7.404 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.630 0.294 -8.137 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.630 0.942 -5.934 1.00 0.00 C ATOM 0 H VAL A 28 4.903 -1.676 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 28 5.041 -0.721 -8.605 1.00 0.00 H new ATOM 0 HB VAL A 28 4.302 1.582 -7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.896 1.092 -8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.846 0.152 -9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.230 -0.631 -7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.882 1.730 -5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.258 0.034 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.550 1.258 -5.442 1.00 0.00 H new ATOM 374 N GLY A 29 7.288 0.110 -7.976 1.00 0.00 N ATOM 375 CA GLY A 29 8.611 0.591 -7.624 1.00 0.00 C ATOM 376 C GLY A 29 8.992 1.847 -8.383 1.00 0.00 C ATOM 377 O GLY A 29 8.256 2.296 -9.261 1.00 0.00 O ATOM 0 H GLY A 29 7.185 -0.192 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.648 0.792 -6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.344 -0.189 -7.828 1.00 0.00 H new ATOM 381 N ALA A 30 10.144 2.415 -8.043 1.00 0.00 N ATOM 382 CA ALA A 30 10.621 3.626 -8.699 1.00 0.00 C ATOM 383 C ALA A 30 11.729 3.309 -9.697 1.00 0.00 C ATOM 384 O ALA A 30 12.685 2.596 -9.394 1.00 0.00 O ATOM 385 CB ALA A 30 11.111 4.629 -7.664 1.00 0.00 C ATOM 0 H ALA A 30 10.764 2.056 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 30 9.788 4.065 -9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.464 5.529 -8.168 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.293 4.887 -6.992 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.927 4.190 -7.090 1.00 0.00 H new ATOM 391 N PRO A 31 11.600 3.851 -10.917 1.00 0.00 N ATOM 392 CA PRO A 31 12.582 3.639 -11.985 1.00 0.00 C ATOM 393 C PRO A 31 13.904 4.345 -11.705 1.00 0.00 C ATOM 394 O PRO A 31 14.972 3.740 -11.796 1.00 0.00 O ATOM 395 CB PRO A 31 11.903 4.245 -13.216 1.00 0.00 C ATOM 396 CG PRO A 31 10.958 5.258 -12.668 1.00 0.00 C ATOM 397 CD PRO A 31 10.486 4.712 -11.348 1.00 0.00 C ATOM 0 HA PRO A 31 12.840 2.586 -12.098 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.632 4.704 -13.884 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.377 3.484 -13.793 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.451 6.222 -12.538 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.120 5.417 -13.347 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.293 5.509 -10.630 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.560 4.147 -11.455 1.00 0.00 H new ATOM 405 N ALA A 32 13.825 5.627 -11.364 1.00 0.00 N ATOM 406 CA ALA A 32 15.016 6.413 -11.068 1.00 0.00 C ATOM 407 C ALA A 32 15.678 5.943 -9.777 1.00 0.00 C ATOM 408 O ALA A 32 16.773 5.381 -9.797 1.00 0.00 O ATOM 409 CB ALA A 32 14.664 7.890 -10.975 1.00 0.00 C ATOM 0 H ALA A 32 12.949 6.143 -11.286 1.00 0.00 H new ATOM 0 HA ALA A 32 15.726 6.270 -11.882 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.563 8.465 -10.753 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.244 8.224 -11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.932 8.040 -10.181 1.00 0.00 H new ATOM 415 N CYS A 33 15.006 6.177 -8.654 1.00 0.00 N ATOM 416 CA CYS A 33 15.529 5.779 -7.353 1.00 0.00 C ATOM 417 C CYS A 33 15.812 4.280 -7.316 1.00 0.00 C ATOM 418 O CYS A 33 16.815 3.841 -6.755 1.00 0.00 O ATOM 419 CB CYS A 33 14.538 6.149 -6.247 1.00 0.00 C ATOM 420 SG CYS A 33 15.264 6.174 -4.577 1.00 0.00 S ATOM 0 H CYS A 33 14.098 6.640 -8.620 1.00 0.00 H new ATOM 0 HA CYS A 33 16.465 6.312 -7.187 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.118 7.131 -6.464 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.711 5.439 -6.262 1.00 0.00 H new ATOM 0 HG CYS A 33 15.073 5.023 -4.004 1.00 0.00 H new ATOM 425 N GLY A 34 14.920 3.500 -7.918 1.00 0.00 N ATOM 426 CA GLY A 34 15.092 2.059 -7.943 1.00 0.00 C ATOM 427 C GLY A 34 14.603 1.395 -6.672 1.00 0.00 C ATOM 428 O GLY A 34 15.375 0.745 -5.966 1.00 0.00 O ATOM 0 H GLY A 34 14.081 3.840 -8.389 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.552 1.647 -8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.146 1.824 -8.089 1.00 0.00 H new ATOM 432 N ASP A 35 13.318 1.558 -6.377 1.00 0.00 N ATOM 433 CA ASP A 35 12.727 0.970 -5.181 1.00 0.00 C ATOM 434 C ASP A 35 11.665 -0.062 -5.551 1.00 0.00 C ATOM 435 O ASP A 35 11.178 -0.089 -6.681 1.00 0.00 O ATOM 436 CB ASP A 35 12.112 2.059 -4.301 1.00 0.00 C ATOM 437 CG ASP A 35 12.937 3.331 -4.293 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.130 3.267 -4.658 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.390 4.391 -3.923 1.00 0.00 O ATOM 0 H ASP A 35 12.665 2.093 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 35 13.518 0.468 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.106 2.284 -4.656 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.014 1.686 -3.281 1.00 0.00 H new ATOM 444 N VAL A 36 11.311 -0.910 -4.590 1.00 0.00 N ATOM 445 CA VAL A 36 10.308 -1.943 -4.814 1.00 0.00 C ATOM 446 C VAL A 36 9.319 -2.010 -3.656 1.00 0.00 C ATOM 447 O VAL A 36 9.584 -2.647 -2.636 1.00 0.00 O ATOM 448 CB VAL A 36 10.959 -3.327 -4.999 1.00 0.00 C ATOM 449 CG1 VAL A 36 9.894 -4.401 -5.164 1.00 0.00 C ATOM 450 CG2 VAL A 36 11.904 -3.316 -6.190 1.00 0.00 C ATOM 0 H VAL A 36 11.704 -0.901 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 36 9.776 -1.674 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 36 11.539 -3.558 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.373 -5.372 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.260 -4.424 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.285 -4.178 -6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.355 -4.302 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.348 -3.063 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 36 12.687 -2.576 -6.026 1.00 0.00 H new ATOM 460 N MET A 37 8.179 -1.348 -3.820 1.00 0.00 N ATOM 461 CA MET A 37 7.148 -1.333 -2.787 1.00 0.00 C ATOM 462 C MET A 37 6.054 -2.349 -3.097 1.00 0.00 C ATOM 463 O MET A 37 5.193 -2.111 -3.945 1.00 0.00 O ATOM 464 CB MET A 37 6.542 0.066 -2.662 1.00 0.00 C ATOM 465 CG MET A 37 5.746 0.271 -1.383 1.00 0.00 C ATOM 466 SD MET A 37 5.285 1.994 -1.121 1.00 0.00 S ATOM 467 CE MET A 37 3.712 1.801 -0.287 1.00 0.00 C ATOM 0 H MET A 37 7.945 -0.815 -4.657 1.00 0.00 H new ATOM 0 HA MET A 37 7.613 -1.605 -1.840 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.342 0.805 -2.705 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.893 0.250 -3.518 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.845 -0.341 -1.419 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.334 -0.077 -0.534 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.444 2.736 0.205 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.944 1.541 -1.015 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.790 1.009 0.457 1.00 0.00 H new ATOM 477 N LYS A 38 6.092 -3.483 -2.406 1.00 0.00 N ATOM 478 CA LYS A 38 5.103 -4.535 -2.606 1.00 0.00 C ATOM 479 C LYS A 38 4.010 -4.464 -1.544 1.00 0.00 C ATOM 480 O LYS A 38 4.245 -4.774 -0.375 1.00 0.00 O ATOM 481 CB LYS A 38 5.776 -5.909 -2.569 1.00 0.00 C ATOM 482 CG LYS A 38 4.797 -7.068 -2.640 1.00 0.00 C ATOM 483 CD LYS A 38 5.385 -8.250 -3.392 1.00 0.00 C ATOM 484 CE LYS A 38 4.986 -8.232 -4.859 1.00 0.00 C ATOM 485 NZ LYS A 38 5.800 -9.181 -5.668 1.00 0.00 N ATOM 0 H LYS A 38 6.798 -3.697 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 38 4.645 -4.387 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.476 -5.984 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.360 -5.994 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.524 -7.377 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.881 -6.742 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.472 -8.231 -3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.047 -9.179 -2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.931 -8.489 -4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.104 -7.223 -5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.497 -9.138 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.805 -8.921 -5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.668 -10.147 -5.307 1.00 0.00 H new ATOM 499 N LEU A 39 2.816 -4.056 -1.957 1.00 0.00 N ATOM 500 CA LEU A 39 1.686 -3.946 -1.041 1.00 0.00 C ATOM 501 C LEU A 39 0.757 -5.148 -1.175 1.00 0.00 C ATOM 502 O LEU A 39 0.626 -5.725 -2.254 1.00 0.00 O ATOM 503 CB LEU A 39 0.910 -2.655 -1.311 1.00 0.00 C ATOM 504 CG LEU A 39 0.079 -2.116 -0.146 1.00 0.00 C ATOM 505 CD1 LEU A 39 0.984 -1.615 0.968 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.849 -1.007 -0.621 1.00 0.00 C ATOM 0 H LEU A 39 2.605 -3.796 -2.920 1.00 0.00 H new ATOM 0 HA LEU A 39 2.076 -3.923 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.620 -1.884 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.245 -2.825 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.531 -2.929 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.375 -1.235 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.607 -2.434 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.620 -0.816 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.433 -0.635 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.258 -0.193 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.522 -1.398 -1.384 1.00 0.00 H new ATOM 518 N GLN A 40 0.115 -5.519 -0.072 1.00 0.00 N ATOM 519 CA GLN A 40 -0.802 -6.652 -0.067 1.00 0.00 C ATOM 520 C GLN A 40 -1.871 -6.483 1.008 1.00 0.00 C ATOM 521 O GLN A 40 -1.558 -6.347 2.191 1.00 0.00 O ATOM 522 CB GLN A 40 -0.035 -7.956 0.161 1.00 0.00 C ATOM 523 CG GLN A 40 0.507 -8.575 -1.118 1.00 0.00 C ATOM 524 CD GLN A 40 0.800 -10.055 -0.971 1.00 0.00 C ATOM 525 OE1 GLN A 40 1.859 -10.443 -0.477 1.00 0.00 O ATOM 526 NE2 GLN A 40 -0.138 -10.890 -1.401 1.00 0.00 N ATOM 0 H GLN A 40 0.213 -5.052 0.829 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.293 -6.693 -1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.794 -7.766 0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.693 -8.674 0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.215 -8.429 -1.922 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.419 -8.055 -1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.001 -10.524 -1.804 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.004 -11.897 -1.329 1.00 0.00 H new ATOM 535 N ILE A 41 -3.131 -6.492 0.589 1.00 0.00 N ATOM 536 CA ILE A 41 -4.246 -6.340 1.516 1.00 0.00 C ATOM 537 C ILE A 41 -5.245 -7.482 1.366 1.00 0.00 C ATOM 538 O ILE A 41 -5.629 -7.842 0.254 1.00 0.00 O ATOM 539 CB ILE A 41 -4.977 -5.002 1.303 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.561 -4.934 -0.110 1.00 0.00 C ATOM 541 CG2 ILE A 41 -4.031 -3.836 1.547 1.00 0.00 C ATOM 542 CD1 ILE A 41 -6.975 -5.463 -0.206 1.00 0.00 C ATOM 0 H ILE A 41 -3.406 -6.603 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.825 -6.358 2.521 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.796 -4.935 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.545 -3.899 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.922 -5.503 -0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.563 -2.897 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.659 -3.878 2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.193 -3.896 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.324 -5.384 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.994 -6.508 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.627 -4.879 0.444 1.00 0.00 H new ATOM 554 N GLN A 42 -5.663 -8.047 2.495 1.00 0.00 N ATOM 555 CA GLN A 42 -6.619 -9.148 2.489 1.00 0.00 C ATOM 556 C GLN A 42 -8.040 -8.636 2.699 1.00 0.00 C ATOM 557 O GLN A 42 -8.397 -8.195 3.791 1.00 0.00 O ATOM 558 CB GLN A 42 -6.264 -10.165 3.575 1.00 0.00 C ATOM 559 CG GLN A 42 -7.003 -11.486 3.436 1.00 0.00 C ATOM 560 CD GLN A 42 -6.856 -12.368 4.660 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.784 -12.501 5.458 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.686 -12.978 4.814 1.00 0.00 N ATOM 0 H GLN A 42 -5.355 -7.761 3.424 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.569 -9.635 1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.191 -10.354 3.547 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.487 -9.734 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.060 -11.290 3.259 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.627 -12.018 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.944 -12.839 4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.529 -13.585 5.619 1.00 0.00 H new ATOM 571 N VAL A 43 -8.848 -8.697 1.645 1.00 0.00 N ATOM 572 CA VAL A 43 -10.230 -8.240 1.714 1.00 0.00 C ATOM 573 C VAL A 43 -11.154 -9.355 2.190 1.00 0.00 C ATOM 574 O VAL A 43 -11.038 -10.501 1.754 1.00 0.00 O ATOM 575 CB VAL A 43 -10.722 -7.730 0.346 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.196 -7.362 0.411 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.887 -6.543 -0.111 1.00 0.00 C ATOM 0 H VAL A 43 -8.569 -9.059 0.733 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.256 -7.419 2.430 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.605 -8.531 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.525 -7.004 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.778 -8.240 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.343 -6.578 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.248 -6.195 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.970 -5.737 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.843 -6.845 -0.200 1.00 0.00 H new ATOM 587 N ASP A 44 -12.073 -9.013 3.086 1.00 0.00 N ATOM 588 CA ASP A 44 -13.019 -9.985 3.621 1.00 0.00 C ATOM 589 C ASP A 44 -14.283 -10.038 2.769 1.00 0.00 C ATOM 590 O ASP A 44 -14.376 -9.374 1.737 1.00 0.00 O ATOM 591 CB ASP A 44 -13.378 -9.636 5.066 1.00 0.00 C ATOM 592 CG ASP A 44 -13.753 -10.859 5.881 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.007 -11.860 5.827 1.00 0.00 O ATOM 594 OD2 ASP A 44 -14.792 -10.816 6.572 1.00 0.00 O ATOM 0 H ASP A 44 -12.183 -8.069 3.457 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.546 -10.967 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.532 -9.135 5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.209 -8.931 5.071 1.00 0.00 H new ATOM 599 N GLU A 45 -15.253 -10.835 3.207 1.00 0.00 N ATOM 600 CA GLU A 45 -16.511 -10.976 2.482 1.00 0.00 C ATOM 601 C GLU A 45 -17.245 -9.641 2.401 1.00 0.00 C ATOM 602 O GLU A 45 -17.886 -9.331 1.396 1.00 0.00 O ATOM 603 CB GLU A 45 -17.401 -12.020 3.160 1.00 0.00 C ATOM 604 CG GLU A 45 -17.694 -11.715 4.620 1.00 0.00 C ATOM 605 CD GLU A 45 -18.030 -12.958 5.420 1.00 0.00 C ATOM 606 OE1 GLU A 45 -17.623 -14.061 4.999 1.00 0.00 O ATOM 607 OE2 GLU A 45 -18.700 -12.829 6.465 1.00 0.00 O ATOM 0 H GLU A 45 -15.192 -11.392 4.059 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.282 -11.307 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.343 -12.090 2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.920 -12.995 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.829 -11.224 5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.525 -11.013 4.681 1.00 0.00 H new ATOM 614 N LYS A 46 -17.147 -8.853 3.466 1.00 0.00 N ATOM 615 CA LYS A 46 -17.800 -7.550 3.518 1.00 0.00 C ATOM 616 C LYS A 46 -17.105 -6.556 2.592 1.00 0.00 C ATOM 617 O LYS A 46 -17.709 -5.581 2.148 1.00 0.00 O ATOM 618 CB LYS A 46 -17.802 -7.013 4.951 1.00 0.00 C ATOM 619 CG LYS A 46 -18.548 -7.901 5.932 1.00 0.00 C ATOM 620 CD LYS A 46 -19.158 -7.092 7.064 1.00 0.00 C ATOM 621 CE LYS A 46 -20.262 -7.864 7.769 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.609 -7.259 9.085 1.00 0.00 N ATOM 0 H LYS A 46 -16.621 -9.094 4.306 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.830 -7.674 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.772 -6.898 5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.252 -6.020 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.334 -8.444 5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.865 -8.645 6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.382 -6.827 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.560 -6.159 6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.149 -7.889 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.946 -8.897 7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.365 -7.814 9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.769 -7.258 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.935 -6.282 8.943 1.00 0.00 H new ATOM 636 N GLY A 47 -15.833 -6.812 2.305 1.00 0.00 N ATOM 637 CA GLY A 47 -15.078 -5.931 1.433 1.00 0.00 C ATOM 638 C GLY A 47 -14.246 -4.925 2.204 1.00 0.00 C ATOM 639 O GLY A 47 -13.951 -3.840 1.704 1.00 0.00 O ATOM 0 H GLY A 47 -15.312 -7.613 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.424 -6.528 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.765 -5.400 0.774 1.00 0.00 H new ATOM 643 N LYS A 48 -13.869 -5.284 3.426 1.00 0.00 N ATOM 644 CA LYS A 48 -13.068 -4.405 4.269 1.00 0.00 C ATOM 645 C LYS A 48 -11.675 -4.986 4.491 1.00 0.00 C ATOM 646 O LYS A 48 -11.527 -6.171 4.790 1.00 0.00 O ATOM 647 CB LYS A 48 -13.760 -4.185 5.616 1.00 0.00 C ATOM 648 CG LYS A 48 -13.082 -3.140 6.485 1.00 0.00 C ATOM 649 CD LYS A 48 -11.995 -3.755 7.350 1.00 0.00 C ATOM 650 CE LYS A 48 -12.563 -4.314 8.646 1.00 0.00 C ATOM 651 NZ LYS A 48 -11.492 -4.823 9.547 1.00 0.00 N ATOM 0 H LYS A 48 -14.106 -6.179 3.855 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.967 -3.447 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.793 -3.884 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.792 -5.131 6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.650 -2.364 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.824 -2.657 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.496 -4.551 6.797 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.240 -3.002 7.577 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.130 -3.537 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.260 -5.120 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.765 -5.755 9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.603 -4.910 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.359 -4.160 10.337 1.00 0.00 H new ATOM 665 N ILE A 49 -10.657 -4.144 4.343 1.00 0.00 N ATOM 666 CA ILE A 49 -9.277 -4.574 4.530 1.00 0.00 C ATOM 667 C ILE A 49 -9.015 -4.965 5.981 1.00 0.00 C ATOM 668 O ILE A 49 -8.922 -4.108 6.859 1.00 0.00 O ATOM 669 CB ILE A 49 -8.284 -3.471 4.121 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.349 -3.230 2.611 1.00 0.00 C ATOM 671 CG2 ILE A 49 -6.871 -3.848 4.541 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.031 -1.806 2.212 1.00 0.00 C ATOM 0 H ILE A 49 -10.762 -3.160 4.094 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.127 -5.443 3.889 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.560 -2.548 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.650 -3.903 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.347 -3.485 2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.180 -3.058 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.835 -3.975 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.584 -4.781 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.096 -1.709 1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.745 -1.129 2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.022 -1.553 2.539 1.00 0.00 H new ATOM 684 N VAL A 50 -8.895 -6.267 6.224 1.00 0.00 N ATOM 685 CA VAL A 50 -8.640 -6.773 7.568 1.00 0.00 C ATOM 686 C VAL A 50 -7.145 -6.924 7.823 1.00 0.00 C ATOM 687 O VAL A 50 -6.669 -6.699 8.936 1.00 0.00 O ATOM 688 CB VAL A 50 -9.329 -8.131 7.796 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.842 -7.975 7.760 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.865 -9.144 6.761 1.00 0.00 C ATOM 0 H VAL A 50 -8.970 -6.990 5.508 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.052 -6.044 8.265 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.049 -8.500 8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.312 -8.945 7.923 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.155 -7.284 8.543 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.144 -7.584 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.362 -10.098 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.114 -8.784 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.786 -9.277 6.840 1.00 0.00 H new ATOM 700 N ASP A 51 -6.409 -7.308 6.786 1.00 0.00 N ATOM 701 CA ASP A 51 -4.966 -7.489 6.897 1.00 0.00 C ATOM 702 C ASP A 51 -4.236 -6.711 5.807 1.00 0.00 C ATOM 703 O ASP A 51 -4.680 -6.664 4.660 1.00 0.00 O ATOM 704 CB ASP A 51 -4.608 -8.973 6.809 1.00 0.00 C ATOM 705 CG ASP A 51 -4.930 -9.723 8.087 1.00 0.00 C ATOM 706 OD1 ASP A 51 -4.152 -9.603 9.056 1.00 0.00 O ATOM 707 OD2 ASP A 51 -5.959 -10.430 8.117 1.00 0.00 O ATOM 0 H ASP A 51 -6.788 -7.500 5.859 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.650 -7.105 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.150 -9.426 5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.545 -9.075 6.589 1.00 0.00 H new ATOM 712 N ALA A 52 -3.113 -6.101 6.173 1.00 0.00 N ATOM 713 CA ALA A 52 -2.321 -5.326 5.227 1.00 0.00 C ATOM 714 C ALA A 52 -0.836 -5.397 5.566 1.00 0.00 C ATOM 715 O ALA A 52 -0.453 -5.340 6.735 1.00 0.00 O ATOM 716 CB ALA A 52 -2.791 -3.879 5.205 1.00 0.00 C ATOM 0 H ALA A 52 -2.732 -6.129 7.119 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.461 -5.757 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.190 -3.312 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.839 -3.841 4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.681 -3.446 6.199 1.00 0.00 H new ATOM 722 N ARG A 53 -0.003 -5.523 4.538 1.00 0.00 N ATOM 723 CA ARG A 53 1.440 -5.604 4.728 1.00 0.00 C ATOM 724 C ARG A 53 2.166 -4.644 3.790 1.00 0.00 C ATOM 725 O ARG A 53 1.641 -4.266 2.743 1.00 0.00 O ATOM 726 CB ARG A 53 1.928 -7.034 4.490 1.00 0.00 C ATOM 727 CG ARG A 53 1.136 -8.083 5.255 1.00 0.00 C ATOM 728 CD ARG A 53 1.369 -7.973 6.754 1.00 0.00 C ATOM 729 NE ARG A 53 0.216 -8.435 7.522 1.00 0.00 N ATOM 730 CZ ARG A 53 0.310 -8.996 8.722 1.00 0.00 C ATOM 731 NH1 ARG A 53 1.498 -9.162 9.289 1.00 0.00 N ATOM 732 NH2 ARG A 53 -0.785 -9.391 9.359 1.00 0.00 N ATOM 0 H ARG A 53 -0.303 -5.571 3.564 1.00 0.00 H new ATOM 0 HA ARG A 53 1.663 -5.318 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.873 -7.255 3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.978 -7.103 4.776 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.074 -7.966 5.041 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.422 -9.078 4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.246 -8.559 7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.585 -6.936 7.012 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.712 -8.321 7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.342 -8.858 8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.567 -9.593 10.211 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.700 -9.264 8.927 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.711 -9.822 10.281 1.00 0.00 H new ATOM 746 N PHE A 54 3.377 -4.254 4.174 1.00 0.00 N ATOM 747 CA PHE A 54 4.176 -3.337 3.368 1.00 0.00 C ATOM 748 C PHE A 54 5.624 -3.811 3.280 1.00 0.00 C ATOM 749 O PHE A 54 6.273 -4.052 4.298 1.00 0.00 O ATOM 750 CB PHE A 54 4.124 -1.927 3.960 1.00 0.00 C ATOM 751 CG PHE A 54 5.180 -1.672 4.997 1.00 0.00 C ATOM 752 CD1 PHE A 54 6.425 -1.185 4.631 1.00 0.00 C ATOM 753 CD2 PHE A 54 4.928 -1.919 6.336 1.00 0.00 C ATOM 754 CE1 PHE A 54 7.399 -0.951 5.583 1.00 0.00 C ATOM 755 CE2 PHE A 54 5.899 -1.687 7.293 1.00 0.00 C ATOM 756 CZ PHE A 54 7.135 -1.200 6.916 1.00 0.00 C ATOM 0 H PHE A 54 3.827 -4.558 5.038 1.00 0.00 H new ATOM 0 HA PHE A 54 3.757 -3.317 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.233 -1.200 3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.142 -1.765 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.636 -0.986 3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.962 -2.297 6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.366 -0.574 5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.691 -1.886 8.334 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.894 -1.014 7.662 1.00 0.00 H new ATOM 766 N LYS A 55 6.123 -3.942 2.056 1.00 0.00 N ATOM 767 CA LYS A 55 7.494 -4.386 1.832 1.00 0.00 C ATOM 768 C LYS A 55 8.188 -3.507 0.797 1.00 0.00 C ATOM 769 O LYS A 55 8.026 -3.702 -0.408 1.00 0.00 O ATOM 770 CB LYS A 55 7.511 -5.845 1.372 1.00 0.00 C ATOM 771 CG LYS A 55 8.908 -6.399 1.156 1.00 0.00 C ATOM 772 CD LYS A 55 9.666 -6.528 2.467 1.00 0.00 C ATOM 773 CE LYS A 55 9.381 -7.859 3.146 1.00 0.00 C ATOM 774 NZ LYS A 55 10.379 -8.164 4.208 1.00 0.00 N ATOM 0 H LYS A 55 5.598 -3.747 1.203 1.00 0.00 H new ATOM 0 HA LYS A 55 8.035 -4.303 2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.997 -6.457 2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.948 -5.931 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.843 -7.375 0.675 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.459 -5.746 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.736 -6.435 2.281 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.386 -5.711 3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.382 -7.838 3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.388 -8.655 2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.150 -9.079 4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.330 -8.209 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.355 -7.417 4.932 1.00 0.00 H new ATOM 788 N THR A 56 8.964 -2.538 1.274 1.00 0.00 N ATOM 789 CA THR A 56 9.683 -1.630 0.390 1.00 0.00 C ATOM 790 C THR A 56 11.178 -1.928 0.393 1.00 0.00 C ATOM 791 O THR A 56 11.750 -2.275 1.427 1.00 0.00 O ATOM 792 CB THR A 56 9.464 -0.160 0.795 1.00 0.00 C ATOM 793 OG1 THR A 56 8.068 0.090 0.993 1.00 0.00 O ATOM 794 CG2 THR A 56 10.008 0.782 -0.268 1.00 0.00 C ATOM 0 H THR A 56 9.110 -2.362 2.268 1.00 0.00 H new ATOM 0 HA THR A 56 9.286 -1.786 -0.613 1.00 0.00 H new ATOM 0 HB THR A 56 10.001 0.021 1.726 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.932 0.510 1.868 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.842 1.814 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.077 0.609 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.496 0.599 -1.213 1.00 0.00 H new ATOM 802 N PHE A 57 11.807 -1.790 -0.770 1.00 0.00 N ATOM 803 CA PHE A 57 13.237 -2.046 -0.901 1.00 0.00 C ATOM 804 C PHE A 57 13.934 -0.885 -1.605 1.00 0.00 C ATOM 805 O PHE A 57 13.790 -0.701 -2.813 1.00 0.00 O ATOM 806 CB PHE A 57 13.476 -3.344 -1.674 1.00 0.00 C ATOM 807 CG PHE A 57 12.847 -4.548 -1.033 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.364 -5.073 0.141 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.740 -5.155 -1.603 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.788 -6.181 0.734 1.00 0.00 C ATOM 811 CE2 PHE A 57 11.160 -6.263 -1.015 1.00 0.00 C ATOM 812 CZ PHE A 57 11.685 -6.777 0.155 1.00 0.00 C ATOM 0 H PHE A 57 11.349 -1.502 -1.635 1.00 0.00 H new ATOM 0 HA PHE A 57 13.656 -2.146 0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.083 -3.233 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.549 -3.510 -1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.227 -4.611 0.598 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.325 -4.758 -2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.200 -6.580 1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.297 -6.727 -1.470 1.00 0.00 H new ATOM 0 HZ PHE A 57 11.234 -7.643 0.616 1.00 0.00 H new ATOM 822 N GLY A 58 14.691 -0.105 -0.839 1.00 0.00 N ATOM 823 CA GLY A 58 15.399 1.028 -1.406 1.00 0.00 C ATOM 824 C GLY A 58 15.588 2.152 -0.407 1.00 0.00 C ATOM 825 O GLY A 58 15.936 1.913 0.750 1.00 0.00 O ATOM 0 H GLY A 58 14.826 -0.237 0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.373 0.700 -1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.848 1.402 -2.269 1.00 0.00 H new ATOM 829 N CYS A 59 15.360 3.383 -0.852 1.00 0.00 N ATOM 830 CA CYS A 59 15.509 4.549 0.009 1.00 0.00 C ATOM 831 C CYS A 59 14.570 4.462 1.209 1.00 0.00 C ATOM 832 O CYS A 59 13.704 3.591 1.271 1.00 0.00 O ATOM 833 CB CYS A 59 15.231 5.831 -0.778 1.00 0.00 C ATOM 834 SG CYS A 59 13.462 6.149 -1.079 1.00 0.00 S ATOM 0 H CYS A 59 15.071 3.599 -1.806 1.00 0.00 H new ATOM 0 HA CYS A 59 16.536 4.571 0.373 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.654 6.677 -0.236 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.748 5.776 -1.736 1.00 0.00 H new ATOM 0 HG CYS A 59 12.993 6.917 -0.140 1.00 0.00 H new ATOM 839 N GLY A 60 14.749 5.374 2.161 1.00 0.00 N ATOM 840 CA GLY A 60 13.911 5.383 3.346 1.00 0.00 C ATOM 841 C GLY A 60 12.536 5.963 3.079 1.00 0.00 C ATOM 842 O GLY A 60 11.521 5.310 3.321 1.00 0.00 O ATOM 0 H GLY A 60 15.459 6.106 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.806 4.365 3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.400 5.962 4.129 1.00 0.00 H new ATOM 846 N SER A 61 12.501 7.194 2.579 1.00 0.00 N ATOM 847 CA SER A 61 11.240 7.865 2.284 1.00 0.00 C ATOM 848 C SER A 61 10.199 6.868 1.783 1.00 0.00 C ATOM 849 O SER A 61 9.029 6.936 2.156 1.00 0.00 O ATOM 850 CB SER A 61 11.454 8.964 1.242 1.00 0.00 C ATOM 851 OG SER A 61 12.404 8.566 0.269 1.00 0.00 O ATOM 0 H SER A 61 13.332 7.747 2.370 1.00 0.00 H new ATOM 0 HA SER A 61 10.872 8.316 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.507 9.198 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.793 9.875 1.734 1.00 0.00 H new ATOM 0 HG SER A 61 11.938 8.250 -0.533 1.00 0.00 H new ATOM 857 N ALA A 62 10.636 5.943 0.934 1.00 0.00 N ATOM 858 CA ALA A 62 9.744 4.931 0.382 1.00 0.00 C ATOM 859 C ALA A 62 9.280 3.960 1.463 1.00 0.00 C ATOM 860 O ALA A 62 8.087 3.687 1.594 1.00 0.00 O ATOM 861 CB ALA A 62 10.434 4.178 -0.746 1.00 0.00 C ATOM 0 H ALA A 62 11.602 5.874 0.614 1.00 0.00 H new ATOM 0 HA ALA A 62 8.865 5.436 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.756 3.425 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.710 4.878 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.331 3.691 -0.363 1.00 0.00 H new ATOM 867 N ILE A 63 10.230 3.442 2.233 1.00 0.00 N ATOM 868 CA ILE A 63 9.918 2.502 3.303 1.00 0.00 C ATOM 869 C ILE A 63 8.953 3.117 4.311 1.00 0.00 C ATOM 870 O ILE A 63 8.099 2.428 4.868 1.00 0.00 O ATOM 871 CB ILE A 63 11.190 2.044 4.040 1.00 0.00 C ATOM 872 CG1 ILE A 63 12.117 1.291 3.084 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.827 1.171 5.232 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.551 1.222 3.561 1.00 0.00 C ATOM 0 H ILE A 63 11.222 3.657 2.136 1.00 0.00 H new ATOM 0 HA ILE A 63 9.448 1.637 2.835 1.00 0.00 H new ATOM 0 HB ILE A 63 11.716 2.925 4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.739 0.278 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.090 1.776 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.737 0.855 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.202 1.738 5.922 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.281 0.293 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.150 0.674 2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.947 2.232 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.590 0.711 4.523 1.00 0.00 H new ATOM 886 N ALA A 64 9.094 4.419 4.538 1.00 0.00 N ATOM 887 CA ALA A 64 8.232 5.128 5.476 1.00 0.00 C ATOM 888 C ALA A 64 6.836 5.327 4.896 1.00 0.00 C ATOM 889 O ALA A 64 5.856 4.789 5.412 1.00 0.00 O ATOM 890 CB ALA A 64 8.847 6.469 5.848 1.00 0.00 C ATOM 0 H ALA A 64 9.797 5.004 4.085 1.00 0.00 H new ATOM 0 HA ALA A 64 8.140 4.521 6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.193 6.987 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.820 6.307 6.312 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.970 7.075 4.950 1.00 0.00 H new ATOM 896 N SER A 65 6.752 6.104 3.820 1.00 0.00 N ATOM 897 CA SER A 65 5.475 6.378 3.173 1.00 0.00 C ATOM 898 C SER A 65 4.594 5.132 3.160 1.00 0.00 C ATOM 899 O SER A 65 3.377 5.217 3.320 1.00 0.00 O ATOM 900 CB SER A 65 5.699 6.872 1.743 1.00 0.00 C ATOM 901 OG SER A 65 6.162 8.212 1.733 1.00 0.00 O ATOM 0 H SER A 65 7.554 6.554 3.379 1.00 0.00 H new ATOM 0 HA SER A 65 4.967 7.156 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.424 6.230 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.768 6.801 1.180 1.00 0.00 H new ATOM 0 HG SER A 65 7.134 8.223 1.856 1.00 0.00 H new ATOM 907 N SER A 66 5.220 3.975 2.968 1.00 0.00 N ATOM 908 CA SER A 66 4.494 2.711 2.929 1.00 0.00 C ATOM 909 C SER A 66 3.946 2.356 4.309 1.00 0.00 C ATOM 910 O SER A 66 2.734 2.292 4.510 1.00 0.00 O ATOM 911 CB SER A 66 5.406 1.590 2.427 1.00 0.00 C ATOM 912 OG SER A 66 6.544 1.447 3.259 1.00 0.00 O ATOM 0 H SER A 66 6.228 3.887 2.837 1.00 0.00 H new ATOM 0 HA SER A 66 3.655 2.823 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.852 0.652 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.723 1.804 1.406 1.00 0.00 H new ATOM 0 HG SER A 66 6.393 0.719 3.897 1.00 0.00 H new ATOM 918 N SER A 67 4.850 2.127 5.256 1.00 0.00 N ATOM 919 CA SER A 67 4.459 1.776 6.616 1.00 0.00 C ATOM 920 C SER A 67 3.240 2.580 7.056 1.00 0.00 C ATOM 921 O SER A 67 2.336 2.054 7.708 1.00 0.00 O ATOM 922 CB SER A 67 5.620 2.019 7.582 1.00 0.00 C ATOM 923 OG SER A 67 5.723 3.391 7.921 1.00 0.00 O ATOM 0 H SER A 67 5.858 2.178 5.107 1.00 0.00 H new ATOM 0 HA SER A 67 4.199 0.718 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.475 1.428 8.486 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.552 1.683 7.127 1.00 0.00 H new ATOM 0 HG SER A 67 5.774 3.927 7.102 1.00 0.00 H new ATOM 929 N LEU A 68 3.221 3.859 6.696 1.00 0.00 N ATOM 930 CA LEU A 68 2.113 4.738 7.052 1.00 0.00 C ATOM 931 C LEU A 68 0.880 4.430 6.209 1.00 0.00 C ATOM 932 O LEU A 68 -0.238 4.383 6.721 1.00 0.00 O ATOM 933 CB LEU A 68 2.518 6.201 6.868 1.00 0.00 C ATOM 934 CG LEU A 68 1.381 7.223 6.916 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.862 8.527 7.534 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.823 7.466 5.521 1.00 0.00 C ATOM 0 H LEU A 68 3.961 4.310 6.158 1.00 0.00 H new ATOM 0 HA LEU A 68 1.866 4.564 8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.243 6.457 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.027 6.298 5.909 1.00 0.00 H new ATOM 0 HG LEU A 68 0.583 6.821 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.040 9.242 7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.213 8.341 8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.678 8.934 6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.015 8.196 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.613 7.846 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.440 6.530 5.114 1.00 0.00 H new ATOM 948 N ALA A 69 1.093 4.218 4.914 1.00 0.00 N ATOM 949 CA ALA A 69 0.000 3.909 4.001 1.00 0.00 C ATOM 950 C ALA A 69 -0.639 2.567 4.342 1.00 0.00 C ATOM 951 O ALA A 69 -1.824 2.496 4.668 1.00 0.00 O ATOM 952 CB ALA A 69 0.497 3.909 2.563 1.00 0.00 C ATOM 0 H ALA A 69 2.013 4.255 4.474 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.761 4.682 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.330 3.677 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.899 4.892 2.317 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.279 3.158 2.448 1.00 0.00 H new ATOM 958 N THR A 70 0.155 1.503 4.264 1.00 0.00 N ATOM 959 CA THR A 70 -0.333 0.163 4.562 1.00 0.00 C ATOM 960 C THR A 70 -1.203 0.160 5.814 1.00 0.00 C ATOM 961 O THR A 70 -2.128 -0.642 5.937 1.00 0.00 O ATOM 962 CB THR A 70 0.830 -0.828 4.757 1.00 0.00 C ATOM 963 OG1 THR A 70 0.370 -2.169 4.557 1.00 0.00 O ATOM 964 CG2 THR A 70 1.428 -0.695 6.149 1.00 0.00 C ATOM 0 H THR A 70 1.139 1.544 3.997 1.00 0.00 H new ATOM 0 HA THR A 70 -0.931 -0.153 3.707 1.00 0.00 H new ATOM 0 HB THR A 70 1.602 -0.595 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.786 -2.760 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.247 -1.405 6.262 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.804 0.318 6.288 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.662 -0.903 6.896 1.00 0.00 H new ATOM 972 N GLU A 71 -0.900 1.063 6.742 1.00 0.00 N ATOM 973 CA GLU A 71 -1.655 1.164 7.985 1.00 0.00 C ATOM 974 C GLU A 71 -2.955 1.934 7.771 1.00 0.00 C ATOM 975 O GLU A 71 -3.967 1.656 8.416 1.00 0.00 O ATOM 976 CB GLU A 71 -0.815 1.850 9.064 1.00 0.00 C ATOM 977 CG GLU A 71 -1.622 2.291 10.274 1.00 0.00 C ATOM 978 CD GLU A 71 -0.808 2.278 11.554 1.00 0.00 C ATOM 979 OE1 GLU A 71 -0.175 1.241 11.843 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.804 3.304 12.266 1.00 0.00 O ATOM 0 H GLU A 71 -0.137 1.735 6.656 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.901 0.154 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.030 1.168 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.321 2.720 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.007 3.296 10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.485 1.635 10.390 1.00 0.00 H new ATOM 987 N TRP A 72 -2.920 2.901 6.862 1.00 0.00 N ATOM 988 CA TRP A 72 -4.095 3.712 6.563 1.00 0.00 C ATOM 989 C TRP A 72 -5.213 2.856 5.980 1.00 0.00 C ATOM 990 O TRP A 72 -6.378 3.004 6.350 1.00 0.00 O ATOM 991 CB TRP A 72 -3.731 4.832 5.587 1.00 0.00 C ATOM 992 CG TRP A 72 -3.104 6.020 6.252 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.616 6.083 7.526 1.00 0.00 C ATOM 994 CD2 TRP A 72 -2.901 7.316 5.677 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.121 7.340 7.778 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.283 8.114 6.660 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.178 7.878 4.429 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -1.941 9.444 6.430 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.838 9.198 4.202 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.224 9.969 5.198 1.00 0.00 C ATOM 0 H TRP A 72 -2.091 3.143 6.319 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.449 4.152 7.495 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.045 4.441 4.836 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.630 5.152 5.061 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.619 5.265 8.232 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.701 7.647 8.655 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.650 7.291 3.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.469 10.040 7.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.049 9.643 3.241 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.969 10.998 4.990 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.853 1.960 5.067 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.826 1.078 4.434 1.00 0.00 C ATOM 1013 C VAL A 73 -6.490 0.166 5.460 1.00 0.00 C ATOM 1014 O VAL A 73 -7.642 -0.236 5.297 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.173 0.214 3.340 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.521 1.092 2.283 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.159 -0.741 3.951 1.00 0.00 C ATOM 0 H VAL A 73 -3.893 1.826 4.749 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.582 1.717 3.977 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.950 -0.378 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.065 0.463 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.276 1.731 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.754 1.712 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.707 -1.344 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.383 -0.170 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.659 -1.394 4.666 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.754 -0.158 6.518 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.270 -1.023 7.573 1.00 0.00 C ATOM 1029 C LYS A 74 -7.483 -0.391 8.250 1.00 0.00 C ATOM 1030 O LYS A 74 -7.485 0.800 8.555 1.00 0.00 O ATOM 1031 CB LYS A 74 -5.181 -1.301 8.611 1.00 0.00 C ATOM 1032 CG LYS A 74 -4.047 -2.164 8.086 1.00 0.00 C ATOM 1033 CD LYS A 74 -3.013 -2.443 9.165 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.753 -3.064 8.582 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.910 -3.698 9.633 1.00 0.00 N ATOM 0 H LYS A 74 -4.798 0.165 6.668 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.579 -1.964 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.773 -0.353 8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.630 -1.792 9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.448 -3.106 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.569 -1.665 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.759 -1.514 9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.438 -3.113 9.913 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.027 -3.811 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.175 -2.297 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.061 -4.110 9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.627 -2.980 10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.453 -4.447 10.108 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.512 -1.199 8.483 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.716 -0.702 9.123 1.00 0.00 C ATOM 1051 C GLY A 75 -10.716 -0.149 8.127 1.00 0.00 C ATOM 1052 O GLY A 75 -11.925 -0.201 8.355 1.00 0.00 O ATOM 0 H GLY A 75 -8.534 -2.189 8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.181 -1.508 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.449 0.078 9.836 1.00 0.00 H new ATOM 1056 N LYS A 76 -10.213 0.384 7.019 1.00 0.00 N ATOM 1057 CA LYS A 76 -11.070 0.950 5.984 1.00 0.00 C ATOM 1058 C LYS A 76 -11.374 -0.084 4.904 1.00 0.00 C ATOM 1059 O LYS A 76 -10.805 -1.176 4.897 1.00 0.00 O ATOM 1060 CB LYS A 76 -10.405 2.177 5.357 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.937 3.202 6.375 1.00 0.00 C ATOM 1062 CD LYS A 76 -9.163 4.331 5.715 1.00 0.00 C ATOM 1063 CE LYS A 76 -9.127 5.571 6.595 1.00 0.00 C ATOM 1064 NZ LYS A 76 -8.369 6.682 5.956 1.00 0.00 N ATOM 0 H LYS A 76 -9.215 0.436 6.814 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.009 1.251 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.551 1.853 4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.109 2.652 4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.798 3.611 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.308 2.715 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.145 4.002 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.622 4.577 4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.146 5.899 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.670 5.323 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.367 7.509 6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.390 6.378 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.820 6.936 5.054 1.00 0.00 H new ATOM 1078 N THR A 77 -12.274 0.267 3.991 1.00 0.00 N ATOM 1079 CA THR A 77 -12.653 -0.629 2.907 1.00 0.00 C ATOM 1080 C THR A 77 -11.921 -0.274 1.618 1.00 0.00 C ATOM 1081 O THR A 77 -11.389 0.828 1.477 1.00 0.00 O ATOM 1082 CB THR A 77 -14.171 -0.589 2.649 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.580 0.747 2.336 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.939 -1.089 3.863 1.00 0.00 C ATOM 0 H THR A 77 -12.754 1.167 3.981 1.00 0.00 H new ATOM 0 HA THR A 77 -12.371 -1.635 3.217 1.00 0.00 H new ATOM 0 HB THR A 77 -14.391 -1.243 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 77 -14.987 1.158 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 77 -16.009 -1.052 3.657 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.647 -2.116 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.712 -0.458 4.722 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.897 -1.213 0.677 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.231 -0.998 -0.602 1.00 0.00 C ATOM 1094 C VAL A 78 -11.602 0.357 -1.193 1.00 0.00 C ATOM 1095 O VAL A 78 -10.736 1.105 -1.647 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.589 -2.102 -1.614 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.233 -3.473 -1.057 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.065 -2.033 -1.978 1.00 0.00 C ATOM 0 H VAL A 78 -12.331 -2.130 0.777 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.159 -1.026 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.006 -1.942 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.493 -4.241 -1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.163 -3.516 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.787 -3.646 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.300 -2.820 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.668 -2.167 -1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.285 -1.062 -2.421 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.894 0.667 -1.184 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.379 1.934 -1.720 1.00 0.00 C ATOM 1110 C GLU A 79 -12.708 3.113 -1.022 1.00 0.00 C ATOM 1111 O GLU A 79 -12.214 4.033 -1.673 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.898 2.032 -1.562 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.653 0.887 -2.216 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.089 0.787 -1.740 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.370 1.232 -0.608 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.932 0.265 -2.500 1.00 0.00 O ATOM 0 H GLU A 79 -13.624 0.059 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.127 1.970 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.143 2.058 -0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.240 2.974 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.641 1.020 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.138 -0.050 -2.005 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.694 3.077 0.307 1.00 0.00 N ATOM 1124 CA GLU A 80 -12.085 4.144 1.093 1.00 0.00 C ATOM 1125 C GLU A 80 -10.618 4.328 0.714 1.00 0.00 C ATOM 1126 O GLU A 80 -10.143 5.453 0.558 1.00 0.00 O ATOM 1127 CB GLU A 80 -12.203 3.837 2.587 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.635 3.657 3.061 1.00 0.00 C ATOM 1129 CD GLU A 80 -14.424 4.952 3.039 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.799 6.030 3.120 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -15.667 4.887 2.940 1.00 0.00 O ATOM 0 H GLU A 80 -13.097 2.321 0.861 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.617 5.070 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.639 2.931 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.741 4.646 3.153 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -14.133 2.922 2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.631 3.256 4.074 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.906 3.215 0.569 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.494 3.253 0.208 1.00 0.00 C ATOM 1140 C ALA A 81 -8.284 3.994 -1.108 1.00 0.00 C ATOM 1141 O ALA A 81 -7.359 4.796 -1.240 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.935 1.841 0.116 1.00 0.00 C ATOM 0 H ALA A 81 -10.284 2.276 0.696 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.959 3.794 0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.880 1.884 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.043 1.344 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.482 1.282 -0.644 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.148 3.721 -2.080 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.056 4.362 -3.387 1.00 0.00 C ATOM 1150 C LEU A 82 -9.033 5.881 -3.249 1.00 0.00 C ATOM 1151 O LEU A 82 -8.539 6.588 -4.127 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.232 3.937 -4.269 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.004 2.701 -5.141 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.949 2.982 -6.199 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.600 1.511 -4.284 1.00 0.00 C ATOM 0 H LEU A 82 -9.920 3.060 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.124 4.044 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.093 3.751 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.494 4.772 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.939 2.458 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.800 2.092 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.279 3.805 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.010 3.251 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.442 0.641 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.678 1.743 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.390 1.296 -3.565 1.00 0.00 H new ATOM 1167 N THR A 83 -9.570 6.377 -2.138 1.00 0.00 N ATOM 1168 CA THR A 83 -9.610 7.811 -1.883 1.00 0.00 C ATOM 1169 C THR A 83 -8.272 8.314 -1.353 1.00 0.00 C ATOM 1170 O THR A 83 -7.965 9.502 -1.444 1.00 0.00 O ATOM 1171 CB THR A 83 -10.717 8.172 -0.875 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.274 7.895 0.458 1.00 0.00 O ATOM 1173 CG2 THR A 83 -11.989 7.390 -1.165 1.00 0.00 C ATOM 0 H THR A 83 -9.983 5.806 -1.401 1.00 0.00 H new ATOM 0 HA THR A 83 -9.825 8.295 -2.836 1.00 0.00 H new ATOM 0 HB THR A 83 -10.934 9.236 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.422 6.948 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.756 7.662 -0.440 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.340 7.625 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.784 6.322 -1.093 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.480 7.401 -0.801 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.173 7.752 -0.258 1.00 0.00 C ATOM 1183 C ILE A 84 -5.223 8.205 -1.362 1.00 0.00 C ATOM 1184 O ILE A 84 -4.795 7.406 -2.194 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.540 6.567 0.495 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.379 6.208 1.723 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.112 6.901 0.901 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.958 4.915 2.385 1.00 0.00 C ATOM 0 H ILE A 84 -7.720 6.413 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.331 8.573 0.441 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.516 5.703 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.310 7.018 2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.426 6.132 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.677 6.054 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.521 7.113 0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.114 7.775 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.596 4.724 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.053 4.094 1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.921 4.994 2.711 1.00 0.00 H new ATOM 1200 N LYS A 85 -4.896 9.493 -1.361 1.00 0.00 N ATOM 1201 CA LYS A 85 -3.994 10.054 -2.360 1.00 0.00 C ATOM 1202 C LYS A 85 -2.574 10.159 -1.812 1.00 0.00 C ATOM 1203 O LYS A 85 -2.330 9.887 -0.638 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.484 11.434 -2.803 1.00 0.00 C ATOM 1205 CG LYS A 85 -5.416 11.392 -4.001 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.696 10.636 -3.687 1.00 0.00 C ATOM 1207 CE LYS A 85 -7.335 10.073 -4.947 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.622 9.382 -4.656 1.00 0.00 N ATOM 0 H LYS A 85 -5.242 10.168 -0.679 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.985 9.385 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.998 11.913 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.622 12.056 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.659 12.409 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.909 10.917 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.479 9.823 -2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.400 11.302 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.509 10.881 -5.658 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.647 9.374 -5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.240 9.433 -5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.436 8.386 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.090 9.844 -3.851 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.641 10.556 -2.672 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.245 10.698 -2.273 1.00 0.00 C ATOM 1224 C ASN A 86 -0.036 11.980 -1.473 1.00 0.00 C ATOM 1225 O ASN A 86 0.725 12.004 -0.505 1.00 0.00 O ATOM 1226 CB ASN A 86 0.661 10.699 -3.506 1.00 0.00 C ATOM 1227 CG ASN A 86 0.371 11.860 -4.436 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -0.489 11.769 -5.312 1.00 0.00 O ATOM 1229 ND2 ASN A 86 1.091 12.961 -4.250 1.00 0.00 N ATOM 0 H ASN A 86 -1.826 10.785 -3.649 1.00 0.00 H new ATOM 0 HA ASN A 86 0.015 9.850 -1.640 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.703 10.743 -3.188 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.533 9.762 -4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.941 13.775 -4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.794 12.992 -3.511 1.00 0.00 H new ATOM 1236 N THR A 87 -0.716 13.046 -1.884 1.00 0.00 N ATOM 1237 CA THR A 87 -0.605 14.332 -1.207 1.00 0.00 C ATOM 1238 C THR A 87 -0.589 14.156 0.307 1.00 0.00 C ATOM 1239 O THR A 87 0.391 14.494 0.970 1.00 0.00 O ATOM 1240 CB THR A 87 -1.763 15.271 -1.592 1.00 0.00 C ATOM 1241 OG1 THR A 87 -3.018 14.647 -1.299 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.702 15.628 -3.070 1.00 0.00 C ATOM 0 H THR A 87 -1.350 13.044 -2.683 1.00 0.00 H new ATOM 0 HA THR A 87 0.336 14.779 -1.528 1.00 0.00 H new ATOM 0 HB THR A 87 -1.668 16.187 -1.009 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.749 15.251 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.530 16.292 -3.318 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.758 16.129 -3.285 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.774 14.719 -3.667 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.681 13.626 0.847 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.792 13.404 2.284 1.00 0.00 C ATOM 1252 C ASP A 88 -0.479 12.878 2.856 1.00 0.00 C ATOM 1253 O ASP A 88 0.136 13.516 3.711 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.924 12.420 2.584 1.00 0.00 C ATOM 1255 CG ASP A 88 -4.293 13.012 2.312 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -4.765 13.821 3.139 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -4.892 12.667 1.273 1.00 0.00 O ATOM 0 H ASP A 88 -2.502 13.342 0.312 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.017 14.360 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.792 11.523 1.978 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.866 12.111 3.628 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.057 11.712 2.379 1.00 0.00 N ATOM 1263 CA ILE A 89 1.182 11.101 2.843 1.00 0.00 C ATOM 1264 C ILE A 89 2.342 12.089 2.773 1.00 0.00 C ATOM 1265 O ILE A 89 2.920 12.456 3.795 1.00 0.00 O ATOM 1266 CB ILE A 89 1.537 9.851 2.016 1.00 0.00 C ATOM 1267 CG1 ILE A 89 0.407 8.823 2.095 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.845 9.247 2.505 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.513 7.727 1.057 1.00 0.00 C ATOM 0 H ILE A 89 -0.555 11.172 1.672 1.00 0.00 H new ATOM 0 HA ILE A 89 1.020 10.807 3.880 1.00 0.00 H new ATOM 0 HB ILE A 89 1.662 10.146 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.405 8.373 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.548 9.335 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.083 8.364 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.645 9.980 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.745 8.963 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.321 7.035 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.484 8.166 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.452 7.190 1.190 1.00 0.00 H new ATOM 1281 N ALA A 90 2.675 12.517 1.560 1.00 0.00 N ATOM 1282 CA ALA A 90 3.763 13.466 1.357 1.00 0.00 C ATOM 1283 C ALA A 90 3.854 14.453 2.515 1.00 0.00 C ATOM 1284 O ALA A 90 4.907 14.603 3.136 1.00 0.00 O ATOM 1285 CB ALA A 90 3.578 14.208 0.042 1.00 0.00 C ATOM 0 H ALA A 90 2.207 12.222 0.703 1.00 0.00 H new ATOM 0 HA ALA A 90 4.697 12.906 1.317 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.398 14.913 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.571 13.493 -0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.632 14.750 0.060 1.00 0.00 H new ATOM 1291 N LYS A 91 2.745 15.126 2.802 1.00 0.00 N ATOM 1292 CA LYS A 91 2.698 16.099 3.887 1.00 0.00 C ATOM 1293 C LYS A 91 2.877 15.416 5.239 1.00 0.00 C ATOM 1294 O LYS A 91 3.774 15.763 6.005 1.00 0.00 O ATOM 1295 CB LYS A 91 1.371 16.861 3.859 1.00 0.00 C ATOM 1296 CG LYS A 91 1.429 18.208 4.557 1.00 0.00 C ATOM 1297 CD LYS A 91 0.047 18.676 4.981 1.00 0.00 C ATOM 1298 CE LYS A 91 0.015 20.179 5.215 1.00 0.00 C ATOM 1299 NZ LYS A 91 0.517 20.540 6.570 1.00 0.00 N ATOM 0 H LYS A 91 1.865 15.015 2.297 1.00 0.00 H new ATOM 0 HA LYS A 91 3.517 16.804 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.070 17.011 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.601 16.250 4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.075 18.138 5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.875 18.946 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.680 18.411 4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.250 18.158 5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.621 20.677 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.005 20.543 5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.479 21.572 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.077 20.085 7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.499 20.215 6.674 1.00 0.00 H new ATOM 1313 N GLU A 92 2.017 14.442 5.523 1.00 0.00 N ATOM 1314 CA GLU A 92 2.082 13.711 6.783 1.00 0.00 C ATOM 1315 C GLU A 92 3.531 13.453 7.188 1.00 0.00 C ATOM 1316 O GLU A 92 3.919 13.691 8.333 1.00 0.00 O ATOM 1317 CB GLU A 92 1.330 12.384 6.667 1.00 0.00 C ATOM 1318 CG GLU A 92 0.851 11.837 8.001 1.00 0.00 C ATOM 1319 CD GLU A 92 0.105 12.871 8.822 1.00 0.00 C ATOM 1320 OE1 GLU A 92 -0.562 13.737 8.218 1.00 0.00 O ATOM 1321 OE2 GLU A 92 0.188 12.815 10.066 1.00 0.00 O ATOM 0 H GLU A 92 1.269 14.142 4.898 1.00 0.00 H new ATOM 0 HA GLU A 92 1.611 14.322 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.471 12.519 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.980 11.648 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.201 10.980 7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.708 11.476 8.570 1.00 0.00 H new ATOM 1328 N LEU A 93 4.325 12.965 6.242 1.00 0.00 N ATOM 1329 CA LEU A 93 5.731 12.673 6.500 1.00 0.00 C ATOM 1330 C LEU A 93 6.590 13.920 6.309 1.00 0.00 C ATOM 1331 O LEU A 93 7.701 14.007 6.833 1.00 0.00 O ATOM 1332 CB LEU A 93 6.219 11.557 5.574 1.00 0.00 C ATOM 1333 CG LEU A 93 5.770 10.141 5.935 1.00 0.00 C ATOM 1334 CD1 LEU A 93 4.252 10.044 5.925 1.00 0.00 C ATOM 1335 CD2 LEU A 93 6.377 9.128 4.977 1.00 0.00 C ATOM 0 H LEU A 93 4.020 12.763 5.290 1.00 0.00 H new ATOM 0 HA LEU A 93 5.824 12.345 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.879 11.777 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.309 11.578 5.556 1.00 0.00 H new ATOM 0 HG LEU A 93 6.122 9.915 6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.951 9.029 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.838 10.742 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.878 10.291 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.046 8.126 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.056 9.352 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.464 9.179 5.034 1.00 0.00 H new ATOM 1347 N CYS A 94 6.067 14.882 5.557 1.00 0.00 N ATOM 1348 CA CYS A 94 6.785 16.125 5.298 1.00 0.00 C ATOM 1349 C CYS A 94 8.067 15.859 4.516 1.00 0.00 C ATOM 1350 O CYS A 94 9.109 16.457 4.791 1.00 0.00 O ATOM 1351 CB CYS A 94 7.112 16.833 6.613 1.00 0.00 C ATOM 1352 SG CYS A 94 7.622 18.556 6.416 1.00 0.00 S ATOM 0 H CYS A 94 5.149 14.825 5.116 1.00 0.00 H new ATOM 0 HA CYS A 94 6.142 16.769 4.698 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.236 16.796 7.261 1.00 0.00 H new ATOM 0 HB3 CYS A 94 7.907 16.286 7.120 1.00 0.00 H new ATOM 0 HG CYS A 94 8.586 18.626 5.547 1.00 0.00 H new ATOM 1358 N LEU A 95 7.985 14.958 3.544 1.00 0.00 N ATOM 1359 CA LEU A 95 9.140 14.611 2.723 1.00 0.00 C ATOM 1360 C LEU A 95 9.474 15.737 1.749 1.00 0.00 C ATOM 1361 O LEU A 95 8.617 16.532 1.364 1.00 0.00 O ATOM 1362 CB LEU A 95 8.873 13.317 1.952 1.00 0.00 C ATOM 1363 CG LEU A 95 7.649 13.322 1.036 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.034 13.764 -0.368 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.000 11.946 1.005 1.00 0.00 C ATOM 0 H LEU A 95 7.131 14.454 3.305 1.00 0.00 H new ATOM 0 HA LEU A 95 9.993 14.463 3.385 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.752 13.089 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.760 12.506 2.671 1.00 0.00 H new ATOM 0 HG LEU A 95 6.925 14.034 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.150 13.761 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.452 14.770 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.777 13.078 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.130 11.969 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.717 11.214 0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.687 11.669 2.012 1.00 0.00 H new ATOM 1377 N PRO A 96 10.749 15.806 1.338 1.00 0.00 N ATOM 1378 CA PRO A 96 11.225 16.828 0.402 1.00 0.00 C ATOM 1379 C PRO A 96 10.680 16.622 -1.007 1.00 0.00 C ATOM 1380 O PRO A 96 10.072 15.599 -1.320 1.00 0.00 O ATOM 1381 CB PRO A 96 12.745 16.646 0.420 1.00 0.00 C ATOM 1382 CG PRO A 96 12.951 15.225 0.818 1.00 0.00 C ATOM 1383 CD PRO A 96 11.825 14.891 1.757 1.00 0.00 C ATOM 0 HA PRO A 96 10.899 17.828 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.180 16.850 -0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.217 17.328 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.940 14.570 -0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.917 15.092 1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.523 13.848 1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.108 15.053 2.797 1.00 0.00 H new ATOM 1391 N PRO A 97 10.902 17.617 -1.880 1.00 0.00 N ATOM 1392 CA PRO A 97 10.441 17.567 -3.270 1.00 0.00 C ATOM 1393 C PRO A 97 11.206 16.540 -4.098 1.00 0.00 C ATOM 1394 O PRO A 97 10.763 16.140 -5.174 1.00 0.00 O ATOM 1395 CB PRO A 97 10.718 18.982 -3.786 1.00 0.00 C ATOM 1396 CG PRO A 97 11.826 19.488 -2.929 1.00 0.00 C ATOM 1397 CD PRO A 97 11.619 18.866 -1.575 1.00 0.00 C ATOM 0 HA PRO A 97 9.395 17.268 -3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.005 18.971 -4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.834 19.614 -3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.796 19.211 -3.342 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.805 20.576 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.567 18.673 -1.072 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.037 19.514 -0.920 1.00 0.00 H new ATOM 1405 N VAL A 98 12.358 16.115 -3.588 1.00 0.00 N ATOM 1406 CA VAL A 98 13.184 15.132 -4.279 1.00 0.00 C ATOM 1407 C VAL A 98 12.694 13.714 -4.007 1.00 0.00 C ATOM 1408 O VAL A 98 12.817 12.829 -4.854 1.00 0.00 O ATOM 1409 CB VAL A 98 14.661 15.243 -3.856 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.813 14.961 -2.369 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.522 14.296 -4.678 1.00 0.00 C ATOM 0 H VAL A 98 12.740 16.436 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 98 13.102 15.343 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 98 15.000 16.262 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.863 15.044 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.227 15.683 -1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.458 13.954 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.563 14.387 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.185 13.271 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.436 14.550 -5.734 1.00 0.00 H new ATOM 1421 N LYS A 99 12.137 13.504 -2.819 1.00 0.00 N ATOM 1422 CA LYS A 99 11.626 12.194 -2.434 1.00 0.00 C ATOM 1423 C LYS A 99 10.151 12.057 -2.795 1.00 0.00 C ATOM 1424 O LYS A 99 9.424 11.267 -2.192 1.00 0.00 O ATOM 1425 CB LYS A 99 11.817 11.970 -0.932 1.00 0.00 C ATOM 1426 CG LYS A 99 13.274 11.905 -0.507 1.00 0.00 C ATOM 1427 CD LYS A 99 14.019 10.799 -1.236 1.00 0.00 C ATOM 1428 CE LYS A 99 14.664 11.311 -2.516 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.053 11.792 -2.282 1.00 0.00 N ATOM 0 H LYS A 99 12.028 14.225 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 99 12.188 11.438 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.324 12.775 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.322 11.042 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.755 12.862 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.333 11.737 0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.786 10.383 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.329 9.989 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.676 10.515 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 99 14.063 12.122 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.458 12.133 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.040 12.569 -1.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.633 11.011 -1.914 1.00 0.00 H new ATOM 1443 N LEU A 100 9.715 12.830 -3.784 1.00 0.00 N ATOM 1444 CA LEU A 100 8.325 12.795 -4.227 1.00 0.00 C ATOM 1445 C LEU A 100 7.973 11.428 -4.806 1.00 0.00 C ATOM 1446 O LEU A 100 6.934 10.854 -4.480 1.00 0.00 O ATOM 1447 CB LEU A 100 8.075 13.884 -5.272 1.00 0.00 C ATOM 1448 CG LEU A 100 7.695 15.261 -4.727 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.721 16.300 -5.838 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.323 15.216 -4.070 1.00 0.00 C ATOM 0 H LEU A 100 10.304 13.488 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 100 7.688 12.978 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.974 13.991 -5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.280 13.546 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 100 8.428 15.546 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.448 17.274 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.723 16.352 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.011 16.019 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.070 16.205 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.578 14.909 -4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.337 14.502 -3.247 1.00 0.00 H new ATOM 1462 N HIS A 101 8.847 10.912 -5.664 1.00 0.00 N ATOM 1463 CA HIS A 101 8.629 9.611 -6.286 1.00 0.00 C ATOM 1464 C HIS A 101 7.991 8.637 -5.300 1.00 0.00 C ATOM 1465 O HIS A 101 7.125 7.843 -5.670 1.00 0.00 O ATOM 1466 CB HIS A 101 9.952 9.040 -6.801 1.00 0.00 C ATOM 1467 CG HIS A 101 10.907 8.666 -5.710 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.590 9.596 -4.955 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.291 7.453 -5.247 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.354 8.972 -4.076 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.190 7.670 -4.232 1.00 0.00 N ATOM 0 H HIS A 101 9.712 11.374 -5.944 1.00 0.00 H new ATOM 0 HA HIS A 101 7.949 9.747 -7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.746 8.160 -7.410 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.426 9.774 -7.452 1.00 0.00 H new ATOM 0 HD2 HIS A 101 10.953 6.493 -5.609 1.00 0.00 H new ATOM 0 HE1 HIS A 101 13.002 9.445 -3.353 1.00 0.00 H new ATOM 0 HE2 HIS A 101 12.656 6.944 -3.687 1.00 0.00 H new ATOM 1479 N CYS A 102 8.425 8.703 -4.047 1.00 0.00 N ATOM 1480 CA CYS A 102 7.897 7.825 -3.007 1.00 0.00 C ATOM 1481 C CYS A 102 6.440 8.159 -2.703 1.00 0.00 C ATOM 1482 O CYS A 102 5.564 7.300 -2.794 1.00 0.00 O ATOM 1483 CB CYS A 102 8.737 7.944 -1.735 1.00 0.00 C ATOM 1484 SG CYS A 102 10.354 7.143 -1.841 1.00 0.00 S ATOM 0 H CYS A 102 9.141 9.355 -3.725 1.00 0.00 H new ATOM 0 HA CYS A 102 7.947 6.799 -3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.881 9.000 -1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.182 7.509 -0.904 1.00 0.00 H new ATOM 0 HG CYS A 102 10.905 7.428 -2.983 1.00 0.00 H new ATOM 1490 N SER A 103 6.190 9.413 -2.339 1.00 0.00 N ATOM 1491 CA SER A 103 4.840 9.859 -2.015 1.00 0.00 C ATOM 1492 C SER A 103 3.818 9.228 -2.956 1.00 0.00 C ATOM 1493 O SER A 103 2.844 8.619 -2.514 1.00 0.00 O ATOM 1494 CB SER A 103 4.751 11.384 -2.097 1.00 0.00 C ATOM 1495 OG SER A 103 4.710 11.822 -3.444 1.00 0.00 O ATOM 0 H SER A 103 6.904 10.137 -2.261 1.00 0.00 H new ATOM 0 HA SER A 103 4.614 9.542 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.860 11.728 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.609 11.829 -1.593 1.00 0.00 H new ATOM 0 HG SER A 103 5.589 11.691 -3.858 1.00 0.00 H new ATOM 1501 N MET A 104 4.049 9.378 -4.256 1.00 0.00 N ATOM 1502 CA MET A 104 3.150 8.822 -5.261 1.00 0.00 C ATOM 1503 C MET A 104 3.235 7.299 -5.283 1.00 0.00 C ATOM 1504 O MET A 104 2.224 6.613 -5.439 1.00 0.00 O ATOM 1505 CB MET A 104 3.486 9.384 -6.644 1.00 0.00 C ATOM 1506 CG MET A 104 4.928 9.146 -7.062 1.00 0.00 C ATOM 1507 SD MET A 104 5.449 10.231 -8.405 1.00 0.00 S ATOM 1508 CE MET A 104 5.741 11.757 -7.513 1.00 0.00 C ATOM 0 H MET A 104 4.851 9.880 -4.638 1.00 0.00 H new ATOM 0 HA MET A 104 2.131 9.107 -4.999 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.823 8.932 -7.382 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.287 10.456 -6.650 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.581 9.298 -6.203 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.046 8.108 -7.372 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.102 12.542 -7.916 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.513 11.611 -6.457 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.786 12.048 -7.622 1.00 0.00 H new ATOM 1518 N LEU A 105 4.446 6.777 -5.127 1.00 0.00 N ATOM 1519 CA LEU A 105 4.663 5.334 -5.130 1.00 0.00 C ATOM 1520 C LEU A 105 3.675 4.633 -4.203 1.00 0.00 C ATOM 1521 O LEU A 105 3.027 3.661 -4.590 1.00 0.00 O ATOM 1522 CB LEU A 105 6.096 5.013 -4.702 1.00 0.00 C ATOM 1523 CG LEU A 105 6.607 3.617 -5.061 1.00 0.00 C ATOM 1524 CD1 LEU A 105 7.187 3.606 -6.467 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.646 3.154 -4.050 1.00 0.00 C ATOM 0 H LEU A 105 5.293 7.331 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 105 4.503 4.970 -6.145 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.762 5.749 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.168 5.138 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 105 5.766 2.924 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.546 2.605 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.416 3.894 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.016 4.311 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.999 2.159 -4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.486 3.849 -4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.198 3.122 -3.057 1.00 0.00 H new ATOM 1537 N ALA A 106 3.564 5.135 -2.977 1.00 0.00 N ATOM 1538 CA ALA A 106 2.652 4.560 -1.996 1.00 0.00 C ATOM 1539 C ALA A 106 1.211 4.609 -2.491 1.00 0.00 C ATOM 1540 O ALA A 106 0.437 3.679 -2.270 1.00 0.00 O ATOM 1541 CB ALA A 106 2.781 5.287 -0.666 1.00 0.00 C ATOM 0 H ALA A 106 4.094 5.938 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 106 2.924 3.514 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.094 4.847 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.803 5.195 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.538 6.341 -0.802 1.00 0.00 H new ATOM 1547 N GLU A 107 0.857 5.702 -3.162 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.492 5.872 -3.686 1.00 0.00 C ATOM 1549 C GLU A 107 -0.809 4.805 -4.730 1.00 0.00 C ATOM 1550 O GLU A 107 -1.821 4.110 -4.636 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.653 7.265 -4.300 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.022 7.505 -4.914 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.007 8.602 -5.960 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -0.926 8.865 -6.528 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.075 9.199 -6.211 1.00 0.00 O ATOM 0 H GLU A 107 1.486 6.482 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.192 5.764 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.473 8.015 -3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.109 7.405 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.380 6.581 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.728 7.768 -4.127 1.00 0.00 H new ATOM 1562 N ASP A 108 0.063 4.681 -5.724 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.122 3.699 -6.786 1.00 0.00 C ATOM 1564 C ASP A 108 -0.211 2.288 -6.212 1.00 0.00 C ATOM 1565 O ASP A 108 -1.039 1.484 -6.640 1.00 0.00 O ATOM 1566 CB ASP A 108 1.027 3.782 -7.793 1.00 0.00 C ATOM 1567 CG ASP A 108 0.741 3.005 -9.063 1.00 0.00 C ATOM 1568 OD1 ASP A 108 -0.429 2.618 -9.271 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.685 2.786 -9.849 1.00 0.00 O ATOM 0 H ASP A 108 0.905 5.248 -5.817 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.059 3.924 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.212 4.827 -8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.938 3.398 -7.333 1.00 0.00 H new ATOM 1574 N ALA A 109 0.648 1.994 -5.242 1.00 0.00 N ATOM 1575 CA ALA A 109 0.666 0.682 -4.608 1.00 0.00 C ATOM 1576 C ALA A 109 -0.715 0.308 -4.081 1.00 0.00 C ATOM 1577 O ALA A 109 -1.218 -0.784 -4.350 1.00 0.00 O ATOM 1578 CB ALA A 109 1.689 0.652 -3.482 1.00 0.00 C ATOM 0 H ALA A 109 1.341 2.648 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 109 0.950 -0.053 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.691 -0.334 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.679 0.866 -3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.431 1.403 -2.736 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.323 1.219 -3.329 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.646 0.984 -2.764 1.00 0.00 C ATOM 1586 C ILE A 110 -3.646 0.600 -3.849 1.00 0.00 C ATOM 1587 O ILE A 110 -4.144 -0.526 -3.879 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.168 2.226 -2.018 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.244 2.570 -0.848 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.588 1.991 -1.527 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.338 4.015 -0.408 1.00 0.00 C ATOM 0 H ILE A 110 -0.920 2.127 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.546 0.161 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.178 3.069 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.485 1.925 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.215 2.351 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.943 2.878 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.238 1.789 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.602 1.138 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.656 4.187 0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.068 4.667 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.358 4.234 -0.092 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.934 1.541 -4.741 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.872 1.302 -5.831 1.00 0.00 C ATOM 1605 C LYS A 111 -4.655 -0.079 -6.443 1.00 0.00 C ATOM 1606 O LYS A 111 -5.577 -0.891 -6.508 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.720 2.378 -6.908 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.639 3.572 -6.710 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.978 4.649 -5.865 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.919 5.818 -5.619 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.232 6.947 -4.931 1.00 0.00 N ATOM 0 H LYS A 111 -3.531 2.478 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.882 1.345 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.686 2.724 -6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.920 1.934 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.913 3.986 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.562 3.247 -6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.666 4.224 -4.911 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.077 5.004 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -6.324 6.164 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.763 5.484 -5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -5.939 7.634 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -4.696 6.583 -4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -4.581 7.413 -5.594 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.430 -0.337 -6.889 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.091 -1.620 -7.492 1.00 0.00 C ATOM 1627 C ALA A 112 -3.622 -2.778 -6.653 1.00 0.00 C ATOM 1628 O ALA A 112 -4.147 -3.754 -7.187 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.584 -1.739 -7.667 1.00 0.00 C ATOM 0 H ALA A 112 -2.656 0.326 -6.844 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.564 -1.670 -8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.345 -2.702 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.228 -0.937 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.098 -1.663 -6.694 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.480 -2.662 -5.337 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.947 -3.699 -4.424 1.00 0.00 C ATOM 1637 C ALA A 113 -5.441 -3.948 -4.595 1.00 0.00 C ATOM 1638 O ALA A 113 -5.854 -5.002 -5.081 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.634 -3.315 -2.985 1.00 0.00 C ATOM 0 H ALA A 113 -3.046 -1.861 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.422 -4.624 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.988 -4.098 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.557 -3.195 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.132 -2.377 -2.742 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.249 -2.973 -4.191 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.699 -3.087 -4.299 1.00 0.00 C ATOM 1647 C LEU A 114 -8.109 -3.507 -5.707 1.00 0.00 C ATOM 1648 O LEU A 114 -8.734 -4.549 -5.897 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.363 -1.758 -3.936 1.00 0.00 C ATOM 1650 CG LEU A 114 -7.976 -1.161 -2.582 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.575 -2.260 -1.610 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.847 -0.154 -2.747 1.00 0.00 C ATOM 0 H LEU A 114 -5.924 -2.095 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.032 -3.855 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.124 -1.031 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.444 -1.898 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.843 -0.641 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.303 -1.817 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.412 -2.944 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.723 -2.808 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.584 0.261 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.977 -0.650 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.170 0.650 -3.409 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.752 -2.687 -6.690 1.00 0.00 N ATOM 1665 CA ALA A 115 -8.079 -2.975 -8.081 1.00 0.00 C ATOM 1666 C ALA A 115 -7.862 -4.450 -8.402 1.00 0.00 C ATOM 1667 O ALA A 115 -8.814 -5.182 -8.676 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.248 -2.103 -9.010 1.00 0.00 C ATOM 0 H ALA A 115 -7.236 -1.818 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.134 -2.748 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.503 -2.329 -10.046 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.456 -1.053 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.189 -2.302 -8.845 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.606 -4.880 -8.367 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.264 -6.268 -8.654 1.00 0.00 C ATOM 1676 C ASP A 116 -7.270 -7.219 -8.013 1.00 0.00 C ATOM 1677 O ASP A 116 -7.809 -8.107 -8.674 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.854 -6.583 -8.152 1.00 0.00 C ATOM 1679 CG ASP A 116 -3.783 -6.194 -9.152 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -4.053 -5.316 -9.998 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -2.675 -6.767 -9.088 1.00 0.00 O ATOM 0 H ASP A 116 -5.807 -4.287 -8.143 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.296 -6.408 -9.734 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.679 -6.056 -7.214 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.777 -7.649 -7.938 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.517 -7.028 -6.722 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.455 -7.871 -5.990 1.00 0.00 C ATOM 1688 C TYR A 117 -9.828 -7.865 -6.657 1.00 0.00 C ATOM 1689 O TYR A 117 -10.492 -8.897 -6.747 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.578 -7.395 -4.541 1.00 0.00 C ATOM 1691 CG TYR A 117 -9.939 -7.651 -3.933 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.225 -8.856 -3.305 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -10.937 -6.686 -3.986 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.467 -9.095 -2.749 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.182 -6.915 -3.431 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.442 -8.121 -2.814 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.680 -8.354 -2.260 1.00 0.00 O ATOM 0 H TYR A 117 -7.081 -6.297 -6.161 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.071 -8.891 -5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.820 -7.895 -3.938 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.366 -6.327 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.463 -9.620 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.737 -5.741 -4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.673 -10.039 -2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -12.947 -6.154 -3.480 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.250 -7.568 -2.391 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.245 -6.693 -7.125 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.537 -6.550 -7.786 1.00 0.00 C ATOM 1709 C LYS A 118 -11.547 -7.280 -9.125 1.00 0.00 C ATOM 1710 O LYS A 118 -12.495 -7.997 -9.446 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.863 -5.070 -7.999 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.105 -4.309 -6.706 1.00 0.00 C ATOM 1713 CD LYS A 118 -12.013 -2.807 -6.918 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.612 -2.087 -5.639 1.00 0.00 C ATOM 1715 NZ LYS A 118 -12.178 -0.712 -5.576 1.00 0.00 N ATOM 0 H LYS A 118 -9.707 -5.829 -7.059 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.297 -6.995 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.042 -4.600 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.748 -4.988 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.089 -4.562 -6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.374 -4.617 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.285 -2.593 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.974 -2.428 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.954 -2.660 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.525 -2.035 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.882 -0.255 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.832 -0.157 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -13.216 -0.762 -5.610 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.486 -7.095 -9.903 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.371 -7.738 -11.207 1.00 0.00 C ATOM 1731 C LEU A 119 -10.758 -9.211 -11.124 1.00 0.00 C ATOM 1732 O LEU A 119 -11.416 -9.743 -12.018 1.00 0.00 O ATOM 1733 CB LEU A 119 -8.944 -7.603 -11.741 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.314 -6.215 -11.629 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -6.994 -6.165 -12.383 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.269 -5.152 -12.151 1.00 0.00 C ATOM 0 H LEU A 119 -9.693 -6.505 -9.653 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.057 -7.239 -11.892 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.310 -8.312 -11.209 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.941 -7.898 -12.790 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.115 -6.011 -10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.560 -5.169 -12.292 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.307 -6.900 -11.963 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.167 -6.390 -13.435 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.804 -4.170 -12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.500 -5.352 -13.197 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.189 -5.171 -11.567 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.347 -9.865 -10.043 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.653 -11.276 -9.839 1.00 0.00 C ATOM 1750 C LYS A 120 -12.130 -11.472 -9.516 1.00 0.00 C ATOM 1751 O LYS A 120 -12.723 -12.490 -9.872 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.793 -11.848 -8.709 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.355 -11.359 -8.733 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.401 -12.407 -8.183 1.00 0.00 C ATOM 1755 CE LYS A 120 -6.880 -13.319 -9.283 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.011 -14.400 -8.742 1.00 0.00 N ATOM 0 H LYS A 120 -9.801 -9.440 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.428 -11.807 -10.764 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.242 -11.583 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.799 -12.936 -8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.072 -11.108 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.271 -10.445 -8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.563 -11.914 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -7.911 -13.003 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.721 -13.762 -9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.318 -12.730 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.676 -15.000 -9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.195 -13.978 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.554 -14.978 -8.070 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.719 -10.489 -8.842 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.128 -10.554 -8.473 1.00 0.00 C ATOM 1772 C GLN A 121 -15.020 -10.267 -9.676 1.00 0.00 C ATOM 1773 O GLN A 121 -16.123 -10.802 -9.784 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.430 -9.560 -7.350 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.573 -9.763 -6.111 1.00 0.00 C ATOM 1776 CD GLN A 121 -13.668 -11.172 -5.561 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -14.615 -11.511 -4.850 1.00 0.00 O ATOM 1778 NE2 GLN A 121 -12.685 -12.003 -5.888 1.00 0.00 N ATOM 0 H GLN A 121 -12.243 -9.639 -8.541 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.339 -11.564 -8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.280 -8.547 -7.723 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.481 -9.646 -7.073 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.534 -9.540 -6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.880 -9.055 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -11.920 -11.680 -6.480 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -12.695 -12.964 -5.547 1.00 0.00 H new