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 180:sc= 0.0308 USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0.164 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 18:sc= 0.427 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0973 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= -1.78! (180deg=-1.99!) USER MOD Single : A 46 CYS SG : rot 72:sc= -1.65! USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 80:sc= 0.38 USER MOD Single : A 49 HIS : no HD1:sc= -1 K(o=-1,f=-0.12) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.304 K(o=-0.3,f=-2.4!) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.125 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 66 TYR OH : rot 58:sc= 0.103 USER MOD Single : A 67 MET CE :methyl 165:sc= -0.0369 (180deg=-0.299) USER MOD Single : A 71 HIS : no HE2:sc= -0.959 K(o=-0.96,f=-2.7!) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 90 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.019) USER MOD Single : A 92 MET CE :methyl 166:sc= -0.0912 (180deg=-0.563) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0.345 X(o=0.35,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.0973 X(o=-0.097,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 90:sc= 1.09 USER MOD Single : A 112 GLN : amide:sc= -0.0139 K(o=-0.014,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 317 N LYS A 21 3.546 -1.765 -2.744 1.00 0.00 N ATOM 318 CA LYS A 21 3.391 -1.734 -1.294 1.00 0.00 C ATOM 319 C LYS A 21 1.956 -2.067 -0.898 1.00 0.00 C ATOM 320 O LYS A 21 1.667 -3.177 -0.449 1.00 0.00 O ATOM 321 CB LYS A 21 3.782 -0.359 -0.741 1.00 0.00 C ATOM 322 CG LYS A 21 5.000 -0.392 0.169 1.00 0.00 C ATOM 323 CD LYS A 21 5.586 0.998 0.363 1.00 0.00 C ATOM 324 CE LYS A 21 7.047 1.053 -0.052 1.00 0.00 C ATOM 325 NZ LYS A 21 7.954 0.605 1.041 1.00 0.00 N ATOM 0 HA LYS A 21 4.054 -2.486 -0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.980 0.315 -1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.938 0.055 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.722 -0.809 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.756 -1.051 -0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.014 1.719 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.493 1.290 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.199 0.425 -0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.304 2.072 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.941 0.658 0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.829 1.220 1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.727 -0.376 1.300 1.00 0.00 H new ATOM 339 N ARG A 22 1.062 -1.097 -1.060 1.00 0.00 N ATOM 340 CA ARG A 22 -0.343 -1.281 -0.716 1.00 0.00 C ATOM 341 C ARG A 22 -1.251 -0.912 -1.889 1.00 0.00 C ATOM 342 O ARG A 22 -0.858 -0.160 -2.779 1.00 0.00 O ATOM 343 CB ARG A 22 -0.695 -0.426 0.505 1.00 0.00 C ATOM 344 CG ARG A 22 -0.348 1.048 0.341 1.00 0.00 C ATOM 345 CD ARG A 22 0.706 1.496 1.344 1.00 0.00 C ATOM 346 NE ARG A 22 0.114 1.892 2.622 1.00 0.00 N ATOM 347 CZ ARG A 22 0.539 2.921 3.356 1.00 0.00 C ATOM 348 NH1 ARG A 22 1.553 3.674 2.946 1.00 0.00 N ATOM 349 NH2 ARG A 22 -0.055 3.202 4.507 1.00 0.00 N ATOM 0 H ARG A 22 1.287 -0.173 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.502 -2.334 -0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.762 -0.519 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.171 -0.819 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.015 1.225 -0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.248 1.649 0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.417 0.686 1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.268 2.333 0.930 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.673 1.347 2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.016 3.468 2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.869 4.458 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.836 2.631 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.269 3.989 5.069 1.00 0.00 H new ATOM 363 N LYS A 23 -2.465 -1.460 -1.894 1.00 0.00 N ATOM 364 CA LYS A 23 -3.419 -1.188 -2.963 1.00 0.00 C ATOM 365 C LYS A 23 -4.817 -0.947 -2.393 1.00 0.00 C ATOM 366 O LYS A 23 -5.389 -1.825 -1.753 1.00 0.00 O ATOM 367 CB LYS A 23 -3.441 -2.356 -3.951 1.00 0.00 C ATOM 368 CG LYS A 23 -2.362 -2.263 -5.019 1.00 0.00 C ATOM 369 CD LYS A 23 -1.285 -3.323 -4.829 1.00 0.00 C ATOM 370 CE LYS A 23 -1.597 -4.585 -5.618 1.00 0.00 C ATOM 371 NZ LYS A 23 -0.381 -5.162 -6.255 1.00 0.00 N ATOM 0 H LYS A 23 -2.809 -2.093 -1.172 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.106 -0.285 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.319 -3.289 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.417 -2.396 -4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.815 -2.377 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.907 -1.273 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.321 -2.924 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.197 -3.567 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.044 -5.325 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.336 -4.358 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.639 -6.020 -6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.032 -4.466 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.314 -5.403 -5.520 1.00 0.00 H new ATOM 385 N ILE A 24 -5.356 0.253 -2.618 1.00 0.00 N ATOM 386 CA ILE A 24 -6.681 0.605 -2.111 1.00 0.00 C ATOM 387 C ILE A 24 -7.739 0.547 -3.210 1.00 0.00 C ATOM 388 O ILE A 24 -7.443 0.776 -4.383 1.00 0.00 O ATOM 389 CB ILE A 24 -6.679 2.011 -1.476 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.535 2.130 -0.469 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.013 2.306 -0.801 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.282 3.547 -0.004 1.00 0.00 C ATOM 0 H ILE A 24 -4.896 0.994 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.931 -0.132 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.532 2.745 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.758 1.507 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.624 1.736 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.986 3.303 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.813 2.257 -1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.196 1.569 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.457 3.554 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.027 4.171 -0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.179 3.938 0.476 1.00 0.00 H new ATOM 404 N ILE A 25 -8.977 0.240 -2.823 1.00 0.00 N ATOM 405 CA ILE A 25 -10.082 0.149 -3.770 1.00 0.00 C ATOM 406 C ILE A 25 -11.165 1.171 -3.444 1.00 0.00 C ATOM 407 O ILE A 25 -11.431 1.456 -2.276 1.00 0.00 O ATOM 408 CB ILE A 25 -10.721 -1.258 -3.774 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.725 -2.294 -3.246 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.195 -1.628 -5.177 1.00 0.00 C ATOM 411 CD1 ILE A 25 -8.565 -2.527 -4.181 1.00 0.00 C ATOM 0 H ILE A 25 -9.238 0.050 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.663 0.352 -4.755 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.589 -1.248 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.345 -1.964 -2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.245 -3.237 -3.079 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.642 -2.622 -5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.936 -0.903 -5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.346 -1.624 -5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.895 -3.271 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.937 -2.886 -5.141 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.023 -1.593 -4.328 1.00 0.00 H new ATOM 423 N VAL A 26 -11.801 1.703 -4.477 1.00 0.00 N ATOM 424 CA VAL A 26 -12.874 2.675 -4.291 1.00 0.00 C ATOM 425 C VAL A 26 -14.159 2.190 -4.956 1.00 0.00 C ATOM 426 O VAL A 26 -14.224 2.072 -6.177 1.00 0.00 O ATOM 427 CB VAL A 26 -12.501 4.054 -4.865 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.602 5.066 -4.582 1.00 0.00 C ATOM 429 CG2 VAL A 26 -11.173 4.531 -4.295 1.00 0.00 C ATOM 0 H VAL A 26 -11.595 1.481 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.029 2.776 -3.217 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.393 3.958 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.321 6.035 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.531 4.731 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.744 5.158 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.927 5.507 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.250 4.610 -3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.390 3.818 -4.553 1.00 0.00 H new ATOM 439 N ALA A 27 -15.181 1.907 -4.152 1.00 0.00 N ATOM 440 CA ALA A 27 -16.450 1.433 -4.693 1.00 0.00 C ATOM 441 C ALA A 27 -17.576 2.422 -4.430 1.00 0.00 C ATOM 442 O ALA A 27 -17.844 2.794 -3.288 1.00 0.00 O ATOM 443 CB ALA A 27 -16.799 0.066 -4.125 1.00 0.00 C ATOM 0 H ALA A 27 -15.156 1.996 -3.136 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.333 1.343 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.749 -0.269 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.017 -0.647 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.882 0.133 -3.040 1.00 0.00 H new ATOM 449 N CYS A 28 -18.223 2.850 -5.509 1.00 0.00 N ATOM 450 CA CYS A 28 -19.317 3.813 -5.419 1.00 0.00 C ATOM 451 C CYS A 28 -20.674 3.113 -5.401 1.00 0.00 C ATOM 452 O CYS A 28 -20.750 1.885 -5.332 1.00 0.00 O ATOM 453 CB CYS A 28 -19.252 4.796 -6.589 1.00 0.00 C ATOM 454 SG CYS A 28 -19.417 4.022 -8.215 1.00 0.00 S ATOM 0 H CYS A 28 -18.009 2.545 -6.458 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.206 4.359 -4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -20.041 5.538 -6.470 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.303 5.331 -6.548 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.351 4.934 -9.139 1.00 0.00 H new ATOM 510 N THR A 34 -18.791 10.971 -7.901 1.00 0.00 N ATOM 511 CA THR A 34 -18.356 10.605 -6.559 1.00 0.00 C ATOM 512 C THR A 34 -17.099 9.745 -6.610 1.00 0.00 C ATOM 513 O THR A 34 -16.155 9.959 -5.849 1.00 0.00 O ATOM 514 CB THR A 34 -19.470 9.855 -5.828 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.737 10.405 -6.143 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.323 9.884 -4.324 1.00 0.00 C ATOM 0 HA THR A 34 -18.125 11.522 -6.016 1.00 0.00 H new ATOM 0 HB THR A 34 -19.391 8.822 -6.167 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.667 10.941 -6.960 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.146 9.334 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.377 9.422 -4.042 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.340 10.917 -3.977 1.00 0.00 H new ATOM 524 N SER A 35 -17.096 8.770 -7.513 1.00 0.00 N ATOM 525 CA SER A 35 -15.958 7.872 -7.667 1.00 0.00 C ATOM 526 C SER A 35 -14.699 8.647 -8.046 1.00 0.00 C ATOM 527 O SER A 35 -13.641 8.460 -7.446 1.00 0.00 O ATOM 528 CB SER A 35 -16.259 6.805 -8.725 1.00 0.00 C ATOM 529 OG SER A 35 -17.536 7.004 -9.308 1.00 0.00 O ATOM 0 H SER A 35 -17.870 8.582 -8.150 1.00 0.00 H new ATOM 0 HA SER A 35 -15.783 7.381 -6.710 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.494 6.833 -9.501 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.215 5.816 -8.270 1.00 0.00 H new ATOM 0 HG SER A 35 -17.701 6.310 -9.980 1.00 0.00 H new ATOM 535 N THR A 36 -14.822 9.515 -9.045 1.00 0.00 N ATOM 536 CA THR A 36 -13.693 10.318 -9.503 1.00 0.00 C ATOM 537 C THR A 36 -13.214 11.255 -8.400 1.00 0.00 C ATOM 538 O THR A 36 -12.019 11.529 -8.279 1.00 0.00 O ATOM 539 CB THR A 36 -14.081 11.123 -10.745 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.489 11.192 -10.882 1.00 0.00 O ATOM 541 CG2 THR A 36 -13.524 10.547 -12.029 1.00 0.00 C ATOM 0 H THR A 36 -15.691 9.680 -9.553 1.00 0.00 H new ATOM 0 HA THR A 36 -12.877 9.643 -9.761 1.00 0.00 H new ATOM 0 HB THR A 36 -13.651 12.113 -10.591 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.715 11.712 -11.681 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.836 11.165 -12.871 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.435 10.528 -11.977 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.899 9.532 -12.165 1.00 0.00 H new ATOM 549 N MET A 37 -14.154 11.739 -7.595 1.00 0.00 N ATOM 550 CA MET A 37 -13.828 12.642 -6.497 1.00 0.00 C ATOM 551 C MET A 37 -12.834 11.987 -5.546 1.00 0.00 C ATOM 552 O MET A 37 -11.778 12.547 -5.251 1.00 0.00 O ATOM 553 CB MET A 37 -15.097 13.039 -5.738 1.00 0.00 C ATOM 554 CG MET A 37 -15.200 14.531 -5.461 1.00 0.00 C ATOM 555 SD MET A 37 -15.092 15.530 -6.958 1.00 0.00 S ATOM 556 CE MET A 37 -16.730 15.291 -7.643 1.00 0.00 C ATOM 0 H MET A 37 -15.147 11.521 -7.682 1.00 0.00 H new ATOM 0 HA MET A 37 -13.373 13.540 -6.915 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.968 12.724 -6.313 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.128 12.499 -4.791 1.00 0.00 H new ATOM 0 HG2 MET A 37 -16.145 14.738 -4.959 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.404 14.824 -4.776 1.00 0.00 H new ATOM 0 HE1 MET A 37 -16.819 15.849 -8.575 1.00 0.00 H new ATOM 0 HE2 MET A 37 -16.892 14.231 -7.837 1.00 0.00 H new ATOM 0 HE3 MET A 37 -17.477 15.648 -6.934 1.00 0.00 H new ATOM 566 N ALA A 38 -13.180 10.794 -5.076 1.00 0.00 N ATOM 567 CA ALA A 38 -12.323 10.052 -4.163 1.00 0.00 C ATOM 568 C ALA A 38 -10.995 9.702 -4.827 1.00 0.00 C ATOM 569 O ALA A 38 -9.931 9.863 -4.231 1.00 0.00 O ATOM 570 CB ALA A 38 -13.034 8.790 -3.688 1.00 0.00 C ATOM 0 H ALA A 38 -14.051 10.320 -5.314 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.111 10.682 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.385 8.242 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.955 9.063 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.272 8.161 -4.546 1.00 0.00 H new ATOM 576 N ALA A 39 -11.065 9.219 -6.067 1.00 0.00 N ATOM 577 CA ALA A 39 -9.867 8.841 -6.811 1.00 0.00 C ATOM 578 C ALA A 39 -8.812 9.942 -6.767 1.00 0.00 C ATOM 579 O ALA A 39 -7.686 9.719 -6.320 1.00 0.00 O ATOM 580 CB ALA A 39 -10.223 8.506 -8.250 1.00 0.00 C ATOM 0 H ALA A 39 -11.938 9.081 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.444 7.956 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.320 8.226 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.928 7.675 -8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.676 9.376 -8.725 1.00 0.00 H new ATOM 586 N GLU A 40 -9.186 11.129 -7.230 1.00 0.00 N ATOM 587 CA GLU A 40 -8.273 12.266 -7.242 1.00 0.00 C ATOM 588 C GLU A 40 -7.843 12.633 -5.824 1.00 0.00 C ATOM 589 O GLU A 40 -6.660 12.849 -5.560 1.00 0.00 O ATOM 590 CB GLU A 40 -8.938 13.471 -7.912 1.00 0.00 C ATOM 591 CG GLU A 40 -8.870 13.439 -9.430 1.00 0.00 C ATOM 592 CD GLU A 40 -8.912 14.824 -10.045 1.00 0.00 C ATOM 593 OE1 GLU A 40 -9.995 15.448 -10.029 1.00 0.00 O ATOM 594 OE2 GLU A 40 -7.863 15.286 -10.540 1.00 0.00 O ATOM 0 H GLU A 40 -10.114 11.329 -7.602 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.387 11.984 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.983 13.516 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.461 14.384 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.953 12.936 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.702 12.849 -9.815 1.00 0.00 H new ATOM 601 N GLU A 41 -8.812 12.699 -4.916 1.00 0.00 N ATOM 602 CA GLU A 41 -8.544 13.043 -3.521 1.00 0.00 C ATOM 603 C GLU A 41 -7.547 12.074 -2.894 1.00 0.00 C ATOM 604 O GLU A 41 -6.546 12.486 -2.312 1.00 0.00 O ATOM 605 CB GLU A 41 -9.839 13.046 -2.713 1.00 0.00 C ATOM 606 CG GLU A 41 -10.716 14.258 -2.974 1.00 0.00 C ATOM 607 CD GLU A 41 -11.950 14.284 -2.093 1.00 0.00 C ATOM 608 OE1 GLU A 41 -11.943 13.611 -1.042 1.00 0.00 O ATOM 609 OE2 GLU A 41 -12.924 14.976 -2.458 1.00 0.00 O ATOM 0 H GLU A 41 -9.795 12.518 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.109 14.042 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.404 12.143 -2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.595 13.006 -1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.135 15.165 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.021 14.263 -4.021 1.00 0.00 H new ATOM 616 N ILE A 42 -7.827 10.783 -3.009 1.00 0.00 N ATOM 617 CA ILE A 42 -6.947 9.770 -2.448 1.00 0.00 C ATOM 618 C ILE A 42 -5.604 9.764 -3.172 1.00 0.00 C ATOM 619 O ILE A 42 -4.573 9.451 -2.582 1.00 0.00 O ATOM 620 CB ILE A 42 -7.576 8.363 -2.509 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.002 8.391 -1.954 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.726 7.371 -1.728 1.00 0.00 C ATOM 623 CD1 ILE A 42 -9.928 7.391 -2.610 1.00 0.00 C ATOM 0 H ILE A 42 -8.652 10.415 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.792 10.026 -1.400 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.615 8.046 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.970 8.195 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.413 9.392 -2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.181 6.382 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.725 7.332 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.662 7.687 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.920 7.468 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.991 7.600 -3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.541 6.383 -2.459 1.00 0.00 H new ATOM 635 N LYS A 43 -5.627 10.116 -4.455 1.00 0.00 N ATOM 636 CA LYS A 43 -4.411 10.155 -5.263 1.00 0.00 C ATOM 637 C LYS A 43 -3.527 11.342 -4.881 1.00 0.00 C ATOM 638 O LYS A 43 -2.350 11.170 -4.564 1.00 0.00 O ATOM 639 CB LYS A 43 -4.764 10.230 -6.750 1.00 0.00 C ATOM 640 CG LYS A 43 -5.046 8.876 -7.378 1.00 0.00 C ATOM 641 CD LYS A 43 -3.817 8.320 -8.080 1.00 0.00 C ATOM 642 CE LYS A 43 -3.895 6.808 -8.231 1.00 0.00 C ATOM 643 NZ LYS A 43 -5.246 6.360 -8.667 1.00 0.00 N ATOM 0 H LYS A 43 -6.475 10.378 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.854 9.238 -5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.639 10.868 -6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.943 10.706 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.373 8.178 -6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.864 8.969 -8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.720 8.780 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.923 8.584 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.152 6.477 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.645 6.335 -7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.233 5.334 -8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.940 6.577 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.510 6.855 -9.543 1.00 0.00 H new ATOM 657 N GLU A 44 -4.094 12.547 -4.920 1.00 0.00 N ATOM 658 CA GLU A 44 -3.343 13.756 -4.584 1.00 0.00 C ATOM 659 C GLU A 44 -2.687 13.631 -3.211 1.00 0.00 C ATOM 660 O GLU A 44 -1.588 14.141 -2.990 1.00 0.00 O ATOM 661 CB GLU A 44 -4.251 14.990 -4.621 1.00 0.00 C ATOM 662 CG GLU A 44 -5.575 14.798 -3.901 1.00 0.00 C ATOM 663 CD GLU A 44 -5.909 15.945 -2.965 1.00 0.00 C ATOM 664 OE1 GLU A 44 -4.977 16.660 -2.544 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.105 16.128 -2.655 1.00 0.00 O ATOM 0 H GLU A 44 -5.066 12.712 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.559 13.876 -5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.723 15.832 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.448 15.254 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.372 14.693 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.542 13.869 -3.332 1.00 0.00 H new ATOM 672 N LEU A 45 -3.366 12.951 -2.292 1.00 0.00 N ATOM 673 CA LEU A 45 -2.842 12.761 -0.943 1.00 0.00 C ATOM 674 C LEU A 45 -1.647 11.811 -0.953 1.00 0.00 C ATOM 675 O LEU A 45 -0.623 12.078 -0.323 1.00 0.00 O ATOM 676 CB LEU A 45 -3.937 12.220 -0.020 1.00 0.00 C ATOM 677 CG LEU A 45 -4.057 12.927 1.334 1.00 0.00 C ATOM 678 CD1 LEU A 45 -2.859 12.608 2.217 1.00 0.00 C ATOM 679 CD2 LEU A 45 -4.197 14.431 1.141 1.00 0.00 C ATOM 0 H LEU A 45 -4.277 12.523 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.508 13.729 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.894 12.293 -0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.751 11.161 0.157 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.954 12.560 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.965 13.120 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.807 11.532 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.945 12.943 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.281 14.916 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.320 14.814 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.090 14.641 0.552 1.00 0.00 H new ATOM 691 N CYS A 46 -1.789 10.701 -1.671 1.00 0.00 N ATOM 692 CA CYS A 46 -0.725 9.707 -1.764 1.00 0.00 C ATOM 693 C CYS A 46 0.565 10.330 -2.290 1.00 0.00 C ATOM 694 O CYS A 46 1.658 9.999 -1.830 1.00 0.00 O ATOM 695 CB CYS A 46 -1.159 8.554 -2.667 1.00 0.00 C ATOM 696 SG CYS A 46 -2.508 7.562 -1.987 1.00 0.00 S ATOM 0 H CYS A 46 -2.631 10.467 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.532 9.323 -0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -1.467 8.957 -3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.302 7.907 -2.851 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.613 8.246 -2.027 1.00 0.00 H new ATOM 702 N GLN A 47 0.430 11.233 -3.255 1.00 0.00 N ATOM 703 CA GLN A 47 1.586 11.903 -3.843 1.00 0.00 C ATOM 704 C GLN A 47 2.091 13.016 -2.930 1.00 0.00 C ATOM 705 O GLN A 47 3.292 13.273 -2.853 1.00 0.00 O ATOM 706 CB GLN A 47 1.224 12.477 -5.213 1.00 0.00 C ATOM 707 CG GLN A 47 2.360 12.412 -6.221 1.00 0.00 C ATOM 708 CD GLN A 47 2.064 11.477 -7.377 1.00 0.00 C ATOM 709 OE1 GLN A 47 2.223 10.261 -7.264 1.00 0.00 O ATOM 710 NE2 GLN A 47 1.629 12.041 -8.497 1.00 0.00 N ATOM 0 H GLN A 47 -0.467 11.518 -3.647 1.00 0.00 H new ATOM 0 HA GLN A 47 2.381 11.167 -3.963 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.366 11.934 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.916 13.516 -5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.554 13.412 -6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.269 12.084 -5.717 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.512 13.053 -8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.412 11.462 -9.308 1.00 0.00 H new ATOM 719 N SER A 48 1.163 13.671 -2.240 1.00 0.00 N ATOM 720 CA SER A 48 1.509 14.758 -1.329 1.00 0.00 C ATOM 721 C SER A 48 2.601 14.327 -0.350 1.00 0.00 C ATOM 722 O SER A 48 3.559 15.062 -0.110 1.00 0.00 O ATOM 723 CB SER A 48 0.271 15.218 -0.558 1.00 0.00 C ATOM 724 OG SER A 48 -0.426 16.230 -1.263 1.00 0.00 O ATOM 0 H SER A 48 0.165 13.468 -2.294 1.00 0.00 H new ATOM 0 HA SER A 48 1.889 15.588 -1.924 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.391 14.369 -0.387 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.568 15.592 0.422 1.00 0.00 H new ATOM 0 HG SER A 48 -0.972 15.822 -1.967 1.00 0.00 H new ATOM 730 N HIS A 49 2.444 13.134 0.214 1.00 0.00 N ATOM 731 CA HIS A 49 3.413 12.602 1.169 1.00 0.00 C ATOM 732 C HIS A 49 4.394 11.639 0.498 1.00 0.00 C ATOM 733 O HIS A 49 5.233 11.036 1.167 1.00 0.00 O ATOM 734 CB HIS A 49 2.693 11.879 2.308 1.00 0.00 C ATOM 735 CG HIS A 49 1.553 12.651 2.897 1.00 0.00 C ATOM 736 ND1 HIS A 49 0.626 12.087 3.747 1.00 0.00 N ATOM 737 CD2 HIS A 49 1.190 13.950 2.763 1.00 0.00 C ATOM 738 CE1 HIS A 49 -0.255 12.999 4.110 1.00 0.00 C ATOM 739 NE2 HIS A 49 0.063 14.140 3.527 1.00 0.00 N ATOM 0 H HIS A 49 1.655 12.516 0.027 1.00 0.00 H new ATOM 0 HA HIS A 49 3.977 13.446 1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.319 10.924 1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.413 11.657 3.096 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.693 14.697 2.167 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.094 12.840 4.771 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.445 15.019 3.627 1.00 0.00 H new ATOM 748 N ASN A 50 4.293 11.503 -0.822 1.00 0.00 N ATOM 749 CA ASN A 50 5.177 10.617 -1.572 1.00 0.00 C ATOM 750 C ASN A 50 5.097 9.176 -1.062 1.00 0.00 C ATOM 751 O ASN A 50 6.085 8.624 -0.576 1.00 0.00 O ATOM 752 CB ASN A 50 6.619 11.122 -1.491 1.00 0.00 C ATOM 753 CG ASN A 50 6.747 12.578 -1.895 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.942 13.454 -1.052 1.00 0.00 O ATOM 755 ND2 ASN A 50 6.638 12.843 -3.191 1.00 0.00 N ATOM 0 H ASN A 50 3.607 11.996 -1.394 1.00 0.00 H new ATOM 0 HA ASN A 50 4.849 10.622 -2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.988 10.997 -0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.251 10.512 -2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.716 13.804 -3.523 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.476 12.085 -3.855 1.00 0.00 H new ATOM 762 N ILE A 51 3.922 8.565 -1.188 1.00 0.00 N ATOM 763 CA ILE A 51 3.728 7.183 -0.752 1.00 0.00 C ATOM 764 C ILE A 51 3.286 6.300 -1.916 1.00 0.00 C ATOM 765 O ILE A 51 2.112 6.296 -2.285 1.00 0.00 O ATOM 766 CB ILE A 51 2.669 7.068 0.363 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.934 8.076 1.482 1.00 0.00 C ATOM 768 CG2 ILE A 51 2.642 5.652 0.917 1.00 0.00 C ATOM 769 CD1 ILE A 51 1.667 8.593 2.130 1.00 0.00 C ATOM 0 H ILE A 51 3.091 9.002 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 51 4.691 6.849 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 51 1.694 7.296 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.559 7.609 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.498 8.917 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.890 5.583 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.396 4.953 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.621 5.403 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.924 9.304 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.051 9.088 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.113 7.760 2.562 1.00 0.00 H new ATOM 781 N PRO A 52 4.213 5.527 -2.510 1.00 0.00 N ATOM 782 CA PRO A 52 3.887 4.636 -3.627 1.00 0.00 C ATOM 783 C PRO A 52 2.703 3.730 -3.304 1.00 0.00 C ATOM 784 O PRO A 52 2.758 2.932 -2.367 1.00 0.00 O ATOM 785 CB PRO A 52 5.161 3.809 -3.809 1.00 0.00 C ATOM 786 CG PRO A 52 6.250 4.671 -3.271 1.00 0.00 C ATOM 787 CD PRO A 52 5.639 5.452 -2.140 1.00 0.00 C ATOM 0 HA PRO A 52 3.595 5.187 -4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.100 2.864 -3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.329 3.566 -4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.088 4.068 -2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.637 5.338 -4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.780 4.950 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.084 6.443 -2.049 1.00 0.00 H new ATOM 795 N VAL A 53 1.632 3.862 -4.077 1.00 0.00 N ATOM 796 CA VAL A 53 0.435 3.058 -3.867 1.00 0.00 C ATOM 797 C VAL A 53 -0.394 2.969 -5.145 1.00 0.00 C ATOM 798 O VAL A 53 -0.224 3.776 -6.059 1.00 0.00 O ATOM 799 CB VAL A 53 -0.430 3.640 -2.724 1.00 0.00 C ATOM 800 CG1 VAL A 53 -1.194 4.877 -3.176 1.00 0.00 C ATOM 801 CG2 VAL A 53 -1.386 2.590 -2.186 1.00 0.00 C ATOM 0 H VAL A 53 1.568 4.518 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 53 0.759 2.056 -3.587 1.00 0.00 H new ATOM 0 HB VAL A 53 0.244 3.941 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.791 5.259 -2.348 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.488 5.643 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.850 4.616 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.985 3.020 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.043 2.251 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.817 1.743 -1.801 1.00 0.00 H new ATOM 811 N GLU A 54 -1.298 1.998 -5.200 1.00 0.00 N ATOM 812 CA GLU A 54 -2.154 1.834 -6.370 1.00 0.00 C ATOM 813 C GLU A 54 -3.622 1.897 -5.973 1.00 0.00 C ATOM 814 O GLU A 54 -4.121 1.030 -5.256 1.00 0.00 O ATOM 815 CB GLU A 54 -1.868 0.506 -7.073 1.00 0.00 C ATOM 816 CG GLU A 54 -0.393 0.142 -7.131 1.00 0.00 C ATOM 817 CD GLU A 54 0.148 0.128 -8.546 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.060 -0.881 -9.252 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.779 1.127 -8.951 1.00 0.00 O ATOM 0 H GLU A 54 -1.457 1.318 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.936 2.650 -7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.408 -0.289 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.260 0.553 -8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.177 0.855 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.247 -0.840 -6.680 1.00 0.00 H new ATOM 826 N LEU A 55 -4.308 2.928 -6.444 1.00 0.00 N ATOM 827 CA LEU A 55 -5.718 3.109 -6.137 1.00 0.00 C ATOM 828 C LEU A 55 -6.589 2.575 -7.267 1.00 0.00 C ATOM 829 O LEU A 55 -6.516 3.048 -8.401 1.00 0.00 O ATOM 830 CB LEU A 55 -6.015 4.585 -5.893 1.00 0.00 C ATOM 831 CG LEU A 55 -7.392 4.882 -5.303 1.00 0.00 C ATOM 832 CD1 LEU A 55 -7.352 4.797 -3.783 1.00 0.00 C ATOM 833 CD2 LEU A 55 -7.872 6.251 -5.754 1.00 0.00 C ATOM 0 H LEU A 55 -3.910 3.653 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.950 2.547 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.256 4.986 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.919 5.120 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.096 4.133 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.342 5.012 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.048 3.794 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.638 5.524 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.855 6.451 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.168 7.012 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.938 6.273 -6.842 1.00 0.00 H new ATOM 845 N ILE A 56 -7.402 1.580 -6.943 1.00 0.00 N ATOM 846 CA ILE A 56 -8.291 0.952 -7.914 1.00 0.00 C ATOM 847 C ILE A 56 -9.746 1.288 -7.607 1.00 0.00 C ATOM 848 O ILE A 56 -10.110 1.508 -6.453 1.00 0.00 O ATOM 849 CB ILE A 56 -8.102 -0.584 -7.955 1.00 0.00 C ATOM 850 CG1 ILE A 56 -7.276 -1.046 -6.749 1.00 0.00 C ATOM 851 CG2 ILE A 56 -7.433 -0.995 -9.264 1.00 0.00 C ATOM 852 CD1 ILE A 56 -6.890 -2.510 -6.782 1.00 0.00 C ATOM 0 H ILE A 56 -7.465 1.186 -6.004 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.031 1.350 -8.895 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.079 -1.065 -7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.369 -0.444 -6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.844 -0.852 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.305 -2.077 -9.283 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.057 -0.689 -10.103 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.459 -0.513 -9.342 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.308 -2.753 -5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.791 -3.123 -6.805 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.293 -2.709 -7.672 1.00 0.00 H new ATOM 864 N GLN A 57 -10.580 1.329 -8.640 1.00 0.00 N ATOM 865 CA GLN A 57 -11.994 1.638 -8.467 1.00 0.00 C ATOM 866 C GLN A 57 -12.849 0.453 -8.910 1.00 0.00 C ATOM 867 O GLN A 57 -12.675 -0.068 -10.011 1.00 0.00 O ATOM 868 CB GLN A 57 -12.358 2.885 -9.275 1.00 0.00 C ATOM 869 CG GLN A 57 -13.798 3.337 -9.096 1.00 0.00 C ATOM 870 CD GLN A 57 -14.676 2.961 -10.272 1.00 0.00 C ATOM 871 OE1 GLN A 57 -14.184 2.688 -11.366 1.00 0.00 O ATOM 872 NE2 GLN A 57 -15.985 2.946 -10.051 1.00 0.00 N ATOM 0 H GLN A 57 -10.301 1.152 -9.605 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.188 1.833 -7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.693 3.699 -8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.179 2.686 -10.332 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.204 2.893 -8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.822 4.418 -8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.349 3.179 -9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -16.627 2.701 -10.805 1.00 0.00 H new ATOM 881 N CYS A 58 -13.762 0.018 -8.046 1.00 0.00 N ATOM 882 CA CYS A 58 -14.626 -1.118 -8.352 1.00 0.00 C ATOM 883 C CYS A 58 -16.059 -0.849 -7.899 1.00 0.00 C ATOM 884 O CYS A 58 -16.314 0.101 -7.167 1.00 0.00 O ATOM 885 CB CYS A 58 -14.087 -2.377 -7.674 1.00 0.00 C ATOM 886 SG CYS A 58 -12.421 -2.841 -8.200 1.00 0.00 S ATOM 0 H CYS A 58 -13.923 0.435 -7.129 1.00 0.00 H new ATOM 0 HA CYS A 58 -14.633 -1.266 -9.432 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -14.087 -2.224 -6.595 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.765 -3.206 -7.878 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.051 -3.916 -7.570 1.00 0.00 H new ATOM 892 N ARG A 59 -16.994 -1.690 -8.334 1.00 0.00 N ATOM 893 CA ARG A 59 -18.397 -1.541 -7.965 1.00 0.00 C ATOM 894 C ARG A 59 -18.654 -2.100 -6.568 1.00 0.00 C ATOM 895 O ARG A 59 -17.718 -2.387 -5.821 1.00 0.00 O ATOM 896 CB ARG A 59 -19.287 -2.260 -8.989 1.00 0.00 C ATOM 897 CG ARG A 59 -19.633 -1.410 -10.202 1.00 0.00 C ATOM 898 CD ARG A 59 -18.416 -1.166 -11.082 1.00 0.00 C ATOM 899 NE ARG A 59 -18.787 -0.890 -12.467 1.00 0.00 N ATOM 900 CZ ARG A 59 -19.521 0.152 -12.846 1.00 0.00 C ATOM 901 NH1 ARG A 59 -19.934 1.044 -11.954 1.00 0.00 N ATOM 902 NH2 ARG A 59 -19.832 0.311 -14.124 1.00 0.00 N ATOM 0 H ARG A 59 -16.803 -2.484 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.640 -0.478 -7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.782 -3.166 -9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.210 -2.572 -8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.410 -1.905 -10.784 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.042 -0.455 -9.873 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.845 -0.326 -10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.764 -2.039 -11.049 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.464 -1.536 -13.187 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.689 0.933 -10.970 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.497 1.841 -12.252 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.508 -0.365 -14.816 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.395 1.110 -14.416 1.00 0.00 H new ATOM 916 N VAL A 60 -19.927 -2.248 -6.217 1.00 0.00 N ATOM 917 CA VAL A 60 -20.306 -2.767 -4.910 1.00 0.00 C ATOM 918 C VAL A 60 -19.979 -4.253 -4.770 1.00 0.00 C ATOM 919 O VAL A 60 -19.891 -4.771 -3.657 1.00 0.00 O ATOM 920 CB VAL A 60 -21.809 -2.562 -4.640 1.00 0.00 C ATOM 921 CG1 VAL A 60 -22.128 -1.085 -4.463 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.638 -3.163 -5.766 1.00 0.00 C ATOM 0 H VAL A 60 -20.715 -2.015 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.724 -2.206 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 60 -22.065 -3.076 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -23.194 -0.963 -4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -21.562 -0.689 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.856 -0.543 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.697 -3.010 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -22.378 -2.679 -6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.433 -4.231 -5.838 1.00 0.00 H new ATOM 932 N ASN A 61 -19.806 -4.939 -5.896 1.00 0.00 N ATOM 933 CA ASN A 61 -19.497 -6.366 -5.871 1.00 0.00 C ATOM 934 C ASN A 61 -18.439 -6.720 -6.913 1.00 0.00 C ATOM 935 O ASN A 61 -18.720 -7.411 -7.893 1.00 0.00 O ATOM 936 CB ASN A 61 -20.767 -7.186 -6.107 1.00 0.00 C ATOM 937 CG ASN A 61 -20.947 -8.278 -5.072 1.00 0.00 C ATOM 938 OD1 ASN A 61 -20.682 -9.451 -5.337 1.00 0.00 O ATOM 939 ND2 ASN A 61 -21.402 -7.899 -3.883 1.00 0.00 N ATOM 0 H ASN A 61 -19.874 -4.535 -6.830 1.00 0.00 H new ATOM 0 HA ASN A 61 -19.095 -6.607 -4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -21.633 -6.524 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.729 -7.633 -7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.544 -8.591 -3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -21.609 -6.916 -3.706 1.00 0.00 H new ATOM 946 N GLU A 62 -17.219 -6.243 -6.688 1.00 0.00 N ATOM 947 CA GLU A 62 -16.106 -6.501 -7.598 1.00 0.00 C ATOM 948 C GLU A 62 -14.783 -6.610 -6.838 1.00 0.00 C ATOM 949 O GLU A 62 -13.896 -7.362 -7.229 1.00 0.00 O ATOM 950 CB GLU A 62 -15.999 -5.386 -8.642 1.00 0.00 C ATOM 951 CG GLU A 62 -17.104 -5.404 -9.684 1.00 0.00 C ATOM 952 CD GLU A 62 -16.658 -6.009 -11.001 1.00 0.00 C ATOM 953 OE1 GLU A 62 -15.449 -5.940 -11.307 1.00 0.00 O ATOM 954 OE2 GLU A 62 -17.518 -6.547 -11.729 1.00 0.00 O ATOM 0 H GLU A 62 -16.974 -5.672 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.303 -7.450 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.011 -4.423 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.037 -5.467 -9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.952 -5.969 -9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.452 -4.385 -9.856 1.00 0.00 H new ATOM 961 N ILE A 63 -14.654 -5.850 -5.757 1.00 0.00 N ATOM 962 CA ILE A 63 -13.433 -5.860 -4.958 1.00 0.00 C ATOM 963 C ILE A 63 -13.121 -7.257 -4.427 1.00 0.00 C ATOM 964 O ILE A 63 -11.958 -7.627 -4.268 1.00 0.00 O ATOM 965 CB ILE A 63 -13.521 -4.884 -3.767 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.284 -3.613 -4.153 1.00 0.00 C ATOM 967 CG2 ILE A 63 -12.125 -4.538 -3.287 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.666 -3.529 -3.540 1.00 0.00 C ATOM 0 H ILE A 63 -15.378 -5.220 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.631 -5.540 -5.624 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.069 -5.369 -2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.705 -2.743 -3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.373 -3.568 -5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.190 -3.848 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.613 -5.447 -2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.567 -4.069 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.148 -2.604 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.262 -4.380 -3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.583 -3.542 -2.453 1.00 0.00 H new ATOM 980 N GLU A 64 -14.167 -8.026 -4.148 1.00 0.00 N ATOM 981 CA GLU A 64 -14.007 -9.378 -3.626 1.00 0.00 C ATOM 982 C GLU A 64 -13.339 -10.296 -4.648 1.00 0.00 C ATOM 983 O GLU A 64 -12.469 -11.095 -4.303 1.00 0.00 O ATOM 984 CB GLU A 64 -15.369 -9.948 -3.226 1.00 0.00 C ATOM 985 CG GLU A 64 -15.298 -11.349 -2.644 1.00 0.00 C ATOM 986 CD GLU A 64 -16.647 -12.041 -2.631 1.00 0.00 C ATOM 987 OE1 GLU A 64 -17.427 -11.837 -3.585 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.925 -12.784 -1.666 1.00 0.00 O ATOM 0 H GLU A 64 -15.137 -7.736 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.362 -9.325 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.830 -9.284 -2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.019 -9.960 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.593 -11.945 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.910 -11.297 -1.627 1.00 0.00 H new ATOM 995 N THR A 65 -13.754 -10.180 -5.903 1.00 0.00 N ATOM 996 CA THR A 65 -13.198 -11.003 -6.973 1.00 0.00 C ATOM 997 C THR A 65 -11.817 -10.504 -7.385 1.00 0.00 C ATOM 998 O THR A 65 -10.929 -11.295 -7.702 1.00 0.00 O ATOM 999 CB THR A 65 -14.132 -11.000 -8.185 1.00 0.00 C ATOM 1000 OG1 THR A 65 -15.112 -9.984 -8.060 1.00 0.00 O ATOM 1001 CG2 THR A 65 -14.855 -12.313 -8.389 1.00 0.00 C ATOM 0 H THR A 65 -14.474 -9.524 -6.206 1.00 0.00 H new ATOM 0 HA THR A 65 -13.100 -12.022 -6.597 1.00 0.00 H new ATOM 0 HB THR A 65 -13.487 -10.823 -9.045 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.698 -9.997 -8.845 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.500 -12.241 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.127 -13.110 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.460 -12.535 -7.510 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.649 -9.189 -7.377 1.00 0.00 N ATOM 1010 CA TYR A 66 -10.383 -8.569 -7.749 1.00 0.00 C ATOM 1011 C TYR A 66 -9.466 -8.425 -6.531 1.00 0.00 C ATOM 1012 O TYR A 66 -8.468 -7.705 -6.576 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.625 -7.201 -8.394 1.00 0.00 C ATOM 1014 CG TYR A 66 -11.429 -7.255 -9.680 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -12.688 -7.844 -9.718 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -10.931 -6.704 -10.855 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -13.425 -7.885 -10.884 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -11.663 -6.742 -12.028 1.00 0.00 C ATOM 1019 CZ TYR A 66 -12.908 -7.333 -12.035 1.00 0.00 C ATOM 1020 OH TYR A 66 -13.639 -7.369 -13.200 1.00 0.00 O ATOM 0 H TYR A 66 -12.379 -8.526 -7.115 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.890 -9.217 -8.474 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.144 -6.562 -7.680 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.662 -6.733 -8.600 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -13.097 -8.278 -8.818 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.956 -6.239 -10.852 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -14.401 -8.347 -10.894 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.261 -6.311 -12.933 1.00 0.00 H new ATOM 0 HH TYR A 66 -14.503 -6.930 -13.057 1.00 0.00 H new ATOM 1030 N MET A 67 -9.812 -9.111 -5.441 1.00 0.00 N ATOM 1031 CA MET A 67 -9.027 -9.060 -4.210 1.00 0.00 C ATOM 1032 C MET A 67 -7.717 -9.850 -4.343 1.00 0.00 C ATOM 1033 O MET A 67 -7.365 -10.637 -3.464 1.00 0.00 O ATOM 1034 CB MET A 67 -9.863 -9.615 -3.049 1.00 0.00 C ATOM 1035 CG MET A 67 -10.098 -8.615 -1.933 1.00 0.00 C ATOM 1036 SD MET A 67 -8.557 -7.975 -1.261 1.00 0.00 S ATOM 1037 CE MET A 67 -8.672 -8.502 0.445 1.00 0.00 C ATOM 0 H MET A 67 -10.635 -9.711 -5.387 1.00 0.00 H new ATOM 0 HA MET A 67 -8.766 -8.020 -4.013 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.826 -9.949 -3.434 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.362 -10.492 -2.639 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.700 -7.788 -2.309 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.671 -9.090 -1.136 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.694 -8.419 0.918 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.386 -7.870 0.974 1.00 0.00 H new ATOM 0 HE3 MET A 67 -9.007 -9.539 0.484 1.00 0.00 H new ATOM 1047 N ASP A 68 -7.005 -9.642 -5.448 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.747 -10.339 -5.695 1.00 0.00 C ATOM 1049 C ASP A 68 -4.664 -9.913 -4.706 1.00 0.00 C ATOM 1050 O ASP A 68 -3.884 -10.739 -4.231 1.00 0.00 O ATOM 1051 CB ASP A 68 -5.277 -10.073 -7.125 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.503 -11.238 -7.709 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -3.311 -11.390 -7.368 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -5.090 -11.999 -8.507 1.00 0.00 O ATOM 0 H ASP A 68 -7.279 -8.995 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.924 -11.406 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.142 -9.863 -7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.650 -9.182 -7.138 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.620 -8.623 -4.401 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.626 -8.111 -3.472 1.00 0.00 C ATOM 1061 C GLY A 69 -3.954 -6.709 -3.005 1.00 0.00 C ATOM 1062 O GLY A 69 -3.286 -5.748 -3.377 1.00 0.00 O ATOM 0 H GLY A 69 -5.254 -7.920 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.561 -8.774 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.647 -8.114 -3.951 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.997 -6.595 -2.199 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.434 -5.307 -1.690 1.00 0.00 C ATOM 1068 C VAL A 70 -5.017 -5.100 -0.244 1.00 0.00 C ATOM 1069 O VAL A 70 -5.235 -5.958 0.610 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.955 -5.165 -1.775 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.381 -3.774 -1.354 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.449 -5.496 -3.175 1.00 0.00 C ATOM 0 H VAL A 70 -5.559 -7.385 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.955 -4.554 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.410 -5.878 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.466 -3.690 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.065 -3.592 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.919 -3.037 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.533 -5.389 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.991 -4.815 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.177 -6.522 -3.424 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.421 -3.949 0.022 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.981 -3.620 1.365 1.00 0.00 C ATOM 1084 C HIS A 71 -5.065 -2.864 2.132 1.00 0.00 C ATOM 1085 O HIS A 71 -5.082 -2.881 3.361 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.702 -2.785 1.314 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.821 -2.978 2.508 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -2.310 -3.271 3.762 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.474 -2.918 2.637 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -1.305 -3.381 4.612 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -0.179 -3.172 3.955 1.00 0.00 N ATOM 0 H HIS A 71 -4.232 -3.228 -0.675 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.779 -4.554 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.144 -3.043 0.414 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.968 -1.731 1.234 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -3.296 -3.385 3.998 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.236 -2.709 1.850 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.390 -3.604 5.665 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.978 -2.214 1.404 1.00 0.00 N ATOM 1101 CA LEU A 72 -7.070 -1.460 2.025 1.00 0.00 C ATOM 1102 C LEU A 72 -8.209 -1.211 1.025 1.00 0.00 C ATOM 1103 O LEU A 72 -7.969 -0.918 -0.141 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.552 -0.116 2.554 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.885 -0.158 3.933 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.626 0.698 3.945 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -6.855 0.305 5.012 1.00 0.00 C ATOM 0 H LEU A 72 -5.982 -2.195 0.384 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.457 -2.054 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.836 0.285 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.387 0.583 2.596 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.602 -1.189 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.167 0.656 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.923 0.322 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.886 1.730 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.363 0.268 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.170 1.327 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.727 -0.349 5.022 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.451 -1.319 1.493 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.614 -1.089 0.629 1.00 0.00 C ATOM 1121 C ILE A 73 -11.558 -0.055 1.239 1.00 0.00 C ATOM 1122 O ILE A 73 -11.705 0.024 2.458 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.392 -2.390 0.307 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -12.448 -2.691 1.369 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -10.440 -3.562 0.163 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -13.847 -2.288 0.956 1.00 0.00 C ATOM 0 H ILE A 73 -9.680 -1.562 2.457 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.220 -0.704 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.907 -2.237 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -12.436 -3.758 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.185 -2.171 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.007 -4.465 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.737 -3.363 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.891 -3.701 1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.547 -2.530 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.874 -1.216 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -14.129 -2.828 0.052 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.203 0.730 0.382 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.137 1.752 0.838 1.00 0.00 C ATOM 1140 C CYS A 74 -14.505 1.562 0.188 1.00 0.00 C ATOM 1141 O CYS A 74 -14.691 1.874 -0.988 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.597 3.146 0.516 1.00 0.00 C ATOM 1143 SG CYS A 74 -13.533 4.495 1.275 1.00 0.00 S ATOM 0 H CYS A 74 -12.096 0.678 -0.631 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.248 1.654 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -11.560 3.207 0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.596 3.283 -0.565 1.00 0.00 H new ATOM 0 HG CYS A 74 -12.998 5.633 0.946 1.00 0.00 H new ATOM 1149 N THR A 75 -15.460 1.050 0.961 1.00 0.00 N ATOM 1150 CA THR A 75 -16.811 0.822 0.461 1.00 0.00 C ATOM 1151 C THR A 75 -17.845 1.146 1.533 1.00 0.00 C ATOM 1152 O THR A 75 -17.545 1.117 2.726 1.00 0.00 O ATOM 1153 CB THR A 75 -16.976 -0.630 0.012 1.00 0.00 C ATOM 1154 OG1 THR A 75 -15.808 -1.091 -0.642 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.143 -0.834 -0.929 1.00 0.00 C ATOM 0 H THR A 75 -15.322 0.785 1.936 1.00 0.00 H new ATOM 0 HA THR A 75 -16.970 1.481 -0.393 1.00 0.00 H new ATOM 0 HB THR A 75 -17.163 -1.195 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.934 -2.022 -0.920 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.205 -1.885 -1.210 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.067 -0.536 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.000 -0.228 -1.823 1.00 0.00 H new ATOM 1163 N THR A 76 -19.066 1.449 1.101 1.00 0.00 N ATOM 1164 CA THR A 76 -20.143 1.770 2.028 1.00 0.00 C ATOM 1165 C THR A 76 -20.758 0.492 2.592 1.00 0.00 C ATOM 1166 O THR A 76 -21.893 0.139 2.271 1.00 0.00 O ATOM 1167 CB THR A 76 -21.216 2.615 1.332 1.00 0.00 C ATOM 1168 OG1 THR A 76 -20.735 3.128 0.101 1.00 0.00 O ATOM 1169 CG2 THR A 76 -21.682 3.790 2.164 1.00 0.00 C ATOM 0 H THR A 76 -19.332 1.479 0.117 1.00 0.00 H new ATOM 0 HA THR A 76 -19.727 2.349 2.852 1.00 0.00 H new ATOM 0 HB THR A 76 -22.057 1.940 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 76 -21.436 3.662 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 76 -22.441 4.347 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.105 3.427 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.836 4.443 2.377 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.648 -12.608 6.752 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.277 -12.808 7.194 1.00 0.00 C ATOM 1296 C GLY A 84 -10.726 -11.630 7.979 1.00 0.00 C ATOM 1297 O GLY A 84 -10.877 -11.564 9.201 1.00 0.00 O ATOM 0 HA2 GLY A 84 -11.228 -13.704 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.644 -12.986 6.325 1.00 0.00 H new ATOM 1301 N ASP A 85 -10.086 -10.699 7.278 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.506 -9.522 7.911 1.00 0.00 C ATOM 1303 C ASP A 85 -9.408 -8.379 6.913 1.00 0.00 C ATOM 1304 O ASP A 85 -8.539 -7.516 7.028 1.00 0.00 O ATOM 1305 CB ASP A 85 -8.116 -9.847 8.470 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.895 -9.275 9.858 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -8.877 -8.813 10.475 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -6.738 -9.288 10.327 1.00 0.00 O ATOM 0 H ASP A 85 -9.956 -10.739 6.267 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.154 -9.218 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.986 -10.929 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.356 -9.454 7.794 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.303 -8.383 5.930 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.318 -7.350 4.907 1.00 0.00 C ATOM 1315 C ILE A 86 -10.479 -5.965 5.531 1.00 0.00 C ATOM 1316 O ILE A 86 -11.558 -5.602 5.998 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.452 -7.595 3.889 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.361 -6.595 2.734 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.804 -7.508 4.570 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -12.108 -7.035 1.494 1.00 0.00 C ATOM 0 H ILE A 86 -11.028 -9.093 5.823 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.362 -7.393 4.386 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.339 -8.599 3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.755 -5.634 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.312 -6.439 2.481 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.592 -7.683 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.865 -8.261 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.928 -6.517 5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.000 -6.279 0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.699 -7.981 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.164 -7.163 1.732 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.399 -5.169 5.561 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.430 -3.822 6.139 1.00 0.00 C ATOM 1334 C PRO A 87 -10.278 -2.855 5.316 1.00 0.00 C ATOM 1335 O PRO A 87 -9.748 -2.075 4.526 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.959 -3.394 6.111 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.359 -4.193 5.006 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.063 -5.519 5.044 1.00 0.00 C ATOM 0 HA PRO A 87 -9.875 -3.816 7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.860 -2.324 5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.468 -3.600 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.500 -3.701 4.044 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.285 -4.314 5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.119 -5.975 4.055 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.552 -6.229 5.694 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.597 -2.903 5.503 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.495 -2.015 4.766 1.00 0.00 C ATOM 1348 C LEU A 88 -12.909 -0.820 5.621 1.00 0.00 C ATOM 1349 O LEU A 88 -12.921 -0.894 6.850 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.747 -2.757 4.268 1.00 0.00 C ATOM 1351 CG LEU A 88 -13.695 -4.287 4.325 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -14.395 -4.808 5.574 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -14.330 -4.891 3.081 1.00 0.00 C ATOM 0 H LEU A 88 -12.063 -3.539 6.150 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.943 -1.655 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.601 -2.421 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.934 -2.459 3.236 1.00 0.00 H new ATOM 0 HG LEU A 88 -12.648 -4.586 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -14.345 -5.897 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.903 -4.407 6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.438 -4.493 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.283 -5.978 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.371 -4.576 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.791 -4.552 2.196 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.242 0.282 4.954 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.656 1.503 5.640 1.00 0.00 C ATOM 1367 C VAL A 89 -14.818 2.176 4.913 1.00 0.00 C ATOM 1368 O VAL A 89 -14.887 2.158 3.685 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.490 2.507 5.754 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -11.563 2.123 6.898 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.720 2.592 4.444 1.00 0.00 C ATOM 0 H VAL A 89 -13.233 0.355 3.937 1.00 0.00 H new ATOM 0 HA VAL A 89 -13.975 1.210 6.640 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.908 3.491 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.747 2.843 6.962 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.121 2.123 7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.156 1.128 6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.903 3.306 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.315 1.611 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.390 2.920 3.649 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.727 2.774 5.680 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.883 3.454 5.102 1.00 0.00 C ATOM 1383 C HIS A 90 -16.517 4.870 4.666 1.00 0.00 C ATOM 1384 O HIS A 90 -15.668 5.518 5.278 1.00 0.00 O ATOM 1385 CB HIS A 90 -18.036 3.511 6.108 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.206 2.263 6.918 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -18.099 2.239 8.291 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.492 0.995 6.544 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -18.314 1.012 8.729 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -18.556 0.236 7.689 1.00 0.00 N ATOM 0 H HIS A 90 -15.686 2.801 6.699 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.200 2.885 4.228 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.872 4.350 6.784 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.963 3.711 5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.642 0.644 5.534 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -18.295 0.697 9.762 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -18.758 -0.763 7.728 1.00 0.00 H new ATOM 1399 N GLY A 91 -17.166 5.345 3.607 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.895 6.684 3.113 1.00 0.00 C ATOM 1401 C GLY A 91 -18.151 7.529 3.003 1.00 0.00 C ATOM 1402 O GLY A 91 -18.217 8.452 2.190 1.00 0.00 O ATOM 0 H GLY A 91 -17.873 4.829 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.187 7.177 3.779 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.419 6.617 2.135 1.00 0.00 H new ATOM 1406 N MET A 92 -19.147 7.217 3.826 1.00 0.00 N ATOM 1407 CA MET A 92 -20.409 7.953 3.828 1.00 0.00 C ATOM 1408 C MET A 92 -20.180 9.460 3.958 1.00 0.00 C ATOM 1409 O MET A 92 -20.735 10.246 3.190 1.00 0.00 O ATOM 1410 CB MET A 92 -21.299 7.466 4.972 1.00 0.00 C ATOM 1411 CG MET A 92 -22.780 7.436 4.626 1.00 0.00 C ATOM 1412 SD MET A 92 -23.776 6.632 5.897 1.00 0.00 S ATOM 1413 CE MET A 92 -23.287 7.551 7.356 1.00 0.00 C ATOM 0 H MET A 92 -19.105 6.456 4.504 1.00 0.00 H new ATOM 0 HA MET A 92 -20.903 7.766 2.875 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.983 6.465 5.265 1.00 0.00 H new ATOM 0 HB3 MET A 92 -21.150 8.113 5.837 1.00 0.00 H new ATOM 0 HG2 MET A 92 -23.136 8.456 4.483 1.00 0.00 H new ATOM 0 HG3 MET A 92 -22.917 6.914 3.679 1.00 0.00 H new ATOM 0 HE1 MET A 92 -23.986 7.346 8.167 1.00 0.00 H new ATOM 0 HE2 MET A 92 -22.284 7.249 7.657 1.00 0.00 H new ATOM 0 HE3 MET A 92 -23.293 8.618 7.133 1.00 0.00 H new ATOM 1423 N PRO A 93 -19.365 9.889 4.940 1.00 0.00 N ATOM 1424 CA PRO A 93 -19.080 11.312 5.166 1.00 0.00 C ATOM 1425 C PRO A 93 -18.157 11.908 4.103 1.00 0.00 C ATOM 1426 O PRO A 93 -18.237 13.096 3.795 1.00 0.00 O ATOM 1427 CB PRO A 93 -18.396 11.314 6.531 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.737 9.983 6.609 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.665 9.027 5.914 1.00 0.00 C ATOM 0 HA PRO A 93 -19.983 11.920 5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.670 12.123 6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -19.116 11.450 7.338 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.760 10.001 6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.575 9.687 7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -18.120 8.222 5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -19.360 8.560 6.612 1.00 0.00 H new ATOM 1437 N PHE A 94 -17.280 11.080 3.546 1.00 0.00 N ATOM 1438 CA PHE A 94 -16.348 11.539 2.518 1.00 0.00 C ATOM 1439 C PHE A 94 -17.109 12.030 1.290 1.00 0.00 C ATOM 1440 O PHE A 94 -16.700 12.986 0.632 1.00 0.00 O ATOM 1441 CB PHE A 94 -15.385 10.409 2.130 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.924 10.751 2.290 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.502 11.664 3.247 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.970 10.154 1.478 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -12.162 11.973 3.388 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.628 10.461 1.617 1.00 0.00 C ATOM 1447 CZ PHE A 94 -11.226 11.373 2.573 1.00 0.00 C ATOM 0 H PHE A 94 -17.194 10.092 3.786 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.768 12.369 2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -15.609 9.533 2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.569 10.132 1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -14.229 12.139 3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.279 9.441 0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.848 12.685 4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.896 9.988 0.979 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.179 11.616 2.682 1.00 0.00 H new ATOM 1457 N VAL A 95 -18.224 11.368 0.994 1.00 0.00 N ATOM 1458 CA VAL A 95 -19.053 11.731 -0.149 1.00 0.00 C ATOM 1459 C VAL A 95 -19.861 12.996 0.129 1.00 0.00 C ATOM 1460 O VAL A 95 -20.359 13.641 -0.794 1.00 0.00 O ATOM 1461 CB VAL A 95 -20.018 10.587 -0.517 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.885 10.970 -1.708 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -19.243 9.309 -0.799 1.00 0.00 C ATOM 0 H VAL A 95 -18.574 10.575 1.532 1.00 0.00 H new ATOM 0 HA VAL A 95 -18.379 11.918 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.677 10.408 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.557 10.146 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.470 11.856 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.249 11.182 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.939 8.511 -1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.557 9.475 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.677 9.024 0.088 1.00 0.00 H new ATOM 1473 N SER A 96 -19.993 13.345 1.404 1.00 0.00 N ATOM 1474 CA SER A 96 -20.747 14.529 1.797 1.00 0.00 C ATOM 1475 C SER A 96 -20.133 15.793 1.200 1.00 0.00 C ATOM 1476 O SER A 96 -20.846 16.728 0.835 1.00 0.00 O ATOM 1477 CB SER A 96 -20.803 14.638 3.323 1.00 0.00 C ATOM 1478 OG SER A 96 -22.143 14.644 3.785 1.00 0.00 O ATOM 0 H SER A 96 -19.588 12.825 2.182 1.00 0.00 H new ATOM 0 HA SER A 96 -21.761 14.429 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.264 13.803 3.770 1.00 0.00 H new ATOM 0 HB3 SER A 96 -20.300 15.550 3.644 1.00 0.00 H new ATOM 0 HG SER A 96 -22.152 14.713 4.763 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.807 15.817 1.103 1.00 0.00 N ATOM 1485 CA GLY A 97 -18.124 16.972 0.548 1.00 0.00 C ATOM 1486 C GLY A 97 -17.981 18.114 1.541 1.00 0.00 C ATOM 1487 O GLY A 97 -17.327 19.114 1.251 1.00 0.00 O ATOM 0 H GLY A 97 -18.194 15.058 1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -17.134 16.671 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.671 17.325 -0.326 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.592 17.966 2.714 1.00 0.00 N ATOM 1492 CA VAL A 98 -18.523 18.994 3.747 1.00 0.00 C ATOM 1493 C VAL A 98 -17.703 18.522 4.946 1.00 0.00 C ATOM 1494 O VAL A 98 -17.426 19.295 5.864 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.932 19.401 4.226 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -20.639 18.227 4.885 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -19.851 20.585 5.177 1.00 0.00 C ATOM 0 H VAL A 98 -19.140 17.145 2.972 1.00 0.00 H new ATOM 0 HA VAL A 98 -18.034 19.859 3.300 1.00 0.00 H new ATOM 0 HB VAL A 98 -20.516 19.700 3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -21.630 18.538 5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -20.734 17.411 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -20.060 17.890 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.854 20.858 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.247 20.315 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.393 21.432 4.666 1.00 0.00 H new ATOM 1507 N GLY A 99 -17.315 17.250 4.933 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.530 16.705 6.023 1.00 0.00 C ATOM 1509 C GLY A 99 -15.300 15.960 5.543 1.00 0.00 C ATOM 1510 O GLY A 99 -14.660 15.247 6.316 1.00 0.00 O ATOM 0 H GLY A 99 -17.531 16.589 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.224 17.515 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.152 16.030 6.611 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.963 16.123 4.265 1.00 0.00 N ATOM 1515 CA ILE A 100 -13.799 15.457 3.700 1.00 0.00 C ATOM 1516 C ILE A 100 -12.519 15.950 4.362 1.00 0.00 C ATOM 1517 O ILE A 100 -11.628 15.164 4.663 1.00 0.00 O ATOM 1518 CB ILE A 100 -13.699 15.664 2.170 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -13.449 17.136 1.832 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -14.962 15.166 1.485 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -13.094 17.371 0.380 1.00 0.00 C ATOM 0 H ILE A 100 -15.478 16.708 3.607 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.921 14.391 3.893 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.852 15.085 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.340 17.713 2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.642 17.513 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.877 15.318 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.093 14.104 1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -15.823 15.718 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.931 18.436 0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.185 16.822 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.910 17.025 -0.255 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.436 17.257 4.588 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.261 17.854 5.213 1.00 0.00 C ATOM 1535 C GLU A 101 -10.970 17.210 6.565 1.00 0.00 C ATOM 1536 O GLU A 101 -9.838 16.817 6.845 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.454 19.363 5.386 1.00 0.00 C ATOM 1538 CG GLU A 101 -12.780 19.742 6.025 1.00 0.00 C ATOM 1539 CD GLU A 101 -13.400 20.972 5.391 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.942 22.093 5.696 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -14.343 20.814 4.588 1.00 0.00 O ATOM 0 H GLU A 101 -13.169 17.924 4.347 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.409 17.677 4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.641 19.756 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.381 19.844 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.473 18.905 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.628 19.923 7.089 1.00 0.00 H new ATOM 1548 N ALA A 102 -12.000 17.105 7.398 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.851 16.507 8.719 1.00 0.00 C ATOM 1550 C ALA A 102 -11.487 15.032 8.614 1.00 0.00 C ATOM 1551 O ALA A 102 -10.567 14.561 9.281 1.00 0.00 O ATOM 1552 CB ALA A 102 -13.129 16.681 9.526 1.00 0.00 C ATOM 0 H ALA A 102 -12.944 17.425 7.182 1.00 0.00 H new ATOM 0 HA ALA A 102 -11.038 17.020 9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -13.002 16.229 10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.346 17.743 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.956 16.195 9.008 1.00 0.00 H new ATOM 1558 N LEU A 103 -12.214 14.305 7.770 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.959 12.884 7.582 1.00 0.00 C ATOM 1560 C LEU A 103 -10.595 12.659 6.941 1.00 0.00 C ATOM 1561 O LEU A 103 -9.861 11.751 7.329 1.00 0.00 O ATOM 1562 CB LEU A 103 -13.055 12.253 6.725 1.00 0.00 C ATOM 1563 CG LEU A 103 -13.178 10.734 6.854 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -14.598 10.292 6.548 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -12.188 10.032 5.934 1.00 0.00 C ATOM 0 H LEU A 103 -12.981 14.676 7.209 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.962 12.407 8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -14.010 12.704 6.992 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.867 12.500 5.680 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.942 10.456 7.881 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -14.670 9.209 6.644 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -15.285 10.765 7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.859 10.585 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.293 8.952 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.389 10.314 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.173 10.326 6.200 1.00 0.00 H new ATOM 1577 N GLN A 104 -10.250 13.498 5.966 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.962 13.386 5.290 1.00 0.00 C ATOM 1579 C GLN A 104 -7.826 13.471 6.308 1.00 0.00 C ATOM 1580 O GLN A 104 -6.923 12.637 6.318 1.00 0.00 O ATOM 1581 CB GLN A 104 -8.805 14.483 4.231 1.00 0.00 C ATOM 1582 CG GLN A 104 -8.093 14.020 2.968 1.00 0.00 C ATOM 1583 CD GLN A 104 -8.687 14.625 1.709 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -8.373 15.759 1.345 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -9.550 13.871 1.036 1.00 0.00 N ATOM 0 H GLN A 104 -10.841 14.258 5.629 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.920 12.419 4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -9.792 14.860 3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.252 15.317 4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.038 14.286 3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -8.144 12.933 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -9.782 12.937 1.373 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -9.980 14.227 0.182 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.869 14.491 7.160 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.836 14.676 8.171 1.00 0.00 C ATOM 1596 C ASN A 105 -6.743 13.472 9.102 1.00 0.00 C ATOM 1597 O ASN A 105 -5.654 13.097 9.533 1.00 0.00 O ATOM 1598 CB ASN A 105 -7.096 15.938 8.992 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.943 16.251 9.925 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -6.092 16.229 11.146 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -4.780 16.538 9.348 1.00 0.00 N ATOM 0 H ASN A 105 -8.604 15.198 7.170 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.887 14.781 7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.259 16.781 8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.010 15.812 9.573 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -3.965 16.752 9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.703 16.544 8.331 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.883 12.869 9.420 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.900 11.712 10.307 1.00 0.00 C ATOM 1610 C LYS A 106 -7.341 10.477 9.608 1.00 0.00 C ATOM 1611 O LYS A 106 -6.601 9.699 10.208 1.00 0.00 O ATOM 1612 CB LYS A 106 -9.319 11.436 10.815 1.00 0.00 C ATOM 1613 CG LYS A 106 -9.431 11.448 12.334 1.00 0.00 C ATOM 1614 CD LYS A 106 -9.469 10.039 12.905 1.00 0.00 C ATOM 1615 CE LYS A 106 -8.812 9.974 14.276 1.00 0.00 C ATOM 1616 NZ LYS A 106 -9.676 9.285 15.276 1.00 0.00 N ATOM 0 H LYS A 106 -8.800 13.159 9.080 1.00 0.00 H new ATOM 0 HA LYS A 106 -7.263 11.940 11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.996 12.184 10.402 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.648 10.466 10.441 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.585 11.990 12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.333 11.985 12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.503 9.704 12.980 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.961 9.356 12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.860 9.450 14.197 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.592 10.984 14.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.192 9.262 16.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.575 9.799 15.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.865 8.312 14.960 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.698 10.296 8.340 1.00 0.00 N ATOM 1631 CA ILE A 107 -7.228 9.144 7.580 1.00 0.00 C ATOM 1632 C ILE A 107 -5.709 9.173 7.394 1.00 0.00 C ATOM 1633 O ILE A 107 -5.058 8.130 7.434 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.936 9.033 6.204 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.979 7.572 5.746 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -7.258 9.898 5.148 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -8.843 6.685 6.616 1.00 0.00 C ATOM 0 H ILE A 107 -8.307 10.928 7.820 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.484 8.260 8.164 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.955 9.400 6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.350 7.533 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -6.964 7.175 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.784 9.792 4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -7.282 10.941 5.462 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.223 9.580 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -8.824 5.666 6.229 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -8.461 6.693 7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.868 7.056 6.610 1.00 0.00 H new ATOM 1649 N LEU A 108 -5.144 10.364 7.195 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.699 10.486 7.010 1.00 0.00 C ATOM 1651 C LEU A 108 -2.963 10.281 8.330 1.00 0.00 C ATOM 1652 O LEU A 108 -1.906 9.656 8.367 1.00 0.00 O ATOM 1653 CB LEU A 108 -3.325 11.844 6.390 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.374 13.056 7.328 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -2.089 13.173 8.136 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -3.606 14.328 6.527 1.00 0.00 C ATOM 0 H LEU A 108 -5.656 11.245 7.158 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.390 9.704 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.317 11.768 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.995 12.033 5.551 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.202 12.916 8.023 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.150 14.041 8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.953 12.273 8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.243 13.289 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.639 15.183 7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.794 14.461 5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.552 14.253 5.991 1.00 0.00 H new ATOM 1668 N THR A 109 -3.527 10.810 9.412 1.00 0.00 N ATOM 1669 CA THR A 109 -2.914 10.682 10.732 1.00 0.00 C ATOM 1670 C THR A 109 -2.728 9.217 11.112 1.00 0.00 C ATOM 1671 O THR A 109 -1.707 8.840 11.688 1.00 0.00 O ATOM 1672 CB THR A 109 -3.765 11.390 11.787 1.00 0.00 C ATOM 1673 OG1 THR A 109 -4.095 12.705 11.372 1.00 0.00 O ATOM 1674 CG2 THR A 109 -3.083 11.493 13.135 1.00 0.00 C ATOM 0 H THR A 109 -4.405 11.330 9.402 1.00 0.00 H new ATOM 0 HA THR A 109 -1.932 11.154 10.691 1.00 0.00 H new ATOM 0 HB THR A 109 -4.659 10.775 11.894 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.936 12.688 10.869 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.741 12.006 13.837 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.862 10.493 13.508 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.155 12.055 13.031 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.719 8.393 10.788 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.661 6.970 11.099 1.00 0.00 C ATOM 1684 C ILE A 110 -2.640 6.259 10.217 1.00 0.00 C ATOM 1685 O ILE A 110 -1.871 5.424 10.692 1.00 0.00 O ATOM 1686 CB ILE A 110 -5.037 6.297 10.923 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -6.094 7.033 11.750 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.971 4.828 11.325 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -7.513 6.628 11.413 1.00 0.00 C ATOM 0 H ILE A 110 -4.571 8.686 10.310 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.358 6.885 12.143 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.318 6.350 9.871 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.912 6.845 12.808 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -5.984 8.106 11.594 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.952 4.370 11.194 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.243 4.312 10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.671 4.750 12.370 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.209 7.189 12.037 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.713 6.842 10.363 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.640 5.561 11.596 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.638 6.596 8.932 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.711 5.990 7.985 1.00 0.00 C ATOM 1703 C LEU A 111 -0.264 6.221 8.414 1.00 0.00 C ATOM 1704 O LEU A 111 0.590 5.350 8.245 1.00 0.00 O ATOM 1705 CB LEU A 111 -1.941 6.557 6.583 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.119 5.942 5.823 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -3.295 6.616 4.472 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -2.918 4.444 5.653 1.00 0.00 C ATOM 0 H LEU A 111 -3.268 7.286 8.523 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.896 4.916 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.101 7.632 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.034 6.413 5.996 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.026 6.103 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.137 6.165 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.486 7.679 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.388 6.488 3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.764 4.023 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.001 4.261 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.844 3.973 6.633 1.00 0.00 H new ATOM 1720 N GLN A 112 0.004 7.397 8.974 1.00 0.00 N ATOM 1721 CA GLN A 112 1.347 7.737 9.430 1.00 0.00 C ATOM 1722 C GLN A 112 1.586 7.255 10.860 1.00 0.00 C ATOM 1723 O GLN A 112 2.636 7.521 11.444 1.00 0.00 O ATOM 1724 CB GLN A 112 1.566 9.249 9.352 1.00 0.00 C ATOM 1725 CG GLN A 112 0.622 10.047 10.237 1.00 0.00 C ATOM 1726 CD GLN A 112 1.010 11.509 10.340 1.00 0.00 C ATOM 1727 OE1 GLN A 112 1.796 12.013 9.539 1.00 0.00 O ATOM 1728 NE2 GLN A 112 0.456 12.197 11.331 1.00 0.00 N ATOM 0 H GLN A 112 -0.690 8.129 9.123 1.00 0.00 H new ATOM 0 HA GLN A 112 2.058 7.234 8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 112 2.594 9.474 9.636 1.00 0.00 H new ATOM 0 HB3 GLN A 112 1.443 9.573 8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -0.391 9.971 9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.608 9.608 11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -0.191 11.737 11.972 1.00 0.00 H new ATOM 0 HE22 GLN A 112 0.677 13.185 11.452 1.00 0.00 H new ATOM 1737 N GLY A 113 0.610 6.544 11.422 1.00 0.00 N ATOM 1738 CA GLY A 113 0.745 6.043 12.777 1.00 0.00 C ATOM 1739 C GLY A 113 1.425 4.690 12.831 1.00 0.00 C ATOM 1740 O GLY A 113 1.419 3.980 11.802 1.00 0.00 O ATOM 1741 OXT GLY A 113 1.964 4.338 13.901 1.00 0.00 O ATOM 0 H GLY A 113 -0.269 6.307 10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.317 6.757 13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -0.242 5.968 13.233 1.00 0.00 H new