USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 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 28 CYS SG : rot 150:sc= -0.668 USER MOD Set 1.2: A 76 THR OG1 : rot 160:sc= 0.101 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -1.13 (180deg=-2.25) USER MOD Single : A 34 THR OG1 : rot 26:sc= 0.104 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 79:sc= -0.104 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 57 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.7!) USER MOD Single : A 58 CYS SG : rot -17:sc= -1.65 USER MOD Single : A 61 ASN : amide:sc= -0.628 K(o=-0.63,f=-3.2!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0787 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -133:sc= -0.0212 (180deg=-0.305) USER MOD Single : A 71 HIS :FLIP no HE2:sc= -1.8 F(o=-2.5,f=-1.8) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.491 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 92 MET CE :methyl 176:sc= 0 (180deg=-0.0123) USER MOD Single : A 96 SER OG : rot -170:sc= -0.0994 USER MOD Single : A 104 GLN : amide:sc= -0.447 K(o=-0.45,f=-5!) USER MOD Single : A 105 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.22) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 98:sc= 1.14 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.465 -0.990 -2.137 1.00 0.00 N ATOM 318 CA LYS A 21 3.441 -1.727 -0.873 1.00 0.00 C ATOM 319 C LYS A 21 2.007 -1.993 -0.419 1.00 0.00 C ATOM 320 O LYS A 21 1.651 -3.127 -0.100 1.00 0.00 O ATOM 321 CB LYS A 21 4.208 -0.964 0.216 1.00 0.00 C ATOM 322 CG LYS A 21 5.344 -1.766 0.836 1.00 0.00 C ATOM 323 CD LYS A 21 6.455 -0.861 1.348 1.00 0.00 C ATOM 324 CE LYS A 21 6.827 -1.187 2.787 1.00 0.00 C ATOM 325 NZ LYS A 21 8.281 -0.996 3.043 1.00 0.00 N ATOM 0 HA LYS A 21 3.932 -2.686 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.613 -0.047 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.511 -0.670 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.958 -2.369 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.749 -2.457 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.334 -0.968 0.712 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.137 0.179 1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.253 -0.553 3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.552 -2.218 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.492 -1.229 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.829 -1.620 2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.539 -0.006 2.857 1.00 0.00 H new ATOM 339 N ARG A 22 1.187 -0.945 -0.383 1.00 0.00 N ATOM 340 CA ARG A 22 -0.201 -1.077 0.037 1.00 0.00 C ATOM 341 C ARG A 22 -1.149 -0.740 -1.117 1.00 0.00 C ATOM 342 O ARG A 22 -0.865 0.140 -1.935 1.00 0.00 O ATOM 343 CB ARG A 22 -0.469 -0.171 1.246 1.00 0.00 C ATOM 344 CG ARG A 22 0.444 -0.464 2.432 1.00 0.00 C ATOM 345 CD ARG A 22 1.085 0.801 2.987 1.00 0.00 C ATOM 346 NE ARG A 22 0.601 1.118 4.331 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.426 1.927 4.583 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.084 2.512 3.590 1.00 0.00 N ATOM 349 NH2 ARG A 22 -0.799 2.153 5.837 1.00 0.00 N ATOM 0 H ARG A 22 1.462 0.003 -0.640 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.384 -2.111 0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.342 0.870 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.507 -0.289 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.130 -0.954 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.224 -1.161 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.168 0.678 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.874 1.637 2.320 1.00 0.00 H new ATOM 0 HE ARG A 22 1.080 0.693 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.804 2.343 2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.870 3.130 3.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.299 1.707 6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.586 2.773 6.031 1.00 0.00 H new ATOM 363 N LYS A 23 -2.268 -1.460 -1.188 1.00 0.00 N ATOM 364 CA LYS A 23 -3.247 -1.254 -2.248 1.00 0.00 C ATOM 365 C LYS A 23 -4.656 -1.099 -1.679 1.00 0.00 C ATOM 366 O LYS A 23 -5.159 -1.998 -1.005 1.00 0.00 O ATOM 367 CB LYS A 23 -3.214 -2.440 -3.214 1.00 0.00 C ATOM 368 CG LYS A 23 -2.183 -2.298 -4.322 1.00 0.00 C ATOM 369 CD LYS A 23 -1.323 -3.545 -4.459 1.00 0.00 C ATOM 370 CE LYS A 23 0.154 -3.226 -4.312 1.00 0.00 C ATOM 371 NZ LYS A 23 0.445 -2.532 -3.029 1.00 0.00 N ATOM 0 H LYS A 23 -2.517 -2.191 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.989 -0.336 -2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.006 -3.350 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.201 -2.560 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.690 -2.101 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.546 -1.438 -4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.615 -4.274 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.501 -4.005 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.732 -4.149 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.475 -2.600 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.444 -2.673 -2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.254 -1.515 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.160 -2.922 -2.278 1.00 0.00 H new ATOM 385 N ILE A 24 -5.291 0.042 -1.950 1.00 0.00 N ATOM 386 CA ILE A 24 -6.644 0.301 -1.455 1.00 0.00 C ATOM 387 C ILE A 24 -7.679 0.126 -2.565 1.00 0.00 C ATOM 388 O ILE A 24 -7.371 0.317 -3.740 1.00 0.00 O ATOM 389 CB ILE A 24 -6.791 1.734 -0.892 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.454 2.278 -0.380 1.00 0.00 C ATOM 391 CG2 ILE A 24 -7.838 1.770 0.210 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.876 3.356 -1.268 1.00 0.00 C ATOM 0 H ILE A 24 -4.893 0.798 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.817 -0.422 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.119 2.377 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.591 2.678 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.740 1.458 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.927 2.786 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.799 1.448 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.539 1.102 1.018 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.929 3.701 -0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.709 2.953 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.573 4.192 -1.326 1.00 0.00 H new ATOM 404 N ILE A 25 -8.914 -0.213 -2.190 1.00 0.00 N ATOM 405 CA ILE A 25 -9.990 -0.378 -3.170 1.00 0.00 C ATOM 406 C ILE A 25 -11.125 0.604 -2.894 1.00 0.00 C ATOM 407 O ILE A 25 -11.433 0.895 -1.739 1.00 0.00 O ATOM 408 CB ILE A 25 -10.567 -1.812 -3.182 1.00 0.00 C ATOM 409 CG1 ILE A 25 -11.474 -2.012 -4.398 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.350 -2.086 -1.907 1.00 0.00 C ATOM 411 CD1 ILE A 25 -10.758 -1.933 -5.719 1.00 0.00 C ATOM 0 H ILE A 25 -9.193 -0.378 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.547 -0.179 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.734 -2.512 -3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.961 -2.984 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.261 -1.259 -4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.748 -3.100 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.691 -1.978 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.173 -1.376 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.471 -2.085 -6.529 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.294 -0.952 -5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.989 -2.704 -5.763 1.00 0.00 H new ATOM 423 N VAL A 26 -11.763 1.094 -3.953 1.00 0.00 N ATOM 424 CA VAL A 26 -12.878 2.021 -3.806 1.00 0.00 C ATOM 425 C VAL A 26 -14.117 1.492 -4.520 1.00 0.00 C ATOM 426 O VAL A 26 -14.081 1.201 -5.715 1.00 0.00 O ATOM 427 CB VAL A 26 -12.537 3.422 -4.344 1.00 0.00 C ATOM 428 CG1 VAL A 26 -11.492 4.084 -3.462 1.00 0.00 C ATOM 429 CG2 VAL A 26 -12.058 3.350 -5.783 1.00 0.00 C ATOM 0 H VAL A 26 -11.527 0.865 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.080 2.105 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.443 4.027 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.260 5.074 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.878 4.177 -2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.587 3.477 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.824 4.353 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.165 2.727 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.841 2.918 -6.406 1.00 0.00 H new ATOM 439 N ALA A 27 -15.212 1.356 -3.777 1.00 0.00 N ATOM 440 CA ALA A 27 -16.450 0.846 -4.348 1.00 0.00 C ATOM 441 C ALA A 27 -17.619 1.787 -4.096 1.00 0.00 C ATOM 442 O ALA A 27 -17.926 2.127 -2.953 1.00 0.00 O ATOM 443 CB ALA A 27 -16.752 -0.536 -3.787 1.00 0.00 C ATOM 0 H ALA A 27 -15.265 1.590 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.315 0.775 -5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.680 -0.910 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.937 -1.215 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.856 -0.474 -2.704 1.00 0.00 H new ATOM 449 N CYS A 28 -18.263 2.204 -5.178 1.00 0.00 N ATOM 450 CA CYS A 28 -19.399 3.111 -5.090 1.00 0.00 C ATOM 451 C CYS A 28 -20.417 2.809 -6.181 1.00 0.00 C ATOM 452 O CYS A 28 -21.593 2.579 -5.904 1.00 0.00 O ATOM 453 CB CYS A 28 -18.926 4.561 -5.203 1.00 0.00 C ATOM 454 SG CYS A 28 -19.895 5.737 -4.229 1.00 0.00 S ATOM 0 H CYS A 28 -18.017 1.928 -6.129 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.878 2.967 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.884 4.617 -4.887 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.958 4.861 -6.250 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.135 6.725 -3.860 1.00 0.00 H new ATOM 510 N THR A 34 -18.709 11.333 -8.206 1.00 0.00 N ATOM 511 CA THR A 34 -18.628 10.311 -7.167 1.00 0.00 C ATOM 512 C THR A 34 -17.446 9.379 -7.413 1.00 0.00 C ATOM 513 O THR A 34 -16.595 9.196 -6.543 1.00 0.00 O ATOM 514 CB THR A 34 -19.925 9.501 -7.108 1.00 0.00 C ATOM 515 OG1 THR A 34 -21.042 10.353 -6.925 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.937 8.480 -5.993 1.00 0.00 C ATOM 0 HA THR A 34 -18.481 10.815 -6.212 1.00 0.00 H new ATOM 0 HB THR A 34 -19.984 8.977 -8.062 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.836 11.243 -7.280 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.883 7.939 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.116 7.777 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.821 8.986 -5.035 1.00 0.00 H new ATOM 524 N SER A 35 -17.401 8.792 -8.604 1.00 0.00 N ATOM 525 CA SER A 35 -16.325 7.877 -8.965 1.00 0.00 C ATOM 526 C SER A 35 -15.007 8.624 -9.134 1.00 0.00 C ATOM 527 O SER A 35 -13.987 8.243 -8.560 1.00 0.00 O ATOM 528 CB SER A 35 -16.669 7.137 -10.258 1.00 0.00 C ATOM 529 OG SER A 35 -17.858 6.381 -10.111 1.00 0.00 O ATOM 0 H SER A 35 -18.097 8.934 -9.336 1.00 0.00 H new ATOM 0 HA SER A 35 -16.213 7.154 -8.157 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.788 7.854 -11.070 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.846 6.477 -10.533 1.00 0.00 H new ATOM 0 HG SER A 35 -18.058 5.919 -10.952 1.00 0.00 H new ATOM 535 N THR A 36 -15.037 9.693 -9.921 1.00 0.00 N ATOM 536 CA THR A 36 -13.843 10.492 -10.162 1.00 0.00 C ATOM 537 C THR A 36 -13.412 11.212 -8.893 1.00 0.00 C ATOM 538 O THR A 36 -12.223 11.282 -8.584 1.00 0.00 O ATOM 539 CB THR A 36 -14.090 11.511 -11.276 1.00 0.00 C ATOM 540 OG1 THR A 36 -14.900 12.577 -10.813 1.00 0.00 O ATOM 541 CG2 THR A 36 -14.762 10.917 -12.494 1.00 0.00 C ATOM 0 H THR A 36 -15.873 10.025 -10.402 1.00 0.00 H new ATOM 0 HA THR A 36 -13.046 9.817 -10.472 1.00 0.00 H new ATOM 0 HB THR A 36 -13.101 11.866 -11.565 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.044 13.218 -11.540 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.907 11.694 -13.245 1.00 0.00 H new ATOM 0 HG22 THR A 36 -14.135 10.127 -12.906 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.729 10.502 -12.210 1.00 0.00 H new ATOM 549 N MET A 37 -14.381 11.747 -8.157 1.00 0.00 N ATOM 550 CA MET A 37 -14.090 12.462 -6.920 1.00 0.00 C ATOM 551 C MET A 37 -13.161 11.647 -6.026 1.00 0.00 C ATOM 552 O MET A 37 -12.100 12.121 -5.633 1.00 0.00 O ATOM 553 CB MET A 37 -15.385 12.784 -6.176 1.00 0.00 C ATOM 554 CG MET A 37 -15.331 14.086 -5.391 1.00 0.00 C ATOM 555 SD MET A 37 -15.583 13.849 -3.620 1.00 0.00 S ATOM 556 CE MET A 37 -15.686 15.548 -3.064 1.00 0.00 C ATOM 0 H MET A 37 -15.372 11.699 -8.395 1.00 0.00 H new ATOM 0 HA MET A 37 -13.588 13.395 -7.177 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.203 12.837 -6.894 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.614 11.967 -5.492 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.365 14.563 -5.555 1.00 0.00 H new ATOM 0 HG3 MET A 37 -16.092 14.767 -5.773 1.00 0.00 H new ATOM 0 HE1 MET A 37 -15.842 15.569 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 37 -14.759 16.067 -3.307 1.00 0.00 H new ATOM 0 HE3 MET A 37 -16.520 16.043 -3.561 1.00 0.00 H new ATOM 566 N ALA A 38 -13.560 10.416 -5.722 1.00 0.00 N ATOM 567 CA ALA A 38 -12.756 9.538 -4.881 1.00 0.00 C ATOM 568 C ALA A 38 -11.408 9.249 -5.530 1.00 0.00 C ATOM 569 O ALA A 38 -10.356 9.517 -4.951 1.00 0.00 O ATOM 570 CB ALA A 38 -13.505 8.241 -4.612 1.00 0.00 C ATOM 0 H ALA A 38 -14.435 10.004 -6.046 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.573 10.043 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.895 7.592 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.444 8.462 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.713 7.739 -5.557 1.00 0.00 H new ATOM 576 N ALA A 39 -11.450 8.700 -6.740 1.00 0.00 N ATOM 577 CA ALA A 39 -10.236 8.371 -7.478 1.00 0.00 C ATOM 578 C ALA A 39 -9.260 9.541 -7.483 1.00 0.00 C ATOM 579 O ALA A 39 -8.104 9.402 -7.078 1.00 0.00 O ATOM 580 CB ALA A 39 -10.582 7.962 -8.902 1.00 0.00 C ATOM 0 H ALA A 39 -12.315 8.473 -7.231 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.751 7.533 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.668 7.719 -9.443 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.235 7.089 -8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.092 8.785 -9.403 1.00 0.00 H new ATOM 586 N GLU A 40 -9.730 10.695 -7.939 1.00 0.00 N ATOM 587 CA GLU A 40 -8.898 11.889 -7.992 1.00 0.00 C ATOM 588 C GLU A 40 -8.458 12.313 -6.594 1.00 0.00 C ATOM 589 O GLU A 40 -7.279 12.577 -6.365 1.00 0.00 O ATOM 590 CB GLU A 40 -9.644 13.040 -8.674 1.00 0.00 C ATOM 591 CG GLU A 40 -9.086 13.406 -10.038 1.00 0.00 C ATOM 592 CD GLU A 40 -9.294 12.312 -11.067 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.082 11.130 -10.726 1.00 0.00 O ATOM 594 OE2 GLU A 40 -9.669 12.638 -12.213 1.00 0.00 O ATOM 0 H GLU A 40 -10.683 10.829 -8.277 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.010 11.648 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.694 12.767 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.607 13.918 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.562 14.323 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.020 13.615 -9.946 1.00 0.00 H new ATOM 601 N GLU A 41 -9.410 12.384 -5.664 1.00 0.00 N ATOM 602 CA GLU A 41 -9.103 12.788 -4.295 1.00 0.00 C ATOM 603 C GLU A 41 -8.058 11.871 -3.668 1.00 0.00 C ATOM 604 O GLU A 41 -7.026 12.333 -3.189 1.00 0.00 O ATOM 605 CB GLU A 41 -10.366 12.797 -3.427 1.00 0.00 C ATOM 606 CG GLU A 41 -10.645 14.144 -2.783 1.00 0.00 C ATOM 607 CD GLU A 41 -10.984 14.025 -1.312 1.00 0.00 C ATOM 608 OE1 GLU A 41 -10.182 13.429 -0.562 1.00 0.00 O ATOM 609 OE2 GLU A 41 -12.056 14.525 -0.909 1.00 0.00 O ATOM 0 H GLU A 41 -10.393 12.169 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.698 13.799 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.221 12.511 -4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.267 12.043 -2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.773 14.787 -2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.470 14.628 -3.305 1.00 0.00 H new ATOM 616 N ILE A 42 -8.322 10.571 -3.674 1.00 0.00 N ATOM 617 CA ILE A 42 -7.389 9.609 -3.099 1.00 0.00 C ATOM 618 C ILE A 42 -6.065 9.618 -3.851 1.00 0.00 C ATOM 619 O ILE A 42 -5.009 9.364 -3.272 1.00 0.00 O ATOM 620 CB ILE A 42 -7.969 8.183 -3.099 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.387 8.177 -2.525 1.00 0.00 C ATOM 622 CG2 ILE A 42 -7.076 7.248 -2.301 1.00 0.00 C ATOM 623 CD1 ILE A 42 -10.282 7.137 -3.154 1.00 0.00 C ATOM 0 H ILE A 42 -9.168 10.160 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.218 9.912 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 42 -8.012 7.832 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.336 8.000 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.832 9.162 -2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.500 6.244 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.081 7.226 -2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.005 7.602 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.272 7.187 -2.701 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.363 7.326 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.858 6.146 -2.991 1.00 0.00 H new ATOM 635 N LYS A 43 -6.126 9.916 -5.145 1.00 0.00 N ATOM 636 CA LYS A 43 -4.926 9.964 -5.972 1.00 0.00 C ATOM 637 C LYS A 43 -4.113 11.219 -5.670 1.00 0.00 C ATOM 638 O LYS A 43 -2.923 11.140 -5.367 1.00 0.00 O ATOM 639 CB LYS A 43 -5.295 9.926 -7.457 1.00 0.00 C ATOM 640 CG LYS A 43 -5.549 8.524 -7.988 1.00 0.00 C ATOM 641 CD LYS A 43 -4.247 7.778 -8.243 1.00 0.00 C ATOM 642 CE LYS A 43 -4.226 7.145 -9.626 1.00 0.00 C ATOM 643 NZ LYS A 43 -5.214 6.037 -9.747 1.00 0.00 N ATOM 0 H LYS A 43 -6.991 10.127 -5.642 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.319 9.090 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.187 10.532 -7.616 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.491 10.383 -8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.154 7.967 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.123 8.583 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.407 8.466 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.116 7.005 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.441 7.906 -10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.226 6.764 -9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.167 5.633 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.995 5.298 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.171 6.405 -9.573 1.00 0.00 H new ATOM 657 N GLU A 44 -4.764 12.377 -5.756 1.00 0.00 N ATOM 658 CA GLU A 44 -4.101 13.651 -5.492 1.00 0.00 C ATOM 659 C GLU A 44 -3.440 13.655 -4.118 1.00 0.00 C ATOM 660 O GLU A 44 -2.332 14.165 -3.957 1.00 0.00 O ATOM 661 CB GLU A 44 -5.098 14.807 -5.595 1.00 0.00 C ATOM 662 CG GLU A 44 -6.208 14.753 -4.558 1.00 0.00 C ATOM 663 CD GLU A 44 -7.124 15.958 -4.621 1.00 0.00 C ATOM 664 OE1 GLU A 44 -7.415 16.426 -5.742 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.553 16.436 -3.548 1.00 0.00 O ATOM 0 H GLU A 44 -5.749 12.459 -6.006 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.325 13.783 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.560 15.749 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.543 14.804 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.795 13.847 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.768 14.688 -3.563 1.00 0.00 H new ATOM 672 N LEU A 45 -4.121 13.085 -3.130 1.00 0.00 N ATOM 673 CA LEU A 45 -3.586 13.030 -1.774 1.00 0.00 C ATOM 674 C LEU A 45 -2.324 12.172 -1.730 1.00 0.00 C ATOM 675 O LEU A 45 -1.277 12.616 -1.261 1.00 0.00 O ATOM 676 CB LEU A 45 -4.635 12.477 -0.806 1.00 0.00 C ATOM 677 CG LEU A 45 -5.932 13.282 -0.730 1.00 0.00 C ATOM 678 CD1 LEU A 45 -6.992 12.520 0.053 1.00 0.00 C ATOM 679 CD2 LEU A 45 -5.681 14.644 -0.104 1.00 0.00 C ATOM 0 H LEU A 45 -5.040 12.656 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.328 14.044 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.876 11.455 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.197 12.427 0.191 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.300 13.434 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.907 13.110 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.196 11.570 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.633 12.334 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.616 15.202 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.287 14.514 0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.959 15.194 -0.708 1.00 0.00 H new ATOM 691 N CYS A 46 -2.436 10.940 -2.215 1.00 0.00 N ATOM 692 CA CYS A 46 -1.305 10.017 -2.232 1.00 0.00 C ATOM 693 C CYS A 46 -0.107 10.630 -2.953 1.00 0.00 C ATOM 694 O CYS A 46 1.025 10.536 -2.482 1.00 0.00 O ATOM 695 CB CYS A 46 -1.702 8.702 -2.906 1.00 0.00 C ATOM 696 SG CYS A 46 -2.935 7.746 -1.994 1.00 0.00 S ATOM 0 H CYS A 46 -3.298 10.557 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.019 9.817 -1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.090 8.919 -3.901 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.809 8.090 -3.038 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.114 8.258 -2.192 1.00 0.00 H new ATOM 702 N GLN A 47 -0.361 11.256 -4.098 1.00 0.00 N ATOM 703 CA GLN A 47 0.701 11.880 -4.881 1.00 0.00 C ATOM 704 C GLN A 47 1.171 13.178 -4.229 1.00 0.00 C ATOM 705 O GLN A 47 2.371 13.441 -4.145 1.00 0.00 O ATOM 706 CB GLN A 47 0.220 12.158 -6.306 1.00 0.00 C ATOM 707 CG GLN A 47 1.353 12.376 -7.297 1.00 0.00 C ATOM 708 CD GLN A 47 1.209 13.670 -8.073 1.00 0.00 C ATOM 709 OE1 GLN A 47 1.154 14.754 -7.492 1.00 0.00 O ATOM 710 NE2 GLN A 47 1.148 13.563 -9.396 1.00 0.00 N ATOM 0 H GLN A 47 -1.292 11.345 -4.504 1.00 0.00 H new ATOM 0 HA GLN A 47 1.542 11.188 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.392 11.322 -6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.421 13.040 -6.299 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.303 12.382 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.386 11.540 -7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.197 12.644 -9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.052 14.400 -9.971 1.00 0.00 H new ATOM 719 N SER A 48 0.219 13.987 -3.774 1.00 0.00 N ATOM 720 CA SER A 48 0.536 15.260 -3.131 1.00 0.00 C ATOM 721 C SER A 48 1.542 15.068 -2.001 1.00 0.00 C ATOM 722 O SER A 48 2.482 15.849 -1.854 1.00 0.00 O ATOM 723 CB SER A 48 -0.740 15.914 -2.589 1.00 0.00 C ATOM 724 OG SER A 48 -0.445 17.033 -1.765 1.00 0.00 O ATOM 0 H SER A 48 -0.779 13.785 -3.838 1.00 0.00 H new ATOM 0 HA SER A 48 0.982 15.913 -3.881 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.369 16.230 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.311 15.182 -2.018 1.00 0.00 H new ATOM 0 HG SER A 48 -1.280 17.427 -1.437 1.00 0.00 H new ATOM 730 N HIS A 49 1.335 14.027 -1.202 1.00 0.00 N ATOM 731 CA HIS A 49 2.221 13.735 -0.082 1.00 0.00 C ATOM 732 C HIS A 49 3.365 12.810 -0.503 1.00 0.00 C ATOM 733 O HIS A 49 4.214 12.453 0.313 1.00 0.00 O ATOM 734 CB HIS A 49 1.428 13.097 1.059 1.00 0.00 C ATOM 735 CG HIS A 49 1.103 14.048 2.167 1.00 0.00 C ATOM 736 ND1 HIS A 49 1.701 13.992 3.407 1.00 0.00 N ATOM 737 CD2 HIS A 49 0.233 15.086 2.220 1.00 0.00 C ATOM 738 CE1 HIS A 49 1.215 14.950 4.175 1.00 0.00 C ATOM 739 NE2 HIS A 49 0.322 15.629 3.478 1.00 0.00 N ATOM 0 H HIS A 49 0.561 13.371 -1.309 1.00 0.00 H new ATOM 0 HA HIS A 49 2.655 14.675 0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.500 12.686 0.660 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.999 12.261 1.464 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.411 15.423 1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.499 15.145 5.199 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.214 16.427 3.819 1.00 0.00 H new ATOM 748 N ASN A 50 3.383 12.424 -1.777 1.00 0.00 N ATOM 749 CA ASN A 50 4.422 11.541 -2.297 1.00 0.00 C ATOM 750 C ASN A 50 4.393 10.186 -1.593 1.00 0.00 C ATOM 751 O ASN A 50 5.413 9.710 -1.094 1.00 0.00 O ATOM 752 CB ASN A 50 5.800 12.186 -2.134 1.00 0.00 C ATOM 753 CG ASN A 50 5.862 13.584 -2.717 1.00 0.00 C ATOM 754 OD1 ASN A 50 5.137 13.911 -3.657 1.00 0.00 O ATOM 755 ND2 ASN A 50 6.733 14.419 -2.161 1.00 0.00 N ATOM 0 H ASN A 50 2.689 12.710 -2.468 1.00 0.00 H new ATOM 0 HA ASN A 50 4.227 11.381 -3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.055 12.226 -1.075 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.549 11.561 -2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.820 15.373 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.314 14.106 -1.384 1.00 0.00 H new ATOM 762 N ILE A 51 3.216 9.571 -1.559 1.00 0.00 N ATOM 763 CA ILE A 51 3.044 8.269 -0.920 1.00 0.00 C ATOM 764 C ILE A 51 2.740 7.190 -1.953 1.00 0.00 C ATOM 765 O ILE A 51 1.578 6.932 -2.266 1.00 0.00 O ATOM 766 CB ILE A 51 1.898 8.289 0.112 1.00 0.00 C ATOM 767 CG1 ILE A 51 1.921 9.585 0.927 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.989 7.076 1.029 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.619 9.862 1.647 1.00 0.00 C ATOM 0 H ILE A 51 2.363 9.954 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 51 3.982 8.045 -0.412 1.00 0.00 H new ATOM 0 HB ILE A 51 0.951 8.246 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.728 9.532 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.146 10.420 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.174 7.104 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.916 6.165 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.942 7.090 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.703 10.794 2.205 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.188 9.946 0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.403 9.045 2.336 1.00 0.00 H new ATOM 781 N PRO A 52 3.780 6.539 -2.504 1.00 0.00 N ATOM 782 CA PRO A 52 3.602 5.487 -3.506 1.00 0.00 C ATOM 783 C PRO A 52 2.624 4.411 -3.054 1.00 0.00 C ATOM 784 O PRO A 52 2.863 3.704 -2.075 1.00 0.00 O ATOM 785 CB PRO A 52 5.004 4.899 -3.668 1.00 0.00 C ATOM 786 CG PRO A 52 5.923 5.999 -3.269 1.00 0.00 C ATOM 787 CD PRO A 52 5.203 6.775 -2.198 1.00 0.00 C ATOM 0 HA PRO A 52 3.183 5.881 -4.432 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.140 4.021 -3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.185 4.585 -4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.867 5.602 -2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.160 6.637 -4.120 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.464 6.421 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.451 7.836 -2.234 1.00 0.00 H new ATOM 795 N VAL A 53 1.522 4.296 -3.783 1.00 0.00 N ATOM 796 CA VAL A 53 0.493 3.311 -3.483 1.00 0.00 C ATOM 797 C VAL A 53 -0.352 3.043 -4.718 1.00 0.00 C ATOM 798 O VAL A 53 -0.299 3.797 -5.690 1.00 0.00 O ATOM 799 CB VAL A 53 -0.431 3.769 -2.338 1.00 0.00 C ATOM 800 CG1 VAL A 53 0.253 3.591 -0.991 1.00 0.00 C ATOM 801 CG2 VAL A 53 -0.866 5.213 -2.540 1.00 0.00 C ATOM 0 H VAL A 53 1.317 4.879 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 53 1.005 2.401 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.324 3.144 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.417 3.920 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.500 2.540 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.166 4.185 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.518 5.515 -1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.012 5.858 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.405 5.302 -3.483 1.00 0.00 H new ATOM 811 N GLU A 54 -1.131 1.972 -4.682 1.00 0.00 N ATOM 812 CA GLU A 54 -1.983 1.626 -5.812 1.00 0.00 C ATOM 813 C GLU A 54 -3.438 1.498 -5.367 1.00 0.00 C ATOM 814 O GLU A 54 -3.779 0.628 -4.566 1.00 0.00 O ATOM 815 CB GLU A 54 -1.510 0.322 -6.463 1.00 0.00 C ATOM 816 CG GLU A 54 0.004 0.181 -6.551 1.00 0.00 C ATOM 817 CD GLU A 54 0.502 0.099 -7.984 1.00 0.00 C ATOM 818 OE1 GLU A 54 0.457 1.129 -8.690 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.937 -0.996 -8.399 1.00 0.00 O ATOM 0 H GLU A 54 -1.192 1.332 -3.890 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.915 2.426 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.910 -0.519 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.929 0.258 -7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.474 1.031 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.314 -0.714 -6.011 1.00 0.00 H new ATOM 826 N LEU A 55 -4.293 2.373 -5.887 1.00 0.00 N ATOM 827 CA LEU A 55 -5.706 2.351 -5.533 1.00 0.00 C ATOM 828 C LEU A 55 -6.547 1.752 -6.654 1.00 0.00 C ATOM 829 O LEU A 55 -6.482 2.191 -7.802 1.00 0.00 O ATOM 830 CB LEU A 55 -6.211 3.759 -5.205 1.00 0.00 C ATOM 831 CG LEU A 55 -7.707 3.840 -4.870 1.00 0.00 C ATOM 832 CD1 LEU A 55 -7.917 4.372 -3.460 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.444 4.705 -5.886 1.00 0.00 C ATOM 0 H LEU A 55 -4.033 3.102 -6.551 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.808 1.724 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.642 4.147 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.007 4.411 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.119 2.832 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.984 4.421 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.432 3.708 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.485 5.369 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.502 4.748 -5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.027 5.712 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.330 4.275 -6.881 1.00 0.00 H new ATOM 845 N ILE A 56 -7.338 0.749 -6.300 1.00 0.00 N ATOM 846 CA ILE A 56 -8.209 0.068 -7.254 1.00 0.00 C ATOM 847 C ILE A 56 -9.651 0.533 -7.081 1.00 0.00 C ATOM 848 O ILE A 56 -10.060 0.910 -5.984 1.00 0.00 O ATOM 849 CB ILE A 56 -8.152 -1.476 -7.113 1.00 0.00 C ATOM 850 CG1 ILE A 56 -7.774 -1.891 -5.684 1.00 0.00 C ATOM 851 CG2 ILE A 56 -7.177 -2.070 -8.117 1.00 0.00 C ATOM 852 CD1 ILE A 56 -7.886 -3.382 -5.432 1.00 0.00 C ATOM 0 H ILE A 56 -7.396 0.384 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.847 0.328 -8.249 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.148 -1.867 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.751 -1.573 -5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.417 -1.363 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.151 -3.154 -8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.498 -1.820 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.181 -1.663 -7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.603 -3.599 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.914 -3.703 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.222 -3.917 -6.111 1.00 0.00 H new ATOM 864 N GLN A 57 -10.422 0.500 -8.162 1.00 0.00 N ATOM 865 CA GLN A 57 -11.821 0.912 -8.108 1.00 0.00 C ATOM 866 C GLN A 57 -12.718 -0.183 -8.681 1.00 0.00 C ATOM 867 O GLN A 57 -12.522 -0.626 -9.812 1.00 0.00 O ATOM 868 CB GLN A 57 -12.027 2.214 -8.882 1.00 0.00 C ATOM 869 CG GLN A 57 -13.487 2.625 -8.987 1.00 0.00 C ATOM 870 CD GLN A 57 -13.696 4.110 -8.774 1.00 0.00 C ATOM 871 OE1 GLN A 57 -12.812 4.812 -8.284 1.00 0.00 O ATOM 872 NE2 GLN A 57 -14.874 4.595 -9.142 1.00 0.00 N ATOM 0 H GLN A 57 -10.105 0.194 -9.082 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.089 1.080 -7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.466 3.011 -8.394 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.615 2.102 -9.885 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.868 2.346 -9.969 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.069 2.072 -8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -15.577 3.976 -9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -15.077 5.588 -9.023 1.00 0.00 H new ATOM 881 N CYS A 58 -13.696 -0.621 -7.889 1.00 0.00 N ATOM 882 CA CYS A 58 -14.618 -1.675 -8.307 1.00 0.00 C ATOM 883 C CYS A 58 -15.967 -1.538 -7.596 1.00 0.00 C ATOM 884 O CYS A 58 -16.098 -0.759 -6.657 1.00 0.00 O ATOM 885 CB CYS A 58 -14.017 -3.050 -8.035 1.00 0.00 C ATOM 886 SG CYS A 58 -12.326 -3.267 -8.639 1.00 0.00 S ATOM 0 H CYS A 58 -13.870 -0.260 -6.951 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.784 -1.570 -9.379 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.031 -3.232 -6.960 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.653 -3.807 -8.494 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.050 -2.334 -9.501 1.00 0.00 H new ATOM 892 N ARG A 59 -16.970 -2.289 -8.052 1.00 0.00 N ATOM 893 CA ARG A 59 -18.307 -2.238 -7.465 1.00 0.00 C ATOM 894 C ARG A 59 -18.354 -2.908 -6.092 1.00 0.00 C ATOM 895 O ARG A 59 -17.323 -3.137 -5.457 1.00 0.00 O ATOM 896 CB ARG A 59 -19.312 -2.921 -8.395 1.00 0.00 C ATOM 897 CG ARG A 59 -19.473 -2.233 -9.737 1.00 0.00 C ATOM 898 CD ARG A 59 -18.596 -2.879 -10.799 1.00 0.00 C ATOM 899 NE ARG A 59 -19.362 -3.734 -11.706 1.00 0.00 N ATOM 900 CZ ARG A 59 -19.631 -5.017 -11.466 1.00 0.00 C ATOM 901 NH1 ARG A 59 -19.267 -5.576 -10.322 1.00 0.00 N ATOM 902 NH2 ARG A 59 -20.280 -5.741 -12.364 1.00 0.00 N ATOM 0 H ARG A 59 -16.880 -2.943 -8.830 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.567 -1.187 -7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.997 -3.951 -8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.282 -2.961 -7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.517 -2.278 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.214 -1.179 -9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.093 -2.102 -11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.819 -3.471 -10.315 1.00 0.00 H new ATOM 0 HE ARG A 59 -19.710 -3.324 -12.573 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.777 -5.024 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.476 -6.559 -10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -20.576 -5.317 -13.243 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.484 -6.723 -12.177 1.00 0.00 H new ATOM 916 N VAL A 60 -19.569 -3.220 -5.646 1.00 0.00 N ATOM 917 CA VAL A 60 -19.782 -3.858 -4.357 1.00 0.00 C ATOM 918 C VAL A 60 -19.412 -5.341 -4.382 1.00 0.00 C ATOM 919 O VAL A 60 -19.264 -5.964 -3.332 1.00 0.00 O ATOM 920 CB VAL A 60 -21.251 -3.714 -3.906 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.455 -4.285 -2.510 1.00 0.00 C ATOM 922 CG2 VAL A 60 -21.684 -2.257 -3.959 1.00 0.00 C ATOM 0 H VAL A 60 -20.426 -3.037 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.128 -3.350 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.873 -4.285 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.499 -4.170 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.192 -5.343 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -20.820 -3.752 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.722 -2.174 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -21.051 -1.665 -3.298 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -21.589 -1.886 -4.980 1.00 0.00 H new ATOM 932 N ASN A 61 -19.265 -5.908 -5.576 1.00 0.00 N ATOM 933 CA ASN A 61 -18.920 -7.321 -5.698 1.00 0.00 C ATOM 934 C ASN A 61 -17.805 -7.538 -6.716 1.00 0.00 C ATOM 935 O ASN A 61 -18.001 -8.192 -7.740 1.00 0.00 O ATOM 936 CB ASN A 61 -20.152 -8.138 -6.091 1.00 0.00 C ATOM 937 CG ASN A 61 -20.880 -7.551 -7.283 1.00 0.00 C ATOM 938 OD1 ASN A 61 -21.251 -6.377 -7.284 1.00 0.00 O ATOM 939 ND2 ASN A 61 -21.090 -8.369 -8.307 1.00 0.00 N ATOM 0 H ASN A 61 -19.378 -5.418 -6.463 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.561 -7.658 -4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -19.849 -9.159 -6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.834 -8.192 -5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.576 -8.032 -9.138 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -20.765 -9.335 -8.263 1.00 0.00 H new ATOM 946 N GLU A 62 -16.635 -6.983 -6.428 1.00 0.00 N ATOM 947 CA GLU A 62 -15.488 -7.114 -7.320 1.00 0.00 C ATOM 948 C GLU A 62 -14.187 -7.262 -6.543 1.00 0.00 C ATOM 949 O GLU A 62 -13.280 -7.981 -6.962 1.00 0.00 O ATOM 950 CB GLU A 62 -15.390 -5.892 -8.217 1.00 0.00 C ATOM 951 CG GLU A 62 -16.509 -5.777 -9.231 1.00 0.00 C ATOM 952 CD GLU A 62 -16.029 -5.255 -10.570 1.00 0.00 C ATOM 953 OE1 GLU A 62 -14.910 -4.703 -10.627 1.00 0.00 O ATOM 954 OE2 GLU A 62 -16.773 -5.398 -11.562 1.00 0.00 O ATOM 0 H GLU A 62 -16.454 -6.438 -5.585 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.638 -8.012 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.385 -4.997 -7.594 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.437 -5.918 -8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.970 -6.755 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.281 -5.113 -8.842 1.00 0.00 H new ATOM 961 N ILE A 63 -14.100 -6.567 -5.416 1.00 0.00 N ATOM 962 CA ILE A 63 -12.906 -6.610 -4.581 1.00 0.00 C ATOM 963 C ILE A 63 -12.604 -8.037 -4.142 1.00 0.00 C ATOM 964 O ILE A 63 -11.469 -8.505 -4.229 1.00 0.00 O ATOM 965 CB ILE A 63 -13.046 -5.731 -3.319 1.00 0.00 C ATOM 966 CG1 ILE A 63 -13.775 -4.414 -3.619 1.00 0.00 C ATOM 967 CG2 ILE A 63 -11.674 -5.450 -2.733 1.00 0.00 C ATOM 968 CD1 ILE A 63 -14.909 -4.114 -2.663 1.00 0.00 C ATOM 0 H ILE A 63 -14.843 -5.966 -5.059 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.090 -6.222 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.647 -6.279 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.056 -3.595 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.168 -4.450 -4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.779 -4.830 -1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.193 -6.391 -2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.064 -4.928 -3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.376 -3.168 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -15.649 -4.913 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -14.520 -4.045 -1.647 1.00 0.00 H new ATOM 980 N GLU A 64 -13.637 -8.721 -3.664 1.00 0.00 N ATOM 981 CA GLU A 64 -13.509 -10.098 -3.201 1.00 0.00 C ATOM 982 C GLU A 64 -12.781 -10.962 -4.228 1.00 0.00 C ATOM 983 O GLU A 64 -11.903 -11.754 -3.884 1.00 0.00 O ATOM 984 CB GLU A 64 -14.896 -10.680 -2.917 1.00 0.00 C ATOM 985 CG GLU A 64 -15.245 -10.711 -1.437 1.00 0.00 C ATOM 986 CD GLU A 64 -16.483 -9.901 -1.098 1.00 0.00 C ATOM 987 OE1 GLU A 64 -17.213 -9.506 -2.033 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.723 -9.662 0.104 1.00 0.00 O ATOM 0 H GLU A 64 -14.580 -8.341 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.920 -10.096 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.645 -10.091 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.946 -11.693 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.399 -11.745 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.401 -10.329 -0.863 1.00 0.00 H new ATOM 995 N THR A 65 -13.161 -10.806 -5.491 1.00 0.00 N ATOM 996 CA THR A 65 -12.562 -11.572 -6.580 1.00 0.00 C ATOM 997 C THR A 65 -11.219 -10.979 -7.002 1.00 0.00 C ATOM 998 O THR A 65 -10.281 -11.710 -7.323 1.00 0.00 O ATOM 999 CB THR A 65 -13.514 -11.609 -7.775 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.614 -10.740 -7.566 1.00 0.00 O ATOM 1001 CG2 THR A 65 -14.066 -12.990 -8.060 1.00 0.00 C ATOM 0 H THR A 65 -13.885 -10.152 -5.788 1.00 0.00 H new ATOM 0 HA THR A 65 -12.386 -12.587 -6.223 1.00 0.00 H new ATOM 0 HB THR A 65 -12.917 -11.292 -8.630 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.211 -10.776 -8.342 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.734 -12.944 -8.920 1.00 0.00 H new ATOM 0 HG22 THR A 65 -13.244 -13.673 -8.275 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.618 -13.348 -7.191 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.136 -9.653 -7.006 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.915 -8.957 -7.392 1.00 0.00 C ATOM 1011 C TYR A 66 -8.975 -8.798 -6.197 1.00 0.00 C ATOM 1012 O TYR A 66 -8.011 -8.033 -6.251 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.251 -7.579 -7.975 1.00 0.00 C ATOM 1014 CG TYR A 66 -11.065 -7.613 -9.256 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -12.019 -8.601 -9.487 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -10.881 -6.645 -10.236 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -12.760 -8.621 -10.651 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -11.622 -6.659 -11.403 1.00 0.00 C ATOM 1019 CZ TYR A 66 -12.559 -7.648 -11.606 1.00 0.00 C ATOM 1020 OH TYR A 66 -13.298 -7.664 -12.766 1.00 0.00 O ATOM 0 H TYR A 66 -11.905 -9.036 -6.745 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.411 -9.555 -8.151 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.800 -7.007 -7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.321 -7.044 -8.166 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -12.182 -9.365 -8.742 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -10.146 -5.868 -10.083 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -13.494 -9.396 -10.813 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.467 -5.897 -12.153 1.00 0.00 H new ATOM 0 HH TYR A 66 -13.034 -6.909 -13.332 1.00 0.00 H new ATOM 1030 N MET A 67 -9.266 -9.516 -5.114 1.00 0.00 N ATOM 1031 CA MET A 67 -8.457 -9.451 -3.899 1.00 0.00 C ATOM 1032 C MET A 67 -7.092 -10.121 -4.087 1.00 0.00 C ATOM 1033 O MET A 67 -6.660 -10.909 -3.246 1.00 0.00 O ATOM 1034 CB MET A 67 -9.214 -10.120 -2.747 1.00 0.00 C ATOM 1035 CG MET A 67 -9.159 -9.342 -1.444 1.00 0.00 C ATOM 1036 SD MET A 67 -7.635 -9.637 -0.527 1.00 0.00 S ATOM 1037 CE MET A 67 -7.976 -11.244 0.191 1.00 0.00 C ATOM 0 H MET A 67 -10.061 -10.153 -5.054 1.00 0.00 H new ATOM 0 HA MET A 67 -8.278 -8.401 -3.668 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.256 -10.251 -3.037 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.801 -11.115 -2.583 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.251 -8.277 -1.656 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.012 -9.618 -0.824 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.715 -11.232 1.249 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.036 -11.474 0.081 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.385 -12.004 -0.320 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.417 -9.807 -5.192 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.107 -10.386 -5.476 1.00 0.00 C ATOM 1049 C ASP A 68 -4.073 -9.938 -4.449 1.00 0.00 C ATOM 1050 O ASP A 68 -3.267 -10.737 -3.975 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.643 -9.988 -6.879 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.546 -8.485 -7.050 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -5.413 -7.768 -6.508 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -3.601 -8.023 -7.725 1.00 0.00 O ATOM 0 H ASP A 68 -6.755 -9.157 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.203 -11.470 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.670 -10.437 -7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.337 -10.391 -7.616 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.103 -8.654 -4.111 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.163 -8.122 -3.143 1.00 0.00 C ATOM 1061 C GLY A 69 -3.545 -6.732 -2.675 1.00 0.00 C ATOM 1062 O GLY A 69 -2.903 -5.750 -3.037 1.00 0.00 O ATOM 0 H GLY A 69 -4.761 -7.973 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.112 -8.791 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.167 -8.093 -3.585 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.598 -6.651 -1.869 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.068 -5.374 -1.351 1.00 0.00 C ATOM 1068 C VAL A 70 -4.684 -5.204 0.112 1.00 0.00 C ATOM 1069 O VAL A 70 -4.914 -6.091 0.935 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.595 -5.234 -1.488 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -6.976 -4.932 -2.929 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.298 -6.491 -0.997 1.00 0.00 C ATOM 0 H VAL A 70 -5.142 -7.457 -1.561 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.588 -4.597 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.919 -4.400 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.059 -4.836 -3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.506 -4.000 -3.242 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.636 -5.743 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.376 -6.370 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.969 -7.346 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.053 -6.659 0.052 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.092 -4.059 0.429 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.669 -3.767 1.793 1.00 0.00 C ATOM 1084 C HIS A 71 -4.757 -3.011 2.559 1.00 0.00 C ATOM 1085 O HIS A 71 -4.714 -2.924 3.786 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.377 -2.949 1.774 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.627 -2.968 3.068 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -1.902 -2.393 4.263 1.00 0.00 N flip ATOM 1089 CD2 HIS A 71 -0.426 -3.625 3.232 1.00 0.00 C flip ATOM 1090 CE1 HIS A 71 -0.873 -2.712 5.115 1.00 0.00 C flip ATOM 1091 NE2 HIS A 71 0.006 -3.456 4.467 1.00 0.00 N flip ATOM 0 H HIS A 71 -3.894 -3.316 -0.241 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.491 -4.713 2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.729 -3.330 0.985 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.616 -1.917 1.519 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -2.721 -1.828 4.488 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.083 -4.191 2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.795 -2.405 6.147 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.729 -2.465 1.828 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.821 -1.716 2.443 1.00 0.00 C ATOM 1102 C LEU A 72 -8.036 -1.668 1.520 1.00 0.00 C ATOM 1103 O LEU A 72 -7.907 -1.687 0.296 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.370 -0.290 2.771 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.888 -0.064 4.204 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.924 1.114 4.258 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -7.076 0.167 5.131 1.00 0.00 C ATOM 0 H LEU A 72 -5.781 -2.528 0.811 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.101 -2.227 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.565 -0.016 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.200 0.389 2.574 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.359 -0.955 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.589 1.263 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.063 0.909 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.429 2.014 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.718 0.327 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.631 1.045 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.730 -0.705 5.109 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.222 -1.599 2.109 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.444 -1.543 1.323 1.00 0.00 C ATOM 1121 C ILE A 73 -11.330 -0.380 1.750 1.00 0.00 C ATOM 1122 O ILE A 73 -11.535 -0.137 2.937 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.234 -2.863 1.422 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -10.482 -3.963 0.688 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -12.638 -2.707 0.846 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -9.323 -4.534 1.476 1.00 0.00 C ATOM 0 H ILE A 73 -9.362 -1.581 3.119 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.147 -1.389 0.286 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.332 -3.131 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -11.177 -4.767 0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.109 -3.568 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.173 -3.653 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.175 -1.937 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.571 -2.419 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.834 -5.313 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.607 -3.742 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.692 -4.959 2.409 1.00 0.00 H new ATOM 1138 N CYS A 74 -11.863 0.337 0.768 1.00 0.00 N ATOM 1139 CA CYS A 74 -12.738 1.460 1.047 1.00 0.00 C ATOM 1140 C CYS A 74 -14.047 1.323 0.281 1.00 0.00 C ATOM 1141 O CYS A 74 -14.103 1.576 -0.920 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.050 2.772 0.668 1.00 0.00 C ATOM 1143 SG CYS A 74 -10.548 3.116 1.613 1.00 0.00 S ATOM 0 H CYS A 74 -11.703 0.159 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.957 1.467 2.115 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.801 2.746 -0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.753 3.593 0.811 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.037 4.245 1.220 1.00 0.00 H new ATOM 1149 N THR A 75 -15.099 0.927 0.983 1.00 0.00 N ATOM 1150 CA THR A 75 -16.412 0.765 0.365 1.00 0.00 C ATOM 1151 C THR A 75 -17.466 1.584 1.102 1.00 0.00 C ATOM 1152 O THR A 75 -17.397 1.749 2.320 1.00 0.00 O ATOM 1153 CB THR A 75 -16.812 -0.712 0.344 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.821 -1.499 -0.299 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.125 -0.960 -0.367 1.00 0.00 C ATOM 0 H THR A 75 -15.072 0.712 1.980 1.00 0.00 H new ATOM 0 HA THR A 75 -16.351 1.129 -0.661 1.00 0.00 H new ATOM 0 HB THR A 75 -16.918 -0.996 1.391 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.098 -2.439 -0.298 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.353 -2.026 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.920 -0.409 0.135 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.048 -0.624 -1.401 1.00 0.00 H new ATOM 1163 N THR A 76 -18.441 2.094 0.353 1.00 0.00 N ATOM 1164 CA THR A 76 -19.512 2.898 0.934 1.00 0.00 C ATOM 1165 C THR A 76 -20.791 2.074 1.069 1.00 0.00 C ATOM 1166 O THR A 76 -21.815 2.393 0.463 1.00 0.00 O ATOM 1167 CB THR A 76 -19.771 4.143 0.078 1.00 0.00 C ATOM 1168 OG1 THR A 76 -19.209 3.993 -1.214 1.00 0.00 O ATOM 1169 CG2 THR A 76 -19.202 5.411 0.679 1.00 0.00 C ATOM 0 H THR A 76 -18.511 1.965 -0.656 1.00 0.00 H new ATOM 0 HA THR A 76 -19.200 3.217 1.929 1.00 0.00 H new ATOM 0 HB THR A 76 -20.856 4.236 0.028 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.635 4.623 -1.831 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.420 6.254 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 76 -19.653 5.585 1.656 1.00 0.00 H new ATOM 0 HG23 THR A 76 -18.123 5.308 0.791 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.792 -13.168 6.222 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.342 -13.198 6.265 1.00 0.00 C ATOM 1296 C GLY A 84 -10.772 -12.134 7.180 1.00 0.00 C ATOM 1297 O GLY A 84 -10.795 -12.276 8.402 1.00 0.00 O ATOM 0 HA2 GLY A 84 -11.011 -14.180 6.603 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.948 -13.058 5.258 1.00 0.00 H new ATOM 1301 N ASP A 85 -10.260 -11.059 6.588 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.684 -9.965 7.359 1.00 0.00 C ATOM 1303 C ASP A 85 -9.521 -8.724 6.493 1.00 0.00 C ATOM 1304 O ASP A 85 -8.629 -7.913 6.721 1.00 0.00 O ATOM 1305 CB ASP A 85 -8.330 -10.374 7.945 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.501 -11.200 6.980 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -6.965 -10.621 6.012 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -7.385 -12.425 7.193 1.00 0.00 O ATOM 0 H ASP A 85 -10.233 -10.923 5.577 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.366 -9.733 8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.773 -9.479 8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.492 -10.945 8.859 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.391 -8.587 5.498 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.352 -7.448 4.593 1.00 0.00 C ATOM 1315 C ILE A 86 -10.535 -6.132 5.355 1.00 0.00 C ATOM 1316 O ILE A 86 -11.651 -5.776 5.733 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.440 -7.590 3.500 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.062 -8.723 2.538 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -11.645 -6.282 2.740 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -9.976 -8.350 1.552 1.00 0.00 C ATOM 0 H ILE A 86 -11.135 -9.256 5.299 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.372 -7.431 4.116 1.00 0.00 H new ATOM 0 HB ILE A 86 -12.385 -7.833 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.733 -9.585 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.951 -9.031 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -12.415 -6.419 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -11.955 -5.502 3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -10.711 -5.990 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.763 -9.202 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.309 -7.508 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.072 -8.071 2.094 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.436 -5.384 5.584 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.486 -4.102 6.298 1.00 0.00 C ATOM 1334 C PRO A 87 -10.223 -3.035 5.497 1.00 0.00 C ATOM 1335 O PRO A 87 -9.604 -2.186 4.855 1.00 0.00 O ATOM 1336 CB PRO A 87 -8.010 -3.726 6.454 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.330 -4.421 5.327 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.062 -5.720 5.159 1.00 0.00 C ATOM 0 HA PRO A 87 -10.021 -4.177 7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.867 -2.647 6.400 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.617 -4.052 7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.373 -3.825 4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.276 -4.590 5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.033 -6.069 4.127 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.631 -6.509 5.775 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.549 -3.094 5.527 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.370 -2.143 4.790 1.00 0.00 C ATOM 1348 C LEU A 88 -12.886 -1.026 5.698 1.00 0.00 C ATOM 1349 O LEU A 88 -12.970 -1.190 6.915 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.543 -2.871 4.140 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.499 -3.541 5.126 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.714 -2.660 5.374 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.916 -4.913 4.614 1.00 0.00 C ATOM 0 H LEU A 88 -12.078 -3.790 6.053 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.749 -1.686 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.105 -2.160 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.152 -3.629 3.461 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.981 -3.676 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.384 -3.153 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.392 -1.704 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.238 -2.490 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.597 -5.376 5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.417 -4.805 3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.033 -5.541 4.495 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.233 0.111 5.094 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.744 1.258 5.843 1.00 0.00 C ATOM 1367 C VAL A 89 -14.924 1.905 5.123 1.00 0.00 C ATOM 1368 O VAL A 89 -15.012 1.865 3.895 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.653 2.334 6.057 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -13.009 3.236 7.231 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.287 1.695 6.267 1.00 0.00 C ATOM 0 H VAL A 89 -13.169 0.262 4.087 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.066 0.875 6.811 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.604 2.945 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.229 3.985 7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.959 3.733 7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.095 2.637 8.137 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.540 2.474 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.318 1.051 7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.024 1.102 5.391 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.829 2.508 5.891 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.998 3.171 5.323 1.00 0.00 C ATOM 1383 C HIS A 90 -16.647 4.584 4.860 1.00 0.00 C ATOM 1384 O HIS A 90 -15.777 5.238 5.437 1.00 0.00 O ATOM 1385 CB HIS A 90 -18.131 3.224 6.350 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.602 1.874 6.794 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -18.755 1.526 8.120 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.956 0.778 6.080 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -19.181 0.279 8.203 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -19.312 -0.198 6.979 1.00 0.00 N ATOM 0 H HIS A 90 -15.774 2.550 6.909 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.329 2.595 4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.795 3.787 7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.972 3.770 5.923 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.958 0.688 5.004 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -19.387 -0.259 9.116 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -19.626 -1.138 6.740 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.325 5.046 3.815 1.00 0.00 N ATOM 1400 CA GLY A 91 -17.071 6.374 3.286 1.00 0.00 C ATOM 1401 C GLY A 91 -18.275 7.291 3.394 1.00 0.00 C ATOM 1402 O GLY A 91 -18.408 8.244 2.625 1.00 0.00 O ATOM 0 H GLY A 91 -18.049 4.522 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.232 6.819 3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.775 6.293 2.240 1.00 0.00 H new ATOM 1406 N MET A 92 -19.148 7.013 4.357 1.00 0.00 N ATOM 1407 CA MET A 92 -20.339 7.829 4.573 1.00 0.00 C ATOM 1408 C MET A 92 -19.952 9.292 4.793 1.00 0.00 C ATOM 1409 O MET A 92 -20.462 10.189 4.122 1.00 0.00 O ATOM 1410 CB MET A 92 -21.121 7.314 5.786 1.00 0.00 C ATOM 1411 CG MET A 92 -22.629 7.329 5.599 1.00 0.00 C ATOM 1412 SD MET A 92 -23.457 6.046 6.560 1.00 0.00 S ATOM 1413 CE MET A 92 -23.083 6.574 8.231 1.00 0.00 C ATOM 0 H MET A 92 -19.053 6.228 5.001 1.00 0.00 H new ATOM 0 HA MET A 92 -20.968 7.760 3.686 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.802 6.295 6.005 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.867 7.922 6.654 1.00 0.00 H new ATOM 0 HG2 MET A 92 -23.018 8.305 5.890 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.862 7.195 4.543 1.00 0.00 H new ATOM 0 HE1 MET A 92 -23.588 5.919 8.941 1.00 0.00 H new ATOM 0 HE2 MET A 92 -22.007 6.526 8.395 1.00 0.00 H new ATOM 0 HE3 MET A 92 -23.427 7.598 8.374 1.00 0.00 H new ATOM 1423 N PRO A 93 -19.046 9.548 5.752 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.590 10.907 6.073 1.00 0.00 C ATOM 1425 C PRO A 93 -17.718 11.527 4.977 1.00 0.00 C ATOM 1426 O PRO A 93 -17.746 12.741 4.769 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.774 10.711 7.350 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.308 9.298 7.284 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.405 8.533 6.611 1.00 0.00 C ATOM 0 HA PRO A 93 -19.430 11.594 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.934 11.404 7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.380 10.888 8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.377 9.220 6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.113 8.904 8.282 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -18.015 7.699 6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -19.107 8.116 7.333 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.937 10.699 4.287 1.00 0.00 N ATOM 1438 CA PHE A 94 -16.058 11.191 3.226 1.00 0.00 C ATOM 1439 C PHE A 94 -16.864 11.738 2.049 1.00 0.00 C ATOM 1440 O PHE A 94 -16.467 12.711 1.411 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.127 10.071 2.743 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.667 10.437 2.768 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.137 11.152 3.830 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.821 10.058 1.733 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.796 11.482 3.863 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.479 10.388 1.761 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.966 11.100 2.830 1.00 0.00 C ATOM 0 H PHE A 94 -16.894 9.692 4.441 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.460 12.003 3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.281 9.190 3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.405 9.795 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.781 11.455 4.642 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.216 9.499 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.398 12.039 4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.832 10.090 0.949 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.917 11.356 2.856 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.985 11.094 1.752 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.831 11.505 0.637 1.00 0.00 C ATOM 1459 C VAL A 95 -19.675 12.735 0.969 1.00 0.00 C ATOM 1460 O VAL A 95 -20.142 13.437 0.070 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.757 10.356 0.196 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.771 10.023 1.280 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -20.451 10.700 -1.111 1.00 0.00 C ATOM 0 H VAL A 95 -18.331 10.284 2.267 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.158 11.767 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.143 9.470 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.411 9.209 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -20.248 9.720 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.381 10.901 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -21.101 9.876 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -21.047 11.603 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -19.704 10.868 -1.886 1.00 0.00 H new ATOM 1473 N SER A 96 -19.875 12.992 2.257 1.00 0.00 N ATOM 1474 CA SER A 96 -20.670 14.138 2.692 1.00 0.00 C ATOM 1475 C SER A 96 -20.066 15.446 2.192 1.00 0.00 C ATOM 1476 O SER A 96 -20.774 16.438 2.011 1.00 0.00 O ATOM 1477 CB SER A 96 -20.780 14.164 4.218 1.00 0.00 C ATOM 1478 OG SER A 96 -20.976 12.861 4.737 1.00 0.00 O ATOM 0 H SER A 96 -19.499 12.425 3.017 1.00 0.00 H new ATOM 0 HA SER A 96 -21.668 14.034 2.265 1.00 0.00 H new ATOM 0 HB2 SER A 96 -19.874 14.596 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 96 -21.609 14.806 4.515 1.00 0.00 H new ATOM 0 HG SER A 96 -21.200 12.918 5.689 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.755 15.444 1.969 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.085 16.641 1.492 1.00 0.00 C ATOM 1486 C GLY A 97 -17.739 17.611 2.608 1.00 0.00 C ATOM 1487 O GLY A 97 -17.108 18.640 2.367 1.00 0.00 O ATOM 0 H GLY A 97 -18.146 14.638 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.172 16.356 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.724 17.144 0.766 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.155 17.292 3.832 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.885 18.153 4.978 1.00 0.00 C ATOM 1493 C VAL A 98 -16.991 17.457 6.002 1.00 0.00 C ATOM 1494 O VAL A 98 -16.292 18.113 6.775 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.192 18.593 5.667 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -18.910 19.621 6.755 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -20.175 19.149 4.647 1.00 0.00 C ATOM 0 H VAL A 98 -18.679 16.445 4.054 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.368 19.032 4.594 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.641 17.717 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -19.847 19.917 7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -18.248 19.186 7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -18.434 20.497 6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.091 19.454 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.732 20.011 4.147 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -20.407 18.381 3.909 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.020 16.128 6.010 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.210 15.381 6.954 1.00 0.00 C ATOM 1509 C GLY A 99 -14.949 14.803 6.336 1.00 0.00 C ATOM 1510 O GLY A 99 -14.303 13.950 6.936 1.00 0.00 O ATOM 0 H GLY A 99 -17.587 15.558 5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.934 16.034 7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.806 14.570 7.372 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.602 15.259 5.135 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.414 14.762 4.447 1.00 0.00 C ATOM 1516 C ILE A 100 -12.134 15.286 5.086 1.00 0.00 C ATOM 1517 O ILE A 100 -11.220 14.519 5.378 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.401 15.156 2.960 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.772 14.930 2.323 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -12.334 14.363 2.224 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.854 15.392 0.883 1.00 0.00 C ATOM 0 H ILE A 100 -15.124 15.968 4.620 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.454 13.676 4.535 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.168 16.218 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -15.015 13.868 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.527 15.456 2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -12.331 14.647 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.358 14.575 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.547 13.298 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -15.855 15.201 0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.643 16.460 0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.123 14.848 0.284 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.068 16.598 5.286 1.00 0.00 N ATOM 1534 CA GLU A 101 -10.889 17.222 5.878 1.00 0.00 C ATOM 1535 C GLU A 101 -10.536 16.578 7.213 1.00 0.00 C ATOM 1536 O GLU A 101 -9.412 16.118 7.412 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.120 18.722 6.062 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.015 19.514 4.768 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.235 20.379 4.510 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -13.331 20.017 4.988 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -12.093 21.416 3.830 1.00 0.00 O ATOM 0 H GLU A 101 -12.816 17.250 5.047 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.051 17.071 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.107 18.879 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.393 19.109 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.128 20.146 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.881 18.824 3.935 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.500 16.548 8.125 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.286 15.959 9.440 1.00 0.00 C ATOM 1550 C ALA A 102 -10.853 14.500 9.323 1.00 0.00 C ATOM 1551 O ALA A 102 -9.945 14.053 10.022 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.548 16.080 10.280 1.00 0.00 C ATOM 0 H ALA A 102 -12.437 16.924 7.978 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.483 16.506 9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.376 15.636 11.261 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.807 17.132 10.398 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.367 15.558 9.784 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.507 13.764 8.429 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.187 12.355 8.217 1.00 0.00 C ATOM 1560 C LEU A 103 -9.822 12.199 7.568 1.00 0.00 C ATOM 1561 O LEU A 103 -9.012 11.384 8.001 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.252 11.686 7.341 1.00 0.00 C ATOM 1563 CG LEU A 103 -13.075 10.596 8.030 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -13.585 11.073 9.382 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -14.239 10.177 7.149 1.00 0.00 C ATOM 0 H LEU A 103 -12.261 14.119 7.840 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.169 11.869 9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.932 12.455 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.762 11.252 6.470 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.428 9.734 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -14.167 10.280 9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.739 11.329 10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.214 11.952 9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.815 9.401 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.879 11.038 6.958 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.859 9.791 6.203 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.567 12.988 6.530 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.294 12.937 5.824 1.00 0.00 C ATOM 1579 C GLN A 104 -7.130 13.081 6.801 1.00 0.00 C ATOM 1580 O GLN A 104 -6.206 12.268 6.814 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.242 14.039 4.766 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.164 13.834 3.718 1.00 0.00 C ATOM 1583 CD GLN A 104 -6.589 15.143 3.214 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -5.403 15.418 3.386 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -7.431 15.958 2.589 1.00 0.00 N ATOM 0 H GLN A 104 -10.227 13.671 6.159 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.206 11.969 5.331 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.211 14.099 4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.077 14.996 5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.363 13.227 4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.579 13.276 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.407 15.688 2.469 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.101 16.854 2.229 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.180 14.127 7.615 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.134 14.388 8.593 1.00 0.00 C ATOM 1596 C ASN A 105 -5.976 13.221 9.566 1.00 0.00 C ATOM 1597 O ASN A 105 -4.861 12.888 9.975 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.452 15.670 9.367 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.395 16.738 9.176 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -4.907 16.953 8.067 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -5.035 17.417 10.260 1.00 0.00 N ATOM 0 H ASN A 105 -7.937 14.811 7.617 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.194 14.509 8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.418 16.057 9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.542 15.438 10.428 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.328 18.149 10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.466 17.206 11.160 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.095 12.610 9.946 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.077 11.496 10.888 1.00 0.00 C ATOM 1610 C LYS A 106 -6.632 10.206 10.215 1.00 0.00 C ATOM 1611 O LYS A 106 -5.820 9.461 10.759 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.466 11.305 11.508 1.00 0.00 C ATOM 1613 CG LYS A 106 -8.537 11.697 12.976 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.939 11.509 13.537 1.00 0.00 C ATOM 1615 CE LYS A 106 -10.399 12.731 14.316 1.00 0.00 C ATOM 1616 NZ LYS A 106 -11.875 12.739 14.523 1.00 0.00 N ATOM 0 H LYS A 106 -8.025 12.868 9.616 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.359 11.736 11.672 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.189 11.897 10.947 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.760 10.261 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.831 11.095 13.549 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.235 12.738 13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.635 11.314 12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.957 10.634 14.187 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.897 12.754 15.283 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.103 13.634 13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.146 13.589 15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.355 12.743 13.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.155 11.891 15.055 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.161 9.949 9.028 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.810 8.749 8.288 1.00 0.00 C ATOM 1632 C ILE A 107 -5.329 8.751 7.920 1.00 0.00 C ATOM 1633 O ILE A 107 -4.636 7.749 8.095 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.672 8.604 7.015 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.411 7.258 6.337 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.411 9.760 6.060 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -6.281 7.294 5.333 1.00 0.00 C ATOM 0 H ILE A 107 -7.834 10.555 8.558 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.009 7.895 8.936 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.723 8.635 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -7.184 6.514 7.101 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.322 6.931 5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.027 9.642 5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.660 10.701 6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.359 9.767 5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.154 6.305 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -6.515 8.013 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.359 7.590 5.833 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.844 9.887 7.420 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.439 10.018 7.038 1.00 0.00 C ATOM 1651 C LEU A 108 -2.521 9.780 8.230 1.00 0.00 C ATOM 1652 O LEU A 108 -1.540 9.041 8.136 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.159 11.412 6.475 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.704 11.688 5.075 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.830 13.186 4.852 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.806 11.066 4.014 1.00 0.00 C ATOM 0 H LEU A 108 -5.402 10.728 7.270 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.241 9.266 6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.578 12.150 7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.080 11.567 6.461 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.692 11.234 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.219 13.373 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.511 13.608 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.850 13.653 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.213 11.275 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.805 11.489 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.757 9.988 4.166 1.00 0.00 H new ATOM 1668 N THR A 109 -2.843 10.415 9.353 1.00 0.00 N ATOM 1669 CA THR A 109 -2.042 10.283 10.563 1.00 0.00 C ATOM 1670 C THR A 109 -1.924 8.822 10.989 1.00 0.00 C ATOM 1671 O THR A 109 -0.887 8.401 11.499 1.00 0.00 O ATOM 1672 CB THR A 109 -2.651 11.113 11.694 1.00 0.00 C ATOM 1673 OG1 THR A 109 -2.800 12.463 11.297 1.00 0.00 O ATOM 1674 CG2 THR A 109 -1.823 11.095 12.960 1.00 0.00 C ATOM 0 H THR A 109 -3.654 11.026 9.449 1.00 0.00 H new ATOM 0 HA THR A 109 -1.041 10.655 10.347 1.00 0.00 H new ATOM 0 HB THR A 109 -3.617 10.654 11.905 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.720 12.616 10.997 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.311 11.703 13.722 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.729 10.070 13.319 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.832 11.499 12.753 1.00 0.00 H new ATOM 1682 N ILE A 110 -2.988 8.055 10.779 1.00 0.00 N ATOM 1683 CA ILE A 110 -2.987 6.645 11.147 1.00 0.00 C ATOM 1684 C ILE A 110 -2.044 5.844 10.250 1.00 0.00 C ATOM 1685 O ILE A 110 -1.246 5.045 10.739 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.403 6.034 11.081 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.377 6.845 11.937 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.375 4.585 11.547 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -6.805 6.799 11.434 1.00 0.00 C ATOM 0 H ILE A 110 -3.857 8.384 10.358 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.636 6.589 12.177 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.743 6.063 10.046 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.348 6.470 12.960 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -5.044 7.882 11.968 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.380 4.167 11.495 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.709 4.009 10.905 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.016 4.540 12.575 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.441 7.396 12.088 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.847 7.201 10.422 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.156 5.767 11.429 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.130 6.063 8.938 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.267 5.354 7.996 1.00 0.00 C ATOM 1703 C LEU A 111 0.183 5.798 8.151 1.00 0.00 C ATOM 1704 O LEU A 111 1.107 4.991 8.039 1.00 0.00 O ATOM 1705 CB LEU A 111 -1.717 5.585 6.548 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.216 5.428 6.274 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.480 5.462 4.776 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -3.751 4.135 6.879 1.00 0.00 C ATOM 0 H LEU A 111 -2.782 6.719 8.507 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.344 4.291 8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.418 6.591 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.176 4.890 5.906 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.739 6.261 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.548 5.350 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.140 6.414 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.941 4.647 4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.817 4.049 6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.226 3.285 6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.593 4.145 7.957 1.00 0.00 H new ATOM 1720 N GLN A 112 0.378 7.088 8.404 1.00 0.00 N ATOM 1721 CA GLN A 112 1.716 7.644 8.570 1.00 0.00 C ATOM 1722 C GLN A 112 2.393 7.090 9.819 1.00 0.00 C ATOM 1723 O GLN A 112 3.590 6.804 9.813 1.00 0.00 O ATOM 1724 CB GLN A 112 1.649 9.170 8.643 1.00 0.00 C ATOM 1725 CG GLN A 112 1.401 9.830 7.296 1.00 0.00 C ATOM 1726 CD GLN A 112 2.085 11.178 7.173 1.00 0.00 C ATOM 1727 OE1 GLN A 112 3.153 11.292 6.571 1.00 0.00 O ATOM 1728 NE2 GLN A 112 1.469 12.207 7.741 1.00 0.00 N ATOM 0 H GLN A 112 -0.375 7.769 8.499 1.00 0.00 H new ATOM 0 HA GLN A 112 2.311 7.353 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.855 9.459 9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.584 9.548 9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.756 9.173 6.502 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.328 9.956 7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.585 12.066 8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.880 13.139 7.689 1.00 0.00 H new ATOM 1737 N GLY A 113 1.621 6.940 10.891 1.00 0.00 N ATOM 1738 CA GLY A 113 2.169 6.420 12.130 1.00 0.00 C ATOM 1739 C GLY A 113 2.440 7.512 13.147 1.00 0.00 C ATOM 1740 O GLY A 113 2.977 7.196 14.229 1.00 0.00 O ATOM 1741 OXT GLY A 113 2.116 8.684 12.860 1.00 0.00 O ATOM 0 H GLY A 113 0.628 7.169 10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.474 5.696 12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.096 5.887 11.918 1.00 0.00 H new