USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=17 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 90 HIS : no HD1:sc= -0.535 K(o=-1.2,f=-0.34) USER MOD Set 1.2: A 92 MET CE :methyl 146:sc= -0.704 (180deg=-1.21) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.17) USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= -2.29 (180deg=-3.78!) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 24:sc= 0.134 USER MOD Single : A 35 SER OG : rot 180:sc= 0.137 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 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 70:sc= 0.397 USER MOD Single : A 47 GLN : amide:sc= -0.102 X(o=-0.1,f=0) 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=-0.0087) USER MOD Single : A 50 ASN : amide:sc= -0.0586 K(o=-0.059,f=-1.3) USER MOD Single : A 57 GLN : amide:sc= -0.881 K(o=-0.88,f=0) USER MOD Single : A 58 CYS SG : rot -58:sc= -1.03 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0.096) USER MOD Single : A 65 THR OG1 : rot -62:sc= -0.104 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -3.1 K(o=-3.1,f=-4.1) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -140:sc= -0.199 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -4.19! C(o=-4.2!,f=-3!) USER MOD Single : A 105 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 63:sc= 0.742 USER MOD Single : A 112 GLN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.724 -1.067 -2.622 1.00 0.00 N ATOM 318 CA LYS A 21 3.636 -1.165 -1.169 1.00 0.00 C ATOM 319 C LYS A 21 2.223 -1.549 -0.730 1.00 0.00 C ATOM 320 O LYS A 21 1.972 -2.697 -0.363 1.00 0.00 O ATOM 321 CB LYS A 21 4.058 0.153 -0.510 1.00 0.00 C ATOM 322 CG LYS A 21 4.619 -0.025 0.894 1.00 0.00 C ATOM 323 CD LYS A 21 4.097 1.038 1.848 1.00 0.00 C ATOM 324 CE LYS A 21 4.534 2.431 1.430 1.00 0.00 C ATOM 325 NZ LYS A 21 4.591 3.366 2.588 1.00 0.00 N ATOM 0 HA LYS A 21 4.320 -1.950 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.808 0.639 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.198 0.821 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.353 -1.013 1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.708 0.020 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.008 0.993 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.457 0.831 2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.515 2.377 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.842 2.820 0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.096 4.232 2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.625 3.610 2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.092 2.911 3.378 1.00 0.00 H new ATOM 339 N ARG A 22 1.304 -0.588 -0.767 1.00 0.00 N ATOM 340 CA ARG A 22 -0.078 -0.839 -0.370 1.00 0.00 C ATOM 341 C ARG A 22 -1.037 -0.506 -1.507 1.00 0.00 C ATOM 342 O ARG A 22 -0.740 0.334 -2.356 1.00 0.00 O ATOM 343 CB ARG A 22 -0.436 -0.015 0.870 1.00 0.00 C ATOM 344 CG ARG A 22 0.664 0.028 1.915 1.00 0.00 C ATOM 345 CD ARG A 22 0.211 0.759 3.169 1.00 0.00 C ATOM 346 NE ARG A 22 1.238 1.662 3.689 1.00 0.00 N ATOM 347 CZ ARG A 22 1.940 1.435 4.800 1.00 0.00 C ATOM 348 NH1 ARG A 22 1.785 0.305 5.479 1.00 0.00 N ATOM 349 NH2 ARG A 22 2.812 2.339 5.227 1.00 0.00 N ATOM 0 H ARG A 22 1.491 0.369 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.174 -1.899 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.672 1.004 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.338 -0.429 1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.963 -0.988 2.173 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.542 0.523 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.692 1.328 2.948 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.051 0.031 3.936 1.00 0.00 H new ATOM 0 HE ARG A 22 1.429 2.519 3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.124 -0.400 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.327 0.141 6.327 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.945 3.206 4.706 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.350 2.167 6.076 1.00 0.00 H new ATOM 363 N LYS A 23 -2.188 -1.170 -1.523 1.00 0.00 N ATOM 364 CA LYS A 23 -3.183 -0.941 -2.563 1.00 0.00 C ATOM 365 C LYS A 23 -4.586 -0.834 -1.965 1.00 0.00 C ATOM 366 O LYS A 23 -5.022 -1.714 -1.216 1.00 0.00 O ATOM 367 CB LYS A 23 -3.129 -2.077 -3.588 1.00 0.00 C ATOM 368 CG LYS A 23 -2.426 -1.702 -4.888 1.00 0.00 C ATOM 369 CD LYS A 23 -1.197 -2.567 -5.137 1.00 0.00 C ATOM 370 CE LYS A 23 -1.578 -3.976 -5.563 1.00 0.00 C ATOM 371 NZ LYS A 23 -1.958 -4.828 -4.402 1.00 0.00 N ATOM 0 H LYS A 23 -2.454 -1.869 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.956 0.003 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.618 -2.931 -3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.146 -2.397 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.121 -1.809 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.131 -0.653 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.579 -2.108 -5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.594 -2.612 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.410 -3.929 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.741 -4.434 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.706 -5.817 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.451 -4.505 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.983 -4.758 -4.240 1.00 0.00 H new ATOM 385 N ILE A 24 -5.290 0.250 -2.293 1.00 0.00 N ATOM 386 CA ILE A 24 -6.642 0.468 -1.785 1.00 0.00 C ATOM 387 C ILE A 24 -7.671 0.233 -2.881 1.00 0.00 C ATOM 388 O ILE A 24 -7.409 0.515 -4.046 1.00 0.00 O ATOM 389 CB ILE A 24 -6.832 1.902 -1.243 1.00 0.00 C ATOM 390 CG1 ILE A 24 -6.200 2.934 -2.181 1.00 0.00 C ATOM 391 CG2 ILE A 24 -6.259 2.031 0.155 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.709 3.127 -1.976 1.00 0.00 C ATOM 0 H ILE A 24 -4.946 0.988 -2.907 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.786 -0.242 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.903 2.100 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.377 2.628 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.702 3.891 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.405 3.049 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.766 1.334 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.193 1.802 0.134 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.339 3.874 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.523 3.464 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.193 2.182 -2.145 1.00 0.00 H new ATOM 404 N ILE A 25 -8.849 -0.259 -2.509 1.00 0.00 N ATOM 405 CA ILE A 25 -9.916 -0.507 -3.473 1.00 0.00 C ATOM 406 C ILE A 25 -11.128 0.366 -3.152 1.00 0.00 C ATOM 407 O ILE A 25 -11.424 0.622 -1.984 1.00 0.00 O ATOM 408 CB ILE A 25 -10.334 -1.994 -3.484 1.00 0.00 C ATOM 409 CG1 ILE A 25 -11.407 -2.260 -4.545 1.00 0.00 C ATOM 410 CG2 ILE A 25 -10.832 -2.414 -2.116 1.00 0.00 C ATOM 411 CD1 ILE A 25 -10.911 -3.092 -5.705 1.00 0.00 C ATOM 0 H ILE A 25 -9.089 -0.494 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.535 -0.254 -4.462 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.455 -2.587 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.251 -2.768 -4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.778 -1.307 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.122 -3.464 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.039 -2.274 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.693 -1.806 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.722 -3.242 -6.418 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.086 -2.576 -6.196 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -10.567 -4.059 -5.338 1.00 0.00 H new ATOM 423 N VAL A 26 -11.831 0.818 -4.186 1.00 0.00 N ATOM 424 CA VAL A 26 -13.012 1.655 -4.000 1.00 0.00 C ATOM 425 C VAL A 26 -14.215 1.056 -4.718 1.00 0.00 C ATOM 426 O VAL A 26 -14.229 0.957 -5.944 1.00 0.00 O ATOM 427 CB VAL A 26 -12.780 3.086 -4.528 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.839 4.038 -3.987 1.00 0.00 C ATOM 429 CG2 VAL A 26 -11.383 3.572 -4.178 1.00 0.00 C ATOM 0 H VAL A 26 -11.604 0.619 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.206 1.700 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.866 3.066 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.657 5.041 -4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.826 3.702 -4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.793 4.053 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.243 4.583 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.259 3.573 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.644 2.909 -4.627 1.00 0.00 H new ATOM 439 N ALA A 27 -15.225 0.654 -3.953 1.00 0.00 N ATOM 440 CA ALA A 27 -16.421 0.062 -4.540 1.00 0.00 C ATOM 441 C ALA A 27 -17.637 0.960 -4.357 1.00 0.00 C ATOM 442 O ALA A 27 -17.991 1.332 -3.238 1.00 0.00 O ATOM 443 CB ALA A 27 -16.673 -1.315 -3.947 1.00 0.00 C ATOM 0 H ALA A 27 -15.240 0.726 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.252 -0.044 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.569 -1.745 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.819 -1.961 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.812 -1.227 -2.869 1.00 0.00 H new ATOM 449 N CYS A 28 -18.272 1.305 -5.475 1.00 0.00 N ATOM 450 CA CYS A 28 -19.448 2.166 -5.460 1.00 0.00 C ATOM 451 C CYS A 28 -19.177 3.439 -4.661 1.00 0.00 C ATOM 452 O CYS A 28 -18.034 3.722 -4.301 1.00 0.00 O ATOM 453 CB CYS A 28 -20.650 1.415 -4.881 1.00 0.00 C ATOM 454 SG CYS A 28 -21.813 0.814 -6.129 1.00 0.00 S ATOM 0 H CYS A 28 -17.989 0.999 -6.406 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.677 2.451 -6.487 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -20.289 0.568 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -21.180 2.074 -4.193 1.00 0.00 H new ATOM 0 HG CYS A 28 -22.793 0.191 -5.545 1.00 0.00 H new ATOM 510 N THR A 34 -18.538 12.582 -7.978 1.00 0.00 N ATOM 511 CA THR A 34 -18.244 11.823 -6.771 1.00 0.00 C ATOM 512 C THR A 34 -17.119 10.825 -7.018 1.00 0.00 C ATOM 513 O THR A 34 -16.170 10.738 -6.237 1.00 0.00 O ATOM 514 CB THR A 34 -19.497 11.089 -6.301 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.572 11.994 -6.124 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.306 10.341 -5.000 1.00 0.00 C ATOM 0 HA THR A 34 -17.921 12.519 -5.997 1.00 0.00 H new ATOM 0 HB THR A 34 -19.715 10.364 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.427 12.787 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.236 9.843 -4.726 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.518 9.597 -5.120 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.025 11.043 -4.215 1.00 0.00 H new ATOM 524 N SER A 35 -17.226 10.075 -8.112 1.00 0.00 N ATOM 525 CA SER A 35 -16.211 9.090 -8.463 1.00 0.00 C ATOM 526 C SER A 35 -14.856 9.761 -8.636 1.00 0.00 C ATOM 527 O SER A 35 -13.846 9.291 -8.112 1.00 0.00 O ATOM 528 CB SER A 35 -16.601 8.351 -9.748 1.00 0.00 C ATOM 529 OG SER A 35 -17.824 8.840 -10.270 1.00 0.00 O ATOM 0 H SER A 35 -18.005 10.132 -8.769 1.00 0.00 H new ATOM 0 HA SER A 35 -16.142 8.366 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.813 8.468 -10.491 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.691 7.284 -9.544 1.00 0.00 H new ATOM 0 HG SER A 35 -18.048 8.352 -11.090 1.00 0.00 H new ATOM 535 N THR A 36 -14.845 10.870 -9.366 1.00 0.00 N ATOM 536 CA THR A 36 -13.616 11.612 -9.596 1.00 0.00 C ATOM 537 C THR A 36 -13.189 12.336 -8.326 1.00 0.00 C ATOM 538 O THR A 36 -12.004 12.401 -8.007 1.00 0.00 O ATOM 539 CB THR A 36 -13.798 12.617 -10.737 1.00 0.00 C ATOM 540 OG1 THR A 36 -12.636 13.414 -10.894 1.00 0.00 O ATOM 541 CG2 THR A 36 -14.969 13.554 -10.536 1.00 0.00 C ATOM 0 H THR A 36 -15.672 11.273 -9.807 1.00 0.00 H new ATOM 0 HA THR A 36 -12.837 10.904 -9.878 1.00 0.00 H new ATOM 0 HB THR A 36 -13.988 12.011 -11.623 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.771 14.049 -11.628 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.037 14.238 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.890 12.975 -10.462 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.825 14.125 -9.619 1.00 0.00 H new ATOM 549 N MET A 37 -14.162 12.878 -7.598 1.00 0.00 N ATOM 550 CA MET A 37 -13.879 13.598 -6.361 1.00 0.00 C ATOM 551 C MET A 37 -12.960 12.790 -5.451 1.00 0.00 C ATOM 552 O MET A 37 -11.910 13.274 -5.036 1.00 0.00 O ATOM 553 CB MET A 37 -15.179 13.928 -5.622 1.00 0.00 C ATOM 554 CG MET A 37 -15.593 15.384 -5.746 1.00 0.00 C ATOM 555 SD MET A 37 -16.649 15.926 -4.386 1.00 0.00 S ATOM 556 CE MET A 37 -15.424 16.304 -3.134 1.00 0.00 C ATOM 0 H MET A 37 -15.151 12.832 -7.843 1.00 0.00 H new ATOM 0 HA MET A 37 -13.373 14.526 -6.627 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.979 13.297 -6.010 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.061 13.681 -4.567 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.701 16.010 -5.780 1.00 0.00 H new ATOM 0 HG3 MET A 37 -16.119 15.529 -6.689 1.00 0.00 H new ATOM 0 HE1 MET A 37 -15.923 16.653 -2.230 1.00 0.00 H new ATOM 0 HE2 MET A 37 -14.847 15.407 -2.907 1.00 0.00 H new ATOM 0 HE3 MET A 37 -14.755 17.082 -3.502 1.00 0.00 H new ATOM 566 N ALA A 38 -13.351 11.556 -5.147 1.00 0.00 N ATOM 567 CA ALA A 38 -12.545 10.704 -4.286 1.00 0.00 C ATOM 568 C ALA A 38 -11.240 10.328 -4.970 1.00 0.00 C ATOM 569 O ALA A 38 -10.161 10.620 -4.465 1.00 0.00 O ATOM 570 CB ALA A 38 -13.320 9.456 -3.890 1.00 0.00 C ATOM 0 H ALA A 38 -14.214 11.128 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.307 11.262 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.700 8.832 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.224 9.744 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.591 8.897 -4.785 1.00 0.00 H new ATOM 576 N ALA A 39 -11.341 9.687 -6.129 1.00 0.00 N ATOM 577 CA ALA A 39 -10.157 9.279 -6.880 1.00 0.00 C ATOM 578 C ALA A 39 -9.134 10.410 -6.949 1.00 0.00 C ATOM 579 O ALA A 39 -7.996 10.252 -6.514 1.00 0.00 O ATOM 580 CB ALA A 39 -10.547 8.825 -8.277 1.00 0.00 C ATOM 0 H ALA A 39 -12.227 9.439 -6.569 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.696 8.441 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.654 8.524 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.232 7.980 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.036 9.645 -8.803 1.00 0.00 H new ATOM 586 N GLU A 40 -9.548 11.550 -7.491 1.00 0.00 N ATOM 587 CA GLU A 40 -8.661 12.705 -7.611 1.00 0.00 C ATOM 588 C GLU A 40 -8.141 13.148 -6.244 1.00 0.00 C ATOM 589 O GLU A 40 -6.985 13.547 -6.116 1.00 0.00 O ATOM 590 CB GLU A 40 -9.390 13.870 -8.288 1.00 0.00 C ATOM 591 CG GLU A 40 -8.736 14.333 -9.579 1.00 0.00 C ATOM 592 CD GLU A 40 -9.303 13.636 -10.801 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.030 12.431 -10.978 1.00 0.00 O ATOM 594 OE2 GLU A 40 -10.024 14.297 -11.579 1.00 0.00 O ATOM 0 H GLU A 40 -10.489 11.701 -7.854 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.810 12.407 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.417 13.571 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.438 14.709 -7.594 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.870 15.410 -9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.663 14.149 -9.525 1.00 0.00 H new ATOM 601 N GLU A 41 -8.999 13.070 -5.228 1.00 0.00 N ATOM 602 CA GLU A 41 -8.616 13.468 -3.873 1.00 0.00 C ATOM 603 C GLU A 41 -7.607 12.493 -3.275 1.00 0.00 C ATOM 604 O GLU A 41 -6.567 12.902 -2.757 1.00 0.00 O ATOM 605 CB GLU A 41 -9.845 13.569 -2.967 1.00 0.00 C ATOM 606 CG GLU A 41 -9.638 14.473 -1.762 1.00 0.00 C ATOM 607 CD GLU A 41 -10.208 15.862 -1.971 1.00 0.00 C ATOM 608 OE1 GLU A 41 -11.442 15.980 -2.128 1.00 0.00 O ATOM 609 OE2 GLU A 41 -9.422 16.833 -1.980 1.00 0.00 O ATOM 0 H GLU A 41 -9.959 12.737 -5.316 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.147 14.450 -3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.687 13.942 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.114 12.571 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.106 14.020 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.572 14.550 -1.549 1.00 0.00 H new ATOM 616 N ILE A 42 -7.915 11.202 -3.349 1.00 0.00 N ATOM 617 CA ILE A 42 -7.026 10.181 -2.811 1.00 0.00 C ATOM 618 C ILE A 42 -5.721 10.123 -3.606 1.00 0.00 C ATOM 619 O ILE A 42 -4.648 9.916 -3.039 1.00 0.00 O ATOM 620 CB ILE A 42 -7.679 8.779 -2.810 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.146 8.850 -2.361 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.898 7.839 -1.905 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.325 9.177 -0.896 1.00 0.00 C ATOM 0 H ILE A 42 -8.769 10.840 -3.774 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.818 10.464 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.657 8.394 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.662 9.603 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.626 7.894 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.366 6.855 -1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.873 7.755 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.894 8.232 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.388 9.209 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.840 8.411 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.876 10.147 -0.682 1.00 0.00 H new ATOM 635 N LYS A 43 -5.820 10.316 -4.921 1.00 0.00 N ATOM 636 CA LYS A 43 -4.646 10.292 -5.791 1.00 0.00 C ATOM 637 C LYS A 43 -3.785 11.537 -5.590 1.00 0.00 C ATOM 638 O LYS A 43 -2.591 11.435 -5.305 1.00 0.00 O ATOM 639 CB LYS A 43 -5.073 10.188 -7.261 1.00 0.00 C ATOM 640 CG LYS A 43 -4.338 9.109 -8.042 1.00 0.00 C ATOM 641 CD LYS A 43 -3.585 9.689 -9.231 1.00 0.00 C ATOM 642 CE LYS A 43 -4.529 10.060 -10.365 1.00 0.00 C ATOM 643 NZ LYS A 43 -4.610 8.989 -11.399 1.00 0.00 N ATOM 0 H LYS A 43 -6.700 10.490 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.053 9.417 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.144 9.989 -7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.908 11.150 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.638 8.596 -7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.052 8.363 -8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.030 10.572 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.854 8.964 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.524 10.250 -9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.191 10.987 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.264 9.283 -12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.666 8.825 -11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.957 8.111 -10.963 1.00 0.00 H new ATOM 657 N GLU A 44 -4.395 12.713 -5.742 1.00 0.00 N ATOM 658 CA GLU A 44 -3.674 13.976 -5.581 1.00 0.00 C ATOM 659 C GLU A 44 -2.931 14.016 -4.251 1.00 0.00 C ATOM 660 O GLU A 44 -1.875 14.639 -4.134 1.00 0.00 O ATOM 661 CB GLU A 44 -4.637 15.167 -5.677 1.00 0.00 C ATOM 662 CG GLU A 44 -5.602 15.282 -4.503 1.00 0.00 C ATOM 663 CD GLU A 44 -5.620 16.667 -3.889 1.00 0.00 C ATOM 664 OE1 GLU A 44 -4.695 16.987 -3.114 1.00 0.00 O ATOM 665 OE2 GLU A 44 -6.563 17.432 -4.182 1.00 0.00 O ATOM 0 H GLU A 44 -5.382 12.817 -5.975 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.945 14.046 -6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.055 16.086 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.212 15.083 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.607 15.026 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.326 14.555 -3.739 1.00 0.00 H new ATOM 672 N LEU A 45 -3.493 13.351 -3.251 1.00 0.00 N ATOM 673 CA LEU A 45 -2.893 13.310 -1.926 1.00 0.00 C ATOM 674 C LEU A 45 -1.750 12.302 -1.873 1.00 0.00 C ATOM 675 O LEU A 45 -0.712 12.556 -1.262 1.00 0.00 O ATOM 676 CB LEU A 45 -3.956 12.955 -0.892 1.00 0.00 C ATOM 677 CG LEU A 45 -4.438 14.121 -0.035 1.00 0.00 C ATOM 678 CD1 LEU A 45 -5.522 14.907 -0.758 1.00 0.00 C ATOM 679 CD2 LEU A 45 -4.949 13.608 1.296 1.00 0.00 C ATOM 0 H LEU A 45 -4.367 12.831 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.484 14.295 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.814 12.525 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.558 12.181 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.599 14.792 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.852 15.734 -0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.124 15.299 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.367 14.252 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.291 14.447 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.778 12.920 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.146 13.087 1.818 1.00 0.00 H new ATOM 691 N CYS A 46 -1.951 11.158 -2.518 1.00 0.00 N ATOM 692 CA CYS A 46 -0.939 10.108 -2.548 1.00 0.00 C ATOM 693 C CYS A 46 0.381 10.641 -3.093 1.00 0.00 C ATOM 694 O CYS A 46 1.458 10.230 -2.659 1.00 0.00 O ATOM 695 CB CYS A 46 -1.421 8.934 -3.401 1.00 0.00 C ATOM 696 SG CYS A 46 -2.619 7.863 -2.571 1.00 0.00 S ATOM 0 H CYS A 46 -2.806 10.934 -3.027 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.776 9.764 -1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.869 9.323 -4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.559 8.336 -3.698 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.747 8.496 -2.436 1.00 0.00 H new ATOM 702 N GLN A 47 0.289 11.561 -4.048 1.00 0.00 N ATOM 703 CA GLN A 47 1.473 12.154 -4.657 1.00 0.00 C ATOM 704 C GLN A 47 2.058 13.240 -3.758 1.00 0.00 C ATOM 705 O GLN A 47 3.268 13.292 -3.537 1.00 0.00 O ATOM 706 CB GLN A 47 1.125 12.743 -6.026 1.00 0.00 C ATOM 707 CG GLN A 47 1.049 11.703 -7.132 1.00 0.00 C ATOM 708 CD GLN A 47 0.436 12.251 -8.406 1.00 0.00 C ATOM 709 OE1 GLN A 47 1.115 12.888 -9.211 1.00 0.00 O ATOM 710 NE2 GLN A 47 -0.856 12.006 -8.595 1.00 0.00 N ATOM 0 H GLN A 47 -0.595 11.912 -4.417 1.00 0.00 H new ATOM 0 HA GLN A 47 2.219 11.370 -4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.168 13.260 -5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.872 13.491 -6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.051 11.331 -7.346 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.461 10.853 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.381 11.473 -7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.323 12.350 -9.434 1.00 0.00 H new ATOM 719 N SER A 48 1.189 14.104 -3.237 1.00 0.00 N ATOM 720 CA SER A 48 1.618 15.189 -2.360 1.00 0.00 C ATOM 721 C SER A 48 2.460 14.661 -1.202 1.00 0.00 C ATOM 722 O SER A 48 3.474 15.255 -0.837 1.00 0.00 O ATOM 723 CB SER A 48 0.405 15.947 -1.816 1.00 0.00 C ATOM 724 OG SER A 48 0.799 16.939 -0.885 1.00 0.00 O ATOM 0 H SER A 48 0.184 14.073 -3.408 1.00 0.00 H new ATOM 0 HA SER A 48 2.232 15.871 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.137 16.412 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.281 15.247 -1.338 1.00 0.00 H new ATOM 0 HG SER A 48 0.006 17.410 -0.554 1.00 0.00 H new ATOM 730 N HIS A 49 2.033 13.542 -0.628 1.00 0.00 N ATOM 731 CA HIS A 49 2.750 12.934 0.486 1.00 0.00 C ATOM 732 C HIS A 49 3.843 11.989 -0.008 1.00 0.00 C ATOM 733 O HIS A 49 4.680 11.534 0.771 1.00 0.00 O ATOM 734 CB HIS A 49 1.776 12.177 1.392 1.00 0.00 C ATOM 735 CG HIS A 49 1.136 13.041 2.433 1.00 0.00 C ATOM 736 ND1 HIS A 49 0.653 14.305 2.167 1.00 0.00 N ATOM 737 CD2 HIS A 49 0.902 12.821 3.748 1.00 0.00 C ATOM 738 CE1 HIS A 49 0.150 14.825 3.272 1.00 0.00 C ATOM 739 NE2 HIS A 49 0.289 13.945 4.246 1.00 0.00 N ATOM 0 H HIS A 49 1.194 13.038 -0.916 1.00 0.00 H new ATOM 0 HA HIS A 49 3.224 13.734 1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.998 11.725 0.778 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.308 11.362 1.884 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.151 11.928 4.302 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.298 15.803 3.363 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.010 14.078 5.212 1.00 0.00 H new ATOM 748 N ASN A 50 3.831 11.694 -1.306 1.00 0.00 N ATOM 749 CA ASN A 50 4.821 10.801 -1.894 1.00 0.00 C ATOM 750 C ASN A 50 4.734 9.423 -1.257 1.00 0.00 C ATOM 751 O ASN A 50 5.746 8.843 -0.862 1.00 0.00 O ATOM 752 CB ASN A 50 6.228 11.370 -1.718 1.00 0.00 C ATOM 753 CG ASN A 50 7.171 10.917 -2.814 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.839 10.041 -3.612 1.00 0.00 O ATOM 755 ND2 ASN A 50 8.357 11.513 -2.858 1.00 0.00 N ATOM 0 H ASN A 50 3.147 12.061 -1.968 1.00 0.00 H new ATOM 0 HA ASN A 50 4.612 10.711 -2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.179 12.459 -1.710 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.624 11.062 -0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.034 11.249 -3.574 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.591 12.235 -2.176 1.00 0.00 H new ATOM 762 N ILE A 51 3.516 8.908 -1.151 1.00 0.00 N ATOM 763 CA ILE A 51 3.291 7.603 -0.555 1.00 0.00 C ATOM 764 C ILE A 51 3.040 6.543 -1.622 1.00 0.00 C ATOM 765 O ILE A 51 1.960 6.481 -2.204 1.00 0.00 O ATOM 766 CB ILE A 51 2.102 7.638 0.419 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.263 8.813 1.384 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.995 6.320 1.176 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.098 8.993 2.326 1.00 0.00 C ATOM 0 H ILE A 51 2.669 9.377 -1.471 1.00 0.00 H new ATOM 0 HA ILE A 51 4.195 7.342 -0.005 1.00 0.00 H new ATOM 0 HB ILE A 51 1.179 7.774 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.172 8.669 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.397 9.728 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.148 6.362 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.849 5.504 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.911 6.150 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.286 9.846 2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.189 9.170 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.976 8.094 2.930 1.00 0.00 H new ATOM 781 N PRO A 52 4.045 5.699 -1.897 1.00 0.00 N ATOM 782 CA PRO A 52 3.940 4.636 -2.903 1.00 0.00 C ATOM 783 C PRO A 52 2.722 3.735 -2.683 1.00 0.00 C ATOM 784 O PRO A 52 2.753 2.831 -1.849 1.00 0.00 O ATOM 785 CB PRO A 52 5.237 3.844 -2.706 1.00 0.00 C ATOM 786 CG PRO A 52 6.194 4.828 -2.136 1.00 0.00 C ATOM 787 CD PRO A 52 5.374 5.718 -1.253 1.00 0.00 C ATOM 0 HA PRO A 52 3.812 5.036 -3.909 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.088 3.000 -2.032 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.601 3.438 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.979 4.328 -1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.684 5.400 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.332 5.343 -0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.784 6.727 -1.205 1.00 0.00 H new ATOM 795 N VAL A 53 1.655 3.984 -3.444 1.00 0.00 N ATOM 796 CA VAL A 53 0.432 3.187 -3.338 1.00 0.00 C ATOM 797 C VAL A 53 -0.367 3.224 -4.640 1.00 0.00 C ATOM 798 O VAL A 53 -0.139 4.078 -5.497 1.00 0.00 O ATOM 799 CB VAL A 53 -0.473 3.664 -2.185 1.00 0.00 C ATOM 800 CG1 VAL A 53 0.190 3.418 -0.840 1.00 0.00 C ATOM 801 CG2 VAL A 53 -0.835 5.131 -2.352 1.00 0.00 C ATOM 0 H VAL A 53 1.613 4.729 -4.139 1.00 0.00 H new ATOM 0 HA VAL A 53 0.751 2.165 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.395 3.084 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.467 3.763 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.381 2.352 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.133 3.963 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.474 5.444 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.074 5.732 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.365 5.270 -3.294 1.00 0.00 H new ATOM 811 N GLU A 54 -1.299 2.282 -4.782 1.00 0.00 N ATOM 812 CA GLU A 54 -2.131 2.195 -5.982 1.00 0.00 C ATOM 813 C GLU A 54 -3.608 2.040 -5.611 1.00 0.00 C ATOM 814 O GLU A 54 -3.980 1.119 -4.884 1.00 0.00 O ATOM 815 CB GLU A 54 -1.684 1.016 -6.863 1.00 0.00 C ATOM 816 CG GLU A 54 -0.225 0.606 -6.677 1.00 0.00 C ATOM 817 CD GLU A 54 0.570 0.653 -7.968 1.00 0.00 C ATOM 818 OE1 GLU A 54 0.050 0.187 -9.003 1.00 0.00 O ATOM 819 OE2 GLU A 54 1.713 1.155 -7.940 1.00 0.00 O ATOM 0 H GLU A 54 -1.497 1.568 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.010 3.121 -6.544 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.320 0.157 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.844 1.279 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.242 1.265 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.186 -0.404 -6.268 1.00 0.00 H new ATOM 826 N LEU A 55 -4.443 2.949 -6.117 1.00 0.00 N ATOM 827 CA LEU A 55 -5.879 2.918 -5.840 1.00 0.00 C ATOM 828 C LEU A 55 -6.639 2.159 -6.931 1.00 0.00 C ATOM 829 O LEU A 55 -6.622 2.546 -8.098 1.00 0.00 O ATOM 830 CB LEU A 55 -6.422 4.348 -5.713 1.00 0.00 C ATOM 831 CG LEU A 55 -7.926 4.465 -5.445 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.224 4.316 -3.962 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.449 5.800 -5.956 1.00 0.00 C ATOM 0 H LEU A 55 -4.149 3.716 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.030 2.392 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.888 4.850 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.192 4.887 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.432 3.660 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.298 4.403 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.881 3.340 -3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.707 5.098 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.519 5.871 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.932 6.613 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.271 5.874 -7.029 1.00 0.00 H new ATOM 845 N ILE A 56 -7.299 1.075 -6.535 1.00 0.00 N ATOM 846 CA ILE A 56 -8.067 0.244 -7.463 1.00 0.00 C ATOM 847 C ILE A 56 -9.557 0.524 -7.323 1.00 0.00 C ATOM 848 O ILE A 56 -10.027 0.896 -6.249 1.00 0.00 O ATOM 849 CB ILE A 56 -7.817 -1.278 -7.272 1.00 0.00 C ATOM 850 CG1 ILE A 56 -7.026 -1.574 -5.990 1.00 0.00 C ATOM 851 CG2 ILE A 56 -7.096 -1.856 -8.482 1.00 0.00 C ATOM 852 CD1 ILE A 56 -5.581 -1.122 -6.042 1.00 0.00 C ATOM 0 H ILE A 56 -7.318 0.747 -5.569 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.722 0.512 -8.462 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.791 -1.757 -7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.519 -1.086 -5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.054 -2.646 -5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.929 -2.923 -8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.705 -1.707 -9.374 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.137 -1.353 -8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.089 -1.366 -5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.070 -1.630 -6.860 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.542 -0.045 -6.203 1.00 0.00 H new ATOM 864 N GLN A 57 -10.300 0.341 -8.411 1.00 0.00 N ATOM 865 CA GLN A 57 -11.739 0.570 -8.403 1.00 0.00 C ATOM 866 C GLN A 57 -12.482 -0.678 -8.870 1.00 0.00 C ATOM 867 O GLN A 57 -12.188 -1.223 -9.935 1.00 0.00 O ATOM 868 CB GLN A 57 -12.090 1.752 -9.312 1.00 0.00 C ATOM 869 CG GLN A 57 -12.416 3.030 -8.556 1.00 0.00 C ATOM 870 CD GLN A 57 -11.307 4.060 -8.646 1.00 0.00 C ATOM 871 OE1 GLN A 57 -11.345 4.959 -9.487 1.00 0.00 O ATOM 872 NE2 GLN A 57 -10.313 3.935 -7.776 1.00 0.00 N ATOM 0 H GLN A 57 -9.927 0.034 -9.310 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.045 0.800 -7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.254 1.942 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.944 1.480 -9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -13.337 3.458 -8.953 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.601 2.791 -7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.323 3.174 -7.096 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.539 4.599 -7.787 1.00 0.00 H new ATOM 881 N CYS A 58 -13.446 -1.125 -8.073 1.00 0.00 N ATOM 882 CA CYS A 58 -14.236 -2.307 -8.405 1.00 0.00 C ATOM 883 C CYS A 58 -15.647 -2.171 -7.839 1.00 0.00 C ATOM 884 O CYS A 58 -15.909 -1.292 -7.026 1.00 0.00 O ATOM 885 CB CYS A 58 -13.567 -3.570 -7.858 1.00 0.00 C ATOM 886 SG CYS A 58 -12.746 -4.575 -9.116 1.00 0.00 S ATOM 0 H CYS A 58 -13.701 -0.685 -7.189 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.297 -2.390 -9.490 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -12.835 -3.282 -7.103 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.320 -4.179 -7.356 1.00 0.00 H new ATOM 0 HG CYS A 58 -13.610 -4.928 -10.021 1.00 0.00 H new ATOM 892 N ARG A 59 -16.552 -3.042 -8.268 1.00 0.00 N ATOM 893 CA ARG A 59 -17.933 -3.012 -7.796 1.00 0.00 C ATOM 894 C ARG A 59 -18.049 -3.676 -6.419 1.00 0.00 C ATOM 895 O ARG A 59 -17.087 -3.698 -5.654 1.00 0.00 O ATOM 896 CB ARG A 59 -18.834 -3.721 -8.813 1.00 0.00 C ATOM 897 CG ARG A 59 -20.228 -3.123 -8.946 1.00 0.00 C ATOM 898 CD ARG A 59 -21.123 -4.008 -9.799 1.00 0.00 C ATOM 899 NE ARG A 59 -22.501 -4.047 -9.308 1.00 0.00 N ATOM 900 CZ ARG A 59 -23.025 -5.066 -8.624 1.00 0.00 C ATOM 901 NH1 ARG A 59 -22.285 -6.125 -8.314 1.00 0.00 N ATOM 902 NH2 ARG A 59 -24.295 -5.024 -8.243 1.00 0.00 N ATOM 0 H ARG A 59 -16.355 -3.780 -8.944 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.253 -1.975 -7.696 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.348 -3.698 -9.788 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -18.928 -4.769 -8.528 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.670 -2.999 -7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.161 -2.131 -9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -21.117 -3.644 -10.826 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -20.718 -5.020 -9.817 1.00 0.00 H new ATOM 0 HE ARG A 59 -23.099 -3.244 -9.501 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -21.306 -6.165 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -22.695 -6.898 -7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -24.870 -4.213 -8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.697 -5.802 -7.720 1.00 0.00 H new ATOM 916 N VAL A 60 -19.227 -4.221 -6.112 1.00 0.00 N ATOM 917 CA VAL A 60 -19.460 -4.885 -4.834 1.00 0.00 C ATOM 918 C VAL A 60 -19.214 -6.391 -4.936 1.00 0.00 C ATOM 919 O VAL A 60 -19.266 -7.106 -3.935 1.00 0.00 O ATOM 920 CB VAL A 60 -20.900 -4.645 -4.340 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.082 -5.163 -2.921 1.00 0.00 C ATOM 922 CG2 VAL A 60 -21.253 -3.168 -4.423 1.00 0.00 C ATOM 0 H VAL A 60 -20.035 -4.214 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 60 -18.756 -4.456 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.579 -5.198 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.106 -4.982 -2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -20.877 -6.233 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -20.393 -4.646 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -22.273 -3.017 -4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -20.566 -2.594 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -21.173 -2.832 -5.457 1.00 0.00 H new ATOM 932 N ASN A 61 -18.950 -6.870 -6.152 1.00 0.00 N ATOM 933 CA ASN A 61 -18.701 -8.290 -6.379 1.00 0.00 C ATOM 934 C ASN A 61 -17.464 -8.496 -7.248 1.00 0.00 C ATOM 935 O ASN A 61 -17.482 -9.282 -8.196 1.00 0.00 O ATOM 936 CB ASN A 61 -19.917 -8.938 -7.042 1.00 0.00 C ATOM 937 CG ASN A 61 -20.040 -10.411 -6.708 1.00 0.00 C ATOM 938 OD1 ASN A 61 -19.480 -11.264 -7.396 1.00 0.00 O ATOM 939 ND2 ASN A 61 -20.775 -10.716 -5.646 1.00 0.00 N ATOM 0 H ASN A 61 -18.904 -6.295 -6.993 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.524 -8.762 -5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -20.821 -8.419 -6.723 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -19.845 -8.818 -8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -20.894 -11.691 -5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -21.221 -9.975 -5.105 1.00 0.00 H new ATOM 946 N GLU A 62 -16.393 -7.787 -6.919 1.00 0.00 N ATOM 947 CA GLU A 62 -15.146 -7.890 -7.667 1.00 0.00 C ATOM 948 C GLU A 62 -13.943 -7.792 -6.734 1.00 0.00 C ATOM 949 O GLU A 62 -12.915 -8.427 -6.967 1.00 0.00 O ATOM 950 CB GLU A 62 -15.074 -6.795 -8.736 1.00 0.00 C ATOM 951 CG GLU A 62 -16.201 -6.864 -9.755 1.00 0.00 C ATOM 952 CD GLU A 62 -16.418 -5.549 -10.477 1.00 0.00 C ATOM 953 OE1 GLU A 62 -15.524 -4.679 -10.406 1.00 0.00 O ATOM 954 OE2 GLU A 62 -17.483 -5.385 -11.108 1.00 0.00 O ATOM 0 H GLU A 62 -16.362 -7.133 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.123 -8.864 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.096 -5.821 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.119 -6.870 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.978 -7.642 -10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.123 -7.154 -9.252 1.00 0.00 H new ATOM 961 N ILE A 63 -14.077 -7.000 -5.673 1.00 0.00 N ATOM 962 CA ILE A 63 -12.997 -6.832 -4.708 1.00 0.00 C ATOM 963 C ILE A 63 -12.507 -8.179 -4.201 1.00 0.00 C ATOM 964 O ILE A 63 -11.308 -8.394 -4.046 1.00 0.00 O ATOM 965 CB ILE A 63 -13.426 -5.988 -3.495 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.295 -4.804 -3.927 1.00 0.00 C ATOM 967 CG2 ILE A 63 -12.200 -5.505 -2.741 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.731 -4.917 -3.462 1.00 0.00 C ATOM 0 H ILE A 63 -14.920 -6.467 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.197 -6.313 -5.236 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.024 -6.614 -2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.864 -3.883 -3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.277 -4.726 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.512 -4.908 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.624 -6.363 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.583 -4.896 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.293 -4.047 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.178 -5.821 -3.876 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.758 -4.965 -2.373 1.00 0.00 H new ATOM 980 N GLU A 64 -13.441 -9.089 -3.941 1.00 0.00 N ATOM 981 CA GLU A 64 -13.090 -10.414 -3.452 1.00 0.00 C ATOM 982 C GLU A 64 -12.073 -11.064 -4.380 1.00 0.00 C ATOM 983 O GLU A 64 -11.178 -11.781 -3.935 1.00 0.00 O ATOM 984 CB GLU A 64 -14.331 -11.298 -3.324 1.00 0.00 C ATOM 985 CG GLU A 64 -14.221 -12.324 -2.207 1.00 0.00 C ATOM 986 CD GLU A 64 -14.851 -13.654 -2.567 1.00 0.00 C ATOM 987 OE1 GLU A 64 -14.253 -14.395 -3.376 1.00 0.00 O ATOM 988 OE2 GLU A 64 -15.940 -13.957 -2.037 1.00 0.00 O ATOM 0 H GLU A 64 -14.442 -8.932 -4.061 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.648 -10.305 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.202 -10.667 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.500 -11.815 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.170 -12.479 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.700 -11.931 -1.310 1.00 0.00 H new ATOM 995 N THR A 65 -12.218 -10.808 -5.676 1.00 0.00 N ATOM 996 CA THR A 65 -11.307 -11.373 -6.659 1.00 0.00 C ATOM 997 C THR A 65 -10.035 -10.532 -6.777 1.00 0.00 C ATOM 998 O THR A 65 -8.935 -11.081 -6.855 1.00 0.00 O ATOM 999 CB THR A 65 -11.998 -11.502 -8.019 1.00 0.00 C ATOM 1000 OG1 THR A 65 -12.129 -10.241 -8.642 1.00 0.00 O ATOM 1001 CG2 THR A 65 -13.379 -12.114 -7.931 1.00 0.00 C ATOM 0 H THR A 65 -12.952 -10.217 -6.066 1.00 0.00 H new ATOM 0 HA THR A 65 -11.020 -12.369 -6.321 1.00 0.00 H new ATOM 0 HB THR A 65 -11.358 -12.163 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.687 -9.658 -8.086 1.00 0.00 H new ATOM 0 HG21 THR A 65 -13.813 -12.177 -8.929 1.00 0.00 H new ATOM 0 HG22 THR A 65 -13.307 -13.114 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.013 -11.493 -7.298 1.00 0.00 H new ATOM 1009 N TYR A 66 -10.173 -9.203 -6.795 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.004 -8.327 -6.909 1.00 0.00 C ATOM 1011 C TYR A 66 -8.306 -8.141 -5.561 1.00 0.00 C ATOM 1012 O TYR A 66 -7.248 -7.517 -5.489 1.00 0.00 O ATOM 1013 CB TYR A 66 -9.410 -6.956 -7.465 1.00 0.00 C ATOM 1014 CG TYR A 66 -9.820 -6.977 -8.923 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -10.911 -7.723 -9.341 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -9.118 -6.251 -9.878 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -11.294 -7.750 -10.668 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -9.495 -6.270 -11.208 1.00 0.00 C ATOM 1019 CZ TYR A 66 -10.582 -7.022 -11.597 1.00 0.00 C ATOM 1020 OH TYR A 66 -10.960 -7.044 -12.922 1.00 0.00 O ATOM 0 H TYR A 66 -11.067 -8.716 -6.733 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.307 -8.807 -7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.237 -6.566 -6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.576 -6.265 -7.343 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.472 -8.294 -8.616 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.264 -5.663 -9.576 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -12.146 -8.338 -10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.941 -5.699 -11.938 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.355 -6.477 -13.444 1.00 0.00 H new ATOM 1030 N MET A 67 -8.881 -8.701 -4.497 1.00 0.00 N ATOM 1031 CA MET A 67 -8.278 -8.606 -3.167 1.00 0.00 C ATOM 1032 C MET A 67 -7.108 -9.576 -3.020 1.00 0.00 C ATOM 1033 O MET A 67 -7.019 -10.303 -2.030 1.00 0.00 O ATOM 1034 CB MET A 67 -9.310 -8.855 -2.068 1.00 0.00 C ATOM 1035 CG MET A 67 -9.860 -10.266 -2.065 1.00 0.00 C ATOM 1036 SD MET A 67 -9.813 -11.038 -0.436 1.00 0.00 S ATOM 1037 CE MET A 67 -9.572 -12.757 -0.879 1.00 0.00 C ATOM 0 H MET A 67 -9.757 -9.222 -4.529 1.00 0.00 H new ATOM 0 HA MET A 67 -7.900 -7.590 -3.057 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.855 -8.649 -1.099 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.134 -8.152 -2.189 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.889 -10.249 -2.423 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.288 -10.874 -2.766 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.523 -13.362 0.026 1.00 0.00 H new ATOM 0 HE2 MET A 67 -10.405 -13.094 -1.496 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.641 -12.862 -1.437 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.217 -9.593 -4.004 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.063 -10.481 -3.965 1.00 0.00 C ATOM 1049 C ASP A 68 -3.949 -9.865 -3.132 1.00 0.00 C ATOM 1050 O ASP A 68 -3.160 -10.572 -2.507 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.568 -10.773 -5.384 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.799 -12.215 -5.790 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -4.716 -13.099 -4.912 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -5.065 -12.460 -6.985 1.00 0.00 O ATOM 0 H ASP A 68 -6.271 -9.004 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.363 -11.421 -3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.078 -10.114 -6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.504 -10.546 -5.449 1.00 0.00 H new ATOM 1059 N GLY A 69 -3.899 -8.539 -3.123 1.00 0.00 N ATOM 1060 CA GLY A 69 -2.888 -7.841 -2.360 1.00 0.00 C ATOM 1061 C GLY A 69 -3.335 -6.453 -1.951 1.00 0.00 C ATOM 1062 O GLY A 69 -2.548 -5.507 -1.980 1.00 0.00 O ATOM 0 H GLY A 69 -4.544 -7.935 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.644 -8.419 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.975 -7.767 -2.952 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.600 -6.328 -1.558 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.143 -5.046 -1.135 1.00 0.00 C ATOM 1068 C VAL A 70 -4.834 -4.800 0.338 1.00 0.00 C ATOM 1069 O VAL A 70 -5.048 -5.671 1.182 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.664 -4.974 -1.379 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.212 -3.608 -1.000 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -6.974 -5.286 -2.833 1.00 0.00 C ATOM 0 H VAL A 70 -5.266 -7.100 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.668 -4.268 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.149 -5.718 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.286 -3.584 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.018 -3.418 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.725 -2.841 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.051 -5.233 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.474 -4.561 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.620 -6.289 -3.073 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.315 -3.616 0.637 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.956 -3.254 2.002 1.00 0.00 C ATOM 1084 C HIS A 71 -5.083 -2.490 2.689 1.00 0.00 C ATOM 1085 O HIS A 71 -5.102 -2.364 3.912 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.685 -2.408 1.991 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.455 -3.187 1.641 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -1.393 -4.055 0.572 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.234 -3.226 2.226 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -0.190 -4.597 0.514 1.00 0.00 C ATOM 1091 NE2 HIS A 71 0.532 -4.110 1.506 1.00 0.00 N ATOM 0 H HIS A 71 -4.132 -2.886 -0.052 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.782 -4.172 2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.806 -1.594 1.277 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.551 -1.954 2.973 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.079 -2.667 3.096 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.145 -5.315 -0.219 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.503 -4.351 1.706 1.00 0.00 H new ATOM 1100 N LEU A 72 -6.017 -1.977 1.895 1.00 0.00 N ATOM 1101 CA LEU A 72 -7.140 -1.221 2.427 1.00 0.00 C ATOM 1102 C LEU A 72 -8.299 -1.215 1.425 1.00 0.00 C ATOM 1103 O LEU A 72 -8.076 -1.225 0.217 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.695 0.214 2.718 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.900 0.419 4.009 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.424 0.626 3.697 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.447 1.605 4.790 1.00 0.00 C ATOM 0 H LEU A 72 -6.016 -2.072 0.879 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.481 -1.690 3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.089 0.562 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.581 0.848 2.755 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.003 -0.476 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.872 0.770 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.036 -0.250 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.306 1.506 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.869 1.736 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.373 2.507 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.492 1.423 5.043 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.534 -1.191 1.918 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.694 -1.169 1.027 1.00 0.00 C ATOM 1121 C ILE A 73 -11.739 -0.159 1.493 1.00 0.00 C ATOM 1122 O ILE A 73 -11.934 0.053 2.689 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.346 -2.571 0.847 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -12.831 -2.445 0.463 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.183 -3.415 2.097 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -13.554 -3.769 0.331 1.00 0.00 C ATOM 0 H ILE A 73 -9.758 -1.186 2.913 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.315 -0.859 0.053 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.828 -3.075 0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.339 -1.840 1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.906 -1.908 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.648 -4.389 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.122 -3.549 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.661 -2.914 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.594 -3.590 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.075 -4.370 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.514 -4.301 1.281 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.411 0.458 0.524 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.442 1.447 0.809 1.00 0.00 C ATOM 1140 C CYS A 74 -14.741 1.104 0.084 1.00 0.00 C ATOM 1141 O CYS A 74 -14.799 1.120 -1.147 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.967 2.840 0.392 1.00 0.00 C ATOM 1143 SG CYS A 74 -12.012 3.703 1.660 1.00 0.00 S ATOM 0 H CYS A 74 -12.257 0.288 -0.470 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.632 1.439 1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.359 2.751 -0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.835 3.445 0.131 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.653 4.870 1.214 1.00 0.00 H new ATOM 1149 N THR A 75 -15.783 0.803 0.851 1.00 0.00 N ATOM 1150 CA THR A 75 -17.082 0.465 0.280 1.00 0.00 C ATOM 1151 C THR A 75 -18.207 1.112 1.079 1.00 0.00 C ATOM 1152 O THR A 75 -18.105 1.274 2.294 1.00 0.00 O ATOM 1153 CB THR A 75 -17.278 -1.052 0.244 1.00 0.00 C ATOM 1154 OG1 THR A 75 -16.094 -1.702 -0.180 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.398 -1.488 -0.679 1.00 0.00 C ATOM 0 H THR A 75 -15.754 0.786 1.870 1.00 0.00 H new ATOM 0 HA THR A 75 -17.110 0.848 -0.740 1.00 0.00 H new ATOM 0 HB THR A 75 -17.538 -1.334 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.324 -2.443 -0.778 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.484 -2.574 -0.658 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.336 -1.043 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.180 -1.161 -1.696 1.00 0.00 H new ATOM 1163 N THR A 76 -19.278 1.481 0.389 1.00 0.00 N ATOM 1164 CA THR A 76 -20.421 2.112 1.035 1.00 0.00 C ATOM 1165 C THR A 76 -21.563 1.116 1.214 1.00 0.00 C ATOM 1166 O THR A 76 -22.649 1.293 0.661 1.00 0.00 O ATOM 1167 CB THR A 76 -20.893 3.311 0.213 1.00 0.00 C ATOM 1168 OG1 THR A 76 -20.753 3.050 -1.172 1.00 0.00 O ATOM 1169 CG2 THR A 76 -20.132 4.582 0.520 1.00 0.00 C ATOM 0 H THR A 76 -19.379 1.354 -0.618 1.00 0.00 H new ATOM 0 HA THR A 76 -20.110 2.456 2.021 1.00 0.00 H new ATOM 0 HB THR A 76 -21.938 3.459 0.485 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.061 3.827 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.516 5.394 -0.097 1.00 0.00 H new ATOM 0 HG22 THR A 76 -20.257 4.836 1.573 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.074 4.433 0.306 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.566 -13.236 6.757 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.133 -13.098 6.583 1.00 0.00 C ATOM 1296 C GLY A 84 -10.556 -11.975 7.422 1.00 0.00 C ATOM 1297 O GLY A 84 -10.596 -12.028 8.651 1.00 0.00 O ATOM 0 HA2 GLY A 84 -10.645 -14.035 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.913 -12.913 5.532 1.00 0.00 H new ATOM 1301 N ASP A 85 -10.022 -10.954 6.760 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.440 -9.815 7.458 1.00 0.00 C ATOM 1303 C ASP A 85 -9.337 -8.611 6.531 1.00 0.00 C ATOM 1304 O ASP A 85 -8.484 -7.747 6.719 1.00 0.00 O ATOM 1305 CB ASP A 85 -8.057 -10.176 7.999 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.824 -9.636 9.396 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -8.636 -9.944 10.294 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -6.830 -8.906 9.592 1.00 0.00 O ATOM 0 H ASP A 85 -9.981 -10.892 5.743 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.092 -9.556 8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.945 -11.260 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.293 -9.782 7.328 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.214 -8.561 5.536 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.227 -7.468 4.575 1.00 0.00 C ATOM 1315 C ILE A 86 -10.429 -6.116 5.270 1.00 0.00 C ATOM 1316 O ILE A 86 -11.538 -5.783 5.688 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.336 -7.676 3.524 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.235 -6.615 2.429 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.705 -7.638 4.185 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.346 -6.691 1.400 1.00 0.00 C ATOM 0 H ILE A 86 -10.929 -9.270 5.374 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.257 -7.463 4.078 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.204 -8.656 3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.247 -5.628 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.275 -6.719 1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.478 -7.786 3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.771 -8.429 4.932 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.850 -6.671 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.207 -5.907 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.322 -7.665 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.309 -6.556 1.893 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.354 -5.315 5.408 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.426 -3.998 6.061 1.00 0.00 C ATOM 1334 C PRO A 87 -10.270 -2.990 5.281 1.00 0.00 C ATOM 1335 O PRO A 87 -9.736 -2.162 4.543 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.965 -3.541 6.106 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.296 -4.295 5.009 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.987 -5.627 4.951 1.00 0.00 C ATOM 0 HA PRO A 87 -9.903 -4.065 7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.882 -2.465 5.954 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.511 -3.762 7.072 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.385 -3.766 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.231 -4.415 5.209 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.984 -6.039 3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.504 -6.360 5.597 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.590 -3.068 5.439 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.490 -2.158 4.733 1.00 0.00 C ATOM 1348 C LEU A 88 -12.941 -1.000 5.610 1.00 0.00 C ATOM 1349 O LEU A 88 -13.023 -1.117 6.832 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.706 -2.903 4.176 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.428 -3.828 5.156 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.408 -3.037 6.009 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -15.145 -4.936 4.396 1.00 0.00 C ATOM 0 H LEU A 88 -12.057 -3.745 6.043 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.922 -1.742 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.421 -2.168 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.385 -3.494 3.318 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.692 -4.283 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.914 -3.710 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.868 -2.276 6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.146 -2.557 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.656 -5.590 5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.874 -4.497 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.419 -5.515 3.826 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.225 0.124 4.960 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.664 1.329 5.649 1.00 0.00 C ATOM 1367 C VAL A 89 -14.864 1.953 4.946 1.00 0.00 C ATOM 1368 O VAL A 89 -14.990 1.875 3.724 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.532 2.371 5.717 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -12.907 3.513 6.649 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.231 1.716 6.154 1.00 0.00 C ATOM 0 H VAL A 89 -13.157 0.224 3.947 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.947 1.036 6.660 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.385 2.786 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -12.093 4.238 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -13.811 3.999 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -13.085 3.122 7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.442 2.467 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.361 1.270 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.956 0.941 5.439 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.743 2.566 5.728 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.937 3.199 5.185 1.00 0.00 C ATOM 1383 C HIS A 90 -16.627 4.597 4.659 1.00 0.00 C ATOM 1384 O HIS A 90 -15.807 5.319 5.228 1.00 0.00 O ATOM 1385 CB HIS A 90 -18.020 3.276 6.263 1.00 0.00 C ATOM 1386 CG HIS A 90 -19.288 2.577 5.887 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -20.538 3.099 6.138 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -19.495 1.388 5.273 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -21.460 2.264 5.697 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -20.854 1.218 5.167 1.00 0.00 N ATOM 0 H HIS A 90 -15.651 2.638 6.741 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.295 2.594 4.352 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.635 2.841 7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.240 4.323 6.472 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.734 0.702 4.931 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -22.528 2.411 5.759 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -21.319 0.414 4.747 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.291 4.972 3.569 1.00 0.00 N ATOM 1400 CA GLY A 91 -17.077 6.281 2.980 1.00 0.00 C ATOM 1401 C GLY A 91 -18.291 7.183 3.107 1.00 0.00 C ATOM 1402 O GLY A 91 -18.425 8.159 2.369 1.00 0.00 O ATOM 0 H GLY A 91 -17.974 4.391 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.223 6.757 3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.824 6.164 1.926 1.00 0.00 H new ATOM 1406 N MET A 92 -19.171 6.862 4.051 1.00 0.00 N ATOM 1407 CA MET A 92 -20.373 7.656 4.280 1.00 0.00 C ATOM 1408 C MET A 92 -20.021 9.126 4.516 1.00 0.00 C ATOM 1409 O MET A 92 -20.639 10.018 3.934 1.00 0.00 O ATOM 1410 CB MET A 92 -21.152 7.104 5.477 1.00 0.00 C ATOM 1411 CG MET A 92 -22.638 7.420 5.432 1.00 0.00 C ATOM 1412 SD MET A 92 -23.509 6.491 4.156 1.00 0.00 S ATOM 1413 CE MET A 92 -23.153 4.808 4.656 1.00 0.00 C ATOM 0 H MET A 92 -19.074 6.057 4.670 1.00 0.00 H new ATOM 0 HA MET A 92 -20.997 7.592 3.389 1.00 0.00 H new ATOM 0 HB2 MET A 92 -21.020 6.023 5.519 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.729 7.513 6.395 1.00 0.00 H new ATOM 0 HG2 MET A 92 -23.082 7.199 6.403 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.773 8.487 5.255 1.00 0.00 H new ATOM 0 HE1 MET A 92 -24.006 4.171 4.423 1.00 0.00 H new ATOM 0 HE2 MET A 92 -22.274 4.448 4.121 1.00 0.00 H new ATOM 0 HE3 MET A 92 -22.962 4.780 5.729 1.00 0.00 H new ATOM 1423 N PRO A 93 -19.025 9.405 5.381 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.612 10.780 5.682 1.00 0.00 C ATOM 1425 C PRO A 93 -17.865 11.445 4.526 1.00 0.00 C ATOM 1426 O PRO A 93 -18.025 12.642 4.286 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.696 10.620 6.898 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.163 9.234 6.795 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.233 8.412 6.136 1.00 0.00 C ATOM 0 HA PRO A 93 -19.471 11.427 5.860 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.891 11.355 6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.245 10.764 7.828 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.244 9.215 6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.921 8.837 7.781 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.807 7.655 5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.844 7.888 6.871 1.00 0.00 H new ATOM 1437 N PHE A 94 -17.049 10.672 3.807 1.00 0.00 N ATOM 1438 CA PHE A 94 -16.290 11.212 2.679 1.00 0.00 C ATOM 1439 C PHE A 94 -17.226 11.723 1.588 1.00 0.00 C ATOM 1440 O PHE A 94 -16.943 12.724 0.930 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.349 10.150 2.099 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.980 10.677 1.758 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.834 11.897 1.114 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.840 9.956 2.083 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -12.580 12.384 0.800 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.584 10.440 1.770 1.00 0.00 C ATOM 1447 CZ PHE A 94 -11.454 11.656 1.129 1.00 0.00 C ATOM 0 H PHE A 94 -16.898 9.679 3.984 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.695 12.047 3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.247 9.336 2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.801 9.728 1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -14.711 12.472 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.935 9.005 2.587 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -12.480 13.335 0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.705 9.868 2.027 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.473 12.037 0.885 1.00 0.00 H new ATOM 1457 N VAL A 95 -18.342 11.025 1.399 1.00 0.00 N ATOM 1458 CA VAL A 95 -19.321 11.406 0.387 1.00 0.00 C ATOM 1459 C VAL A 95 -20.100 12.649 0.808 1.00 0.00 C ATOM 1460 O VAL A 95 -20.660 13.355 -0.031 1.00 0.00 O ATOM 1461 CB VAL A 95 -20.312 10.255 0.108 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -21.325 10.657 -0.956 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -19.562 8.995 -0.304 1.00 0.00 C ATOM 0 H VAL A 95 -18.591 10.193 1.934 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.765 11.628 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.859 10.043 1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -22.012 9.830 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.886 11.527 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.803 10.902 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -20.275 8.194 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.986 9.194 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.887 8.695 0.498 1.00 0.00 H new ATOM 1473 N SER A 96 -20.132 12.915 2.111 1.00 0.00 N ATOM 1474 CA SER A 96 -20.844 14.075 2.640 1.00 0.00 C ATOM 1475 C SER A 96 -20.348 15.365 1.992 1.00 0.00 C ATOM 1476 O SER A 96 -21.129 16.278 1.723 1.00 0.00 O ATOM 1477 CB SER A 96 -20.667 14.154 4.158 1.00 0.00 C ATOM 1478 OG SER A 96 -21.863 14.574 4.798 1.00 0.00 O ATOM 0 H SER A 96 -19.673 12.343 2.820 1.00 0.00 H new ATOM 0 HA SER A 96 -21.902 13.958 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.370 13.178 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.862 14.849 4.396 1.00 0.00 H new ATOM 0 HG SER A 96 -21.719 14.613 5.767 1.00 0.00 H new ATOM 1484 N GLY A 97 -19.043 15.434 1.750 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.464 16.617 1.140 1.00 0.00 C ATOM 1486 C GLY A 97 -18.252 17.749 2.133 1.00 0.00 C ATOM 1487 O GLY A 97 -17.706 18.794 1.781 1.00 0.00 O ATOM 0 H GLY A 97 -18.376 14.693 1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.509 16.355 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -19.115 16.962 0.337 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.688 17.544 3.375 1.00 0.00 N ATOM 1492 CA VAL A 98 -18.546 18.558 4.413 1.00 0.00 C ATOM 1493 C VAL A 98 -17.474 18.161 5.423 1.00 0.00 C ATOM 1494 O VAL A 98 -16.747 19.010 5.938 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.874 18.790 5.161 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.809 20.063 5.992 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -21.040 18.839 4.183 1.00 0.00 C ATOM 0 H VAL A 98 -19.142 16.685 3.685 1.00 0.00 H new ATOM 0 HA VAL A 98 -18.252 19.481 3.914 1.00 0.00 H new ATOM 0 HB VAL A 98 -20.035 17.952 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.756 20.207 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -19.004 19.980 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.620 20.915 5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.968 19.003 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -20.887 19.654 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -21.101 17.895 3.642 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.382 16.864 5.700 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.398 16.375 6.646 1.00 0.00 C ATOM 1509 C GLY A 99 -15.238 15.668 5.971 1.00 0.00 C ATOM 1510 O GLY A 99 -14.499 14.923 6.613 1.00 0.00 O ATOM 0 H GLY A 99 -17.972 16.143 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.017 17.211 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.880 15.690 7.343 1.00 0.00 H new ATOM 1514 N ILE A 100 -15.073 15.908 4.673 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.992 15.293 3.916 1.00 0.00 C ATOM 1516 C ILE A 100 -12.636 15.739 4.448 1.00 0.00 C ATOM 1517 O ILE A 100 -11.719 14.932 4.596 1.00 0.00 O ATOM 1518 CB ILE A 100 -14.092 15.639 2.419 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -14.028 17.158 2.219 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -15.379 15.070 1.840 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.424 17.615 0.831 1.00 0.00 C ATOM 0 H ILE A 100 -15.675 16.524 4.126 1.00 0.00 H new ATOM 0 HA ILE A 100 -14.087 14.214 4.034 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.249 15.192 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.681 17.638 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.014 17.499 2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -15.443 15.319 0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.384 13.987 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -16.234 15.496 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.352 18.701 0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.756 17.166 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -15.449 17.307 0.625 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.518 17.032 4.740 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.276 17.590 5.261 1.00 0.00 C ATOM 1535 C GLU A 101 -10.825 16.839 6.512 1.00 0.00 C ATOM 1536 O GLU A 101 -9.691 16.366 6.588 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.459 19.077 5.582 1.00 0.00 C ATOM 1538 CG GLU A 101 -10.437 19.976 4.906 1.00 0.00 C ATOM 1539 CD GLU A 101 -10.803 21.443 5.000 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -11.838 21.836 4.420 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -10.056 22.202 5.654 1.00 0.00 O ATOM 0 H GLU A 101 -13.269 17.712 4.624 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.506 17.481 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.459 19.385 5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.397 19.217 6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.460 19.818 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.347 19.694 3.857 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.720 16.732 7.488 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.415 16.038 8.733 1.00 0.00 C ATOM 1550 C ALA A 102 -11.196 14.550 8.489 1.00 0.00 C ATOM 1551 O ALA A 102 -10.276 13.949 9.043 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.530 16.252 9.745 1.00 0.00 C ATOM 0 H ALA A 102 -12.663 17.117 7.441 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.492 16.454 9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.288 15.728 10.669 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.636 17.317 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.466 15.864 9.343 1.00 0.00 H new ATOM 1558 N LEU A 103 -12.048 13.959 7.659 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.944 12.540 7.346 1.00 0.00 C ATOM 1560 C LEU A 103 -10.623 12.229 6.657 1.00 0.00 C ATOM 1561 O LEU A 103 -9.848 11.396 7.125 1.00 0.00 O ATOM 1562 CB LEU A 103 -13.103 12.095 6.453 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.954 10.690 5.857 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -12.516 9.698 6.924 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -14.255 10.239 5.217 1.00 0.00 C ATOM 0 H LEU A 103 -12.817 14.440 7.192 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.988 11.992 8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.025 12.132 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.210 12.811 5.638 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.185 10.728 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.416 8.707 6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.557 10.009 7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.261 9.666 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -14.128 9.240 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -15.043 10.221 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -14.529 10.932 4.421 1.00 0.00 H new ATOM 1577 N GLN A 104 -10.375 12.899 5.537 1.00 0.00 N ATOM 1578 CA GLN A 104 -9.152 12.689 4.774 1.00 0.00 C ATOM 1579 C GLN A 104 -7.927 12.708 5.682 1.00 0.00 C ATOM 1580 O GLN A 104 -7.042 11.861 5.566 1.00 0.00 O ATOM 1581 CB GLN A 104 -9.015 13.759 3.690 1.00 0.00 C ATOM 1582 CG GLN A 104 -7.796 13.573 2.806 1.00 0.00 C ATOM 1583 CD GLN A 104 -7.701 12.173 2.235 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -7.331 11.228 2.933 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -8.035 12.032 0.960 1.00 0.00 N ATOM 0 H GLN A 104 -11.007 13.593 5.137 1.00 0.00 H new ATOM 0 HA GLN A 104 -9.213 11.708 4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.910 13.751 3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.965 14.740 4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.831 14.294 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.897 13.788 3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.336 12.843 0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.991 11.113 0.520 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.887 13.676 6.589 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.774 13.803 7.521 1.00 0.00 C ATOM 1596 C ASN A 105 -6.608 12.529 8.346 1.00 0.00 C ATOM 1597 O ASN A 105 -5.510 11.983 8.447 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.992 15.001 8.447 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.730 15.816 8.642 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -5.342 16.121 9.769 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -5.081 16.172 7.540 1.00 0.00 N ATOM 0 H ASN A 105 -8.612 14.385 6.699 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.863 13.961 6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.773 15.639 8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -7.347 14.649 9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.224 16.721 7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.439 15.897 6.626 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.705 12.063 8.931 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.679 10.852 9.744 1.00 0.00 C ATOM 1610 C LYS A 106 -7.179 9.662 8.931 1.00 0.00 C ATOM 1611 O LYS A 106 -6.397 8.848 9.423 1.00 0.00 O ATOM 1612 CB LYS A 106 -9.069 10.552 10.310 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.052 10.137 11.774 1.00 0.00 C ATOM 1614 CD LYS A 106 -10.442 9.754 12.262 1.00 0.00 C ATOM 1615 CE LYS A 106 -10.600 8.244 12.379 1.00 0.00 C ATOM 1616 NZ LYS A 106 -11.669 7.723 11.481 1.00 0.00 N ATOM 0 H LYS A 106 -8.622 12.504 8.858 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.991 11.020 10.573 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.697 11.436 10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.529 9.758 9.721 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.374 9.294 11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.665 10.956 12.381 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.628 10.216 13.232 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.191 10.146 11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.654 7.761 12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.834 7.983 13.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.743 6.692 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.577 8.164 11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.433 7.949 10.494 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.628 9.565 7.683 1.00 0.00 N ATOM 1631 CA ILE A 107 -7.218 8.471 6.811 1.00 0.00 C ATOM 1632 C ILE A 107 -5.720 8.529 6.529 1.00 0.00 C ATOM 1633 O ILE A 107 -5.062 7.496 6.405 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.981 8.485 5.472 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -9.489 8.566 5.719 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.642 7.245 4.658 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -10.025 7.430 6.559 1.00 0.00 C ATOM 0 H ILE A 107 -8.274 10.229 7.255 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.456 7.547 7.339 1.00 0.00 H new ATOM 0 HB ILE A 107 -7.675 9.365 4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.718 9.511 6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -10.006 8.573 4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -8.188 7.268 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.571 7.223 4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.924 6.354 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -11.100 7.552 6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.828 6.482 6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.535 7.435 7.533 1.00 0.00 H new ATOM 1649 N LEU A 108 -5.188 9.744 6.430 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.766 9.937 6.163 1.00 0.00 C ATOM 1651 C LEU A 108 -2.919 9.448 7.333 1.00 0.00 C ATOM 1652 O LEU A 108 -1.899 8.787 7.147 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.469 11.411 5.900 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.746 11.885 4.474 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -3.630 13.399 4.394 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.793 11.217 3.490 1.00 0.00 C ATOM 0 H LEU A 108 -5.719 10.609 6.531 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.511 9.354 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.062 12.013 6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.421 11.601 6.132 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.763 11.600 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.829 13.726 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.354 13.856 5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.624 13.703 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.007 11.568 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.765 11.468 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.924 10.136 3.533 1.00 0.00 H new ATOM 1668 N THR A 109 -3.349 9.788 8.540 1.00 0.00 N ATOM 1669 CA THR A 109 -2.630 9.398 9.746 1.00 0.00 C ATOM 1670 C THR A 109 -2.553 7.879 9.880 1.00 0.00 C ATOM 1671 O THR A 109 -1.507 7.331 10.229 1.00 0.00 O ATOM 1672 CB THR A 109 -3.302 10.002 10.981 1.00 0.00 C ATOM 1673 OG1 THR A 109 -4.524 10.634 10.633 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.434 11.023 11.687 1.00 0.00 C ATOM 0 H THR A 109 -4.193 10.334 8.711 1.00 0.00 H new ATOM 0 HA THR A 109 -1.613 9.781 9.668 1.00 0.00 H new ATOM 0 HB THR A 109 -3.476 9.165 11.658 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.149 9.966 10.281 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.965 11.415 12.554 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.507 10.550 12.013 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.204 11.840 11.003 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.663 7.203 9.609 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.710 5.749 9.710 1.00 0.00 C ATOM 1684 C ILE A 110 -2.731 5.088 8.743 1.00 0.00 C ATOM 1685 O ILE A 110 -1.979 4.194 9.130 1.00 0.00 O ATOM 1686 CB ILE A 110 -5.125 5.202 9.444 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -6.161 5.970 10.268 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -5.184 3.714 9.762 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -7.463 6.198 9.535 1.00 0.00 C ATOM 0 H ILE A 110 -4.540 7.636 9.319 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.423 5.505 10.733 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.358 5.340 8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -6.362 5.421 11.188 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -5.742 6.934 10.557 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.190 3.340 9.570 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.472 3.179 9.134 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.933 3.556 10.811 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.151 6.748 10.178 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.274 6.774 8.629 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.904 5.237 9.269 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.751 5.516 7.483 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.862 4.934 6.484 1.00 0.00 C ATOM 1703 C LEU A 111 -0.397 5.169 6.854 1.00 0.00 C ATOM 1704 O LEU A 111 0.473 4.375 6.498 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.183 5.474 5.083 1.00 0.00 C ATOM 1706 CG LEU A 111 -1.600 6.842 4.736 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -0.255 6.683 4.053 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -2.560 7.609 3.840 1.00 0.00 C ATOM 0 H LEU A 111 -3.364 6.253 7.134 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.028 3.857 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.825 4.753 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.267 5.527 4.976 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.457 7.405 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.149 7.666 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.432 6.162 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.378 6.106 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.134 8.583 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.726 7.048 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.509 7.747 4.357 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.131 6.247 7.593 1.00 0.00 N ATOM 1721 CA GLN A 112 1.232 6.552 8.031 1.00 0.00 C ATOM 1722 C GLN A 112 1.468 6.070 9.462 1.00 0.00 C ATOM 1723 O GLN A 112 2.568 6.208 9.996 1.00 0.00 O ATOM 1724 CB GLN A 112 1.509 8.054 7.952 1.00 0.00 C ATOM 1725 CG GLN A 112 1.362 8.632 6.558 1.00 0.00 C ATOM 1726 CD GLN A 112 2.662 8.601 5.778 1.00 0.00 C ATOM 1727 OE1 GLN A 112 3.399 9.586 5.739 1.00 0.00 O ATOM 1728 NE2 GLN A 112 2.950 7.465 5.154 1.00 0.00 N ATOM 0 H GLN A 112 -0.835 6.919 7.899 1.00 0.00 H new ATOM 0 HA GLN A 112 1.913 6.028 7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.828 8.575 8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.520 8.247 8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.602 8.072 6.014 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.009 9.661 6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 112 2.309 6.674 5.214 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.812 7.384 4.615 1.00 0.00 H new ATOM 1737 N GLY A 113 0.430 5.512 10.083 1.00 0.00 N ATOM 1738 CA GLY A 113 0.557 5.031 11.446 1.00 0.00 C ATOM 1739 C GLY A 113 -0.046 5.990 12.454 1.00 0.00 C ATOM 1740 O GLY A 113 -1.287 6.137 12.467 1.00 0.00 O ATOM 1741 OXT GLY A 113 0.721 6.595 13.232 1.00 0.00 O ATOM 0 H GLY A 113 -0.493 5.386 9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.068 4.061 11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.611 4.879 11.678 1.00 0.00 H new