USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 404 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 Single : A 65 TYR OH : rot -173:sc= 0.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -82:sc= -0.0512 USER MOD Single : A 77 SER OG : rot -69:sc= -0.471 USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00351) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.57! C(o=-1.6!,f=-5.2!) USER MOD Single : A 83 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.3) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 89 SER OG : rot -71:sc= 1.23 USER MOD Single : A 91 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.4!) USER MOD Single : A 92 LYS NZ :NH3+ -125:sc= 0.623 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-4.9!) USER MOD Single : A 95 TYR OH : rot 141:sc= 0.158 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -113:sc= -0.113 (180deg=-1.08) USER MOD Single : A 102 MET CE :methyl -155:sc= -0.249 (180deg=-1.25) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.276 K(o=0.28,f=-2.5!) USER MOD Single : A 109 GLN : amide:sc= -0.391 X(o=-0.39,f=0) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.568 27.404 20.538 1.00 15.00 N ATOM 386 CA LEU A 63 16.072 26.369 21.442 1.00 15.00 C ATOM 387 C LEU A 63 14.546 26.346 21.425 1.00 15.00 C ATOM 388 O LEU A 63 13.903 27.389 21.529 1.00 15.00 O ATOM 389 CB LEU A 63 16.566 26.640 22.865 1.00 15.00 C ATOM 390 CG LEU A 63 16.172 25.476 23.776 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.032 24.254 23.444 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.400 25.874 25.236 1.00 15.00 C ATOM 0 HA LEU A 63 16.447 25.401 21.109 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.649 26.766 22.867 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.136 27.569 23.239 1.00 15.00 H new ATOM 0 HG LEU A 63 15.120 25.234 23.622 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.751 23.424 24.093 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.874 23.970 22.404 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.083 24.496 23.599 1.00 15.00 H new ATOM 0 HD21 LEU A 63 16.120 25.046 25.887 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.452 26.115 25.387 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.791 26.746 25.475 1.00 15.00 H new ATOM 404 N PHE A 64 13.973 25.158 21.263 1.00 15.00 N ATOM 405 CA PHE A 64 12.521 25.022 21.234 1.00 15.00 C ATOM 406 C PHE A 64 11.981 24.630 22.607 1.00 15.00 C ATOM 407 O PHE A 64 12.489 23.706 23.241 1.00 15.00 O ATOM 408 CB PHE A 64 12.119 23.964 20.206 1.00 15.00 C ATOM 409 CG PHE A 64 12.492 24.331 18.789 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.638 25.137 18.026 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.692 23.866 18.239 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.986 25.477 16.713 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.040 24.207 16.926 1.00 15.00 C ATOM 414 CZ PHE A 64 13.186 25.013 16.163 1.00 15.00 C ATOM 0 H PHE A 64 14.486 24.283 21.151 1.00 15.00 H new ATOM 0 HA PHE A 64 12.094 25.986 20.956 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.594 23.018 20.465 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.042 23.806 20.261 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.712 25.496 18.450 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.350 23.244 18.827 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.327 26.098 16.124 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.966 23.849 16.502 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.454 25.276 15.150 1.00 15.00 H new ATOM 424 N TYR A 65 10.949 25.337 23.062 1.00 15.00 N ATOM 425 CA TYR A 65 10.296 25.008 24.326 1.00 15.00 C ATOM 426 C TYR A 65 8.820 24.709 24.078 1.00 15.00 C ATOM 427 O TYR A 65 8.193 25.338 23.227 1.00 15.00 O ATOM 428 CB TYR A 65 10.428 26.178 25.303 1.00 15.00 C ATOM 429 CG TYR A 65 10.056 25.821 26.722 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.008 25.228 27.561 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.766 26.080 27.200 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.670 24.895 28.878 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.428 25.747 28.518 1.00 15.00 C ATOM 434 CZ TYR A 65 9.381 25.153 29.357 1.00 15.00 C ATOM 435 OH TYR A 65 9.052 24.823 30.656 1.00 15.00 O ATOM 0 H TYR A 65 10.548 26.139 22.576 1.00 15.00 H new ATOM 0 HA TYR A 65 10.776 24.129 24.757 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.455 26.542 25.285 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.794 26.997 24.964 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.003 25.028 27.192 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.032 26.536 26.553 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.405 24.439 29.525 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.433 25.948 28.888 1.00 15.00 H new ATOM 0 HH TYR A 65 8.093 24.965 30.797 1.00 15.00 H new ATOM 445 N THR A 66 8.266 23.750 24.816 1.00 15.00 N ATOM 446 CA THR A 66 6.884 23.326 24.598 1.00 15.00 C ATOM 447 C THR A 66 5.991 23.735 25.767 1.00 15.00 C ATOM 448 O THR A 66 6.403 23.690 26.926 1.00 15.00 O ATOM 449 CB THR A 66 6.832 21.807 24.426 1.00 15.00 C ATOM 450 OG1 THR A 66 7.744 21.417 23.408 1.00 15.00 O ATOM 451 CG2 THR A 66 5.415 21.380 24.033 1.00 15.00 C ATOM 0 H THR A 66 8.748 23.254 25.566 1.00 15.00 H new ATOM 0 HA THR A 66 6.517 23.815 23.696 1.00 15.00 H new ATOM 0 HB THR A 66 7.105 21.327 25.366 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.714 20.444 23.297 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.382 20.297 23.911 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.715 21.679 24.813 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.138 21.859 23.094 1.00 15.00 H new ATOM 459 N LEU A 67 4.763 24.131 25.445 1.00 15.00 N ATOM 460 CA LEU A 67 3.793 24.531 26.460 1.00 15.00 C ATOM 461 C LEU A 67 3.022 23.325 26.986 1.00 15.00 C ATOM 462 O LEU A 67 2.528 22.507 26.211 1.00 15.00 O ATOM 463 CB LEU A 67 2.806 25.531 25.851 1.00 15.00 C ATOM 464 CG LEU A 67 3.530 26.836 25.514 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.604 27.739 24.697 1.00 15.00 C ATOM 466 CD2 LEU A 67 3.920 27.549 26.812 1.00 15.00 C ATOM 0 H LEU A 67 4.415 24.184 24.487 1.00 15.00 H new ATOM 0 HA LEU A 67 4.332 24.988 27.290 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.357 25.111 24.951 1.00 15.00 H new ATOM 0 HB3 LEU A 67 1.993 25.726 26.551 1.00 15.00 H new ATOM 0 HG LEU A 67 4.426 26.615 24.934 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.121 28.668 24.457 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.323 27.232 23.774 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.708 27.961 25.277 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.436 28.479 26.575 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.023 27.769 27.390 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.579 26.907 27.396 1.00 15.00 H new ATOM 478 N LYS A 68 2.888 23.248 28.309 1.00 15.00 N ATOM 479 CA LYS A 68 2.164 22.152 28.946 1.00 15.00 C ATOM 480 C LYS A 68 1.166 22.682 29.978 1.00 15.00 C ATOM 481 O LYS A 68 1.335 23.772 30.523 1.00 15.00 O ATOM 482 CB LYS A 68 3.162 21.175 29.586 1.00 15.00 C ATOM 483 CG LYS A 68 3.885 21.823 30.774 1.00 15.00 C ATOM 484 CD LYS A 68 4.957 20.869 31.302 1.00 15.00 C ATOM 485 CE LYS A 68 5.462 21.366 32.659 1.00 15.00 C ATOM 486 NZ LYS A 68 6.293 20.307 33.297 1.00 15.00 N ATOM 0 H LYS A 68 3.272 23.933 28.960 1.00 15.00 H new ATOM 0 HA LYS A 68 1.592 21.618 28.187 1.00 15.00 H new ATOM 0 HB2 LYS A 68 2.636 20.280 29.920 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.892 20.857 28.842 1.00 15.00 H new ATOM 0 HG2 LYS A 68 4.341 22.764 30.466 1.00 15.00 H new ATOM 0 HG3 LYS A 68 3.171 22.057 31.564 1.00 15.00 H new ATOM 0 HD2 LYS A 68 4.547 19.864 31.401 1.00 15.00 H new ATOM 0 HD3 LYS A 68 5.784 20.808 30.595 1.00 15.00 H new ATOM 0 HE2 LYS A 68 6.049 22.275 32.530 1.00 15.00 H new ATOM 0 HE3 LYS A 68 4.619 21.619 33.302 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 6.637 20.644 34.219 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 5.719 19.450 33.433 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 7.104 20.086 32.685 1.00 15.00 H new ATOM 500 N THR A 69 0.139 21.889 30.268 1.00 15.00 N ATOM 501 CA THR A 69 -0.902 22.310 31.201 1.00 15.00 C ATOM 502 C THR A 69 -0.308 22.730 32.543 1.00 15.00 C ATOM 503 O THR A 69 0.553 22.044 33.096 1.00 15.00 O ATOM 504 CB THR A 69 -1.900 21.170 31.420 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.885 21.581 32.357 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.167 19.937 31.955 1.00 15.00 C ATOM 0 H THR A 69 0.005 20.958 29.874 1.00 15.00 H new ATOM 0 HA THR A 69 -1.413 23.169 30.767 1.00 15.00 H new ATOM 0 HB THR A 69 -2.378 20.920 30.473 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.526 20.853 32.498 1.00 15.00 H new ATOM 0 HG21 THR A 69 -1.881 19.128 32.110 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.412 19.622 31.235 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.686 20.182 32.902 1.00 15.00 H new ATOM 514 N GLY A 70 -0.774 23.863 33.060 1.00 15.00 N ATOM 515 CA GLY A 70 -0.318 24.352 34.359 1.00 15.00 C ATOM 516 C GLY A 70 0.710 25.481 34.243 1.00 15.00 C ATOM 517 O GLY A 70 0.890 26.249 35.188 1.00 15.00 O ATOM 0 H GLY A 70 -1.464 24.458 32.602 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.176 24.706 34.930 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.119 23.526 34.920 1.00 15.00 H new ATOM 521 N GLU A 71 1.384 25.591 33.098 1.00 15.00 N ATOM 522 CA GLU A 71 2.405 26.618 32.916 1.00 15.00 C ATOM 523 C GLU A 71 1.910 27.720 31.985 1.00 15.00 C ATOM 524 O GLU A 71 1.265 27.449 30.973 1.00 15.00 O ATOM 525 CB GLU A 71 3.667 25.991 32.324 1.00 15.00 C ATOM 526 CG GLU A 71 4.793 27.032 32.302 1.00 15.00 C ATOM 527 CD GLU A 71 6.059 26.492 31.628 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.055 25.362 31.160 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.030 27.229 31.590 1.00 15.00 O ATOM 0 H GLU A 71 1.242 24.986 32.289 1.00 15.00 H new ATOM 0 HA GLU A 71 2.626 27.055 33.890 1.00 15.00 H new ATOM 0 HB2 GLU A 71 3.968 25.126 32.915 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.469 25.633 31.314 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.453 27.923 31.774 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.027 27.335 33.323 1.00 15.00 H new ATOM 536 N THR A 72 2.218 28.965 32.338 1.00 15.00 N ATOM 537 CA THR A 72 1.861 30.109 31.501 1.00 15.00 C ATOM 538 C THR A 72 3.125 30.776 30.966 1.00 15.00 C ATOM 539 O THR A 72 4.203 30.644 31.546 1.00 15.00 O ATOM 540 CB THR A 72 1.051 31.129 32.307 1.00 15.00 C ATOM 541 OG1 THR A 72 1.861 31.664 33.344 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.184 30.457 32.912 1.00 15.00 C ATOM 0 H THR A 72 2.713 29.208 33.196 1.00 15.00 H new ATOM 0 HA THR A 72 1.256 29.752 30.668 1.00 15.00 H new ATOM 0 HB THR A 72 0.728 31.933 31.646 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.871 31.045 34.104 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.754 31.190 33.483 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.807 30.055 32.113 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.129 29.647 33.571 1.00 15.00 H new ATOM 550 N VAL A 73 2.983 31.516 29.871 1.00 15.00 N ATOM 551 CA VAL A 73 4.132 32.176 29.258 1.00 15.00 C ATOM 552 C VAL A 73 4.792 33.119 30.262 1.00 15.00 C ATOM 553 O VAL A 73 6.017 33.144 30.391 1.00 15.00 O ATOM 554 CB VAL A 73 3.686 32.955 28.013 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.897 33.601 27.333 1.00 15.00 C ATOM 556 CG2 VAL A 73 3.010 32.001 27.025 1.00 15.00 C ATOM 0 H VAL A 73 2.095 31.673 29.394 1.00 15.00 H new ATOM 0 HA VAL A 73 4.858 31.420 28.959 1.00 15.00 H new ATOM 0 HB VAL A 73 2.985 33.732 28.318 1.00 15.00 H new ATOM 0 HG11 VAL A 73 4.569 34.151 26.451 1.00 15.00 H new ATOM 0 HG12 VAL A 73 5.382 34.286 28.028 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.603 32.826 27.035 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.694 32.556 26.142 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.714 31.222 26.732 1.00 15.00 H new ATOM 0 HG23 VAL A 73 2.140 31.545 27.497 1.00 15.00 H new ATOM 566 N ALA A 74 3.977 33.867 30.997 1.00 15.00 N ATOM 567 CA ALA A 74 4.504 34.833 31.954 1.00 15.00 C ATOM 568 C ALA A 74 5.334 34.140 33.032 1.00 15.00 C ATOM 569 O ALA A 74 6.418 34.607 33.381 1.00 15.00 O ATOM 570 CB ALA A 74 3.356 35.604 32.609 1.00 15.00 C ATOM 0 H ALA A 74 2.959 33.825 30.950 1.00 15.00 H new ATOM 0 HA ALA A 74 5.147 35.527 31.413 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.760 36.323 33.322 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.789 36.133 31.843 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.700 34.907 33.130 1.00 15.00 H new ATOM 576 N ASP A 75 4.842 33.013 33.537 1.00 15.00 N ATOM 577 CA ASP A 75 5.536 32.311 34.613 1.00 15.00 C ATOM 578 C ASP A 75 6.927 31.874 34.163 1.00 15.00 C ATOM 579 O ASP A 75 7.909 32.060 34.882 1.00 15.00 O ATOM 580 CB ASP A 75 4.729 31.087 35.057 1.00 15.00 C ATOM 581 CG ASP A 75 3.423 31.502 35.740 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.337 32.625 36.216 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.522 30.681 35.784 1.00 15.00 O ATOM 0 H ASP A 75 3.978 32.571 33.225 1.00 15.00 H new ATOM 0 HA ASP A 75 5.639 32.997 35.454 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.507 30.461 34.192 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.325 30.484 35.742 1.00 15.00 H new ATOM 588 N LEU A 76 7.010 31.318 32.958 1.00 15.00 N ATOM 589 CA LEU A 76 8.292 30.861 32.433 1.00 15.00 C ATOM 590 C LEU A 76 9.271 32.027 32.346 1.00 15.00 C ATOM 591 O LEU A 76 10.435 31.905 32.726 1.00 15.00 O ATOM 592 CB LEU A 76 8.101 30.239 31.046 1.00 15.00 C ATOM 593 CG LEU A 76 9.415 29.625 30.555 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.635 28.265 31.223 1.00 15.00 C ATOM 595 CD2 LEU A 76 9.352 29.445 29.037 1.00 15.00 C ATOM 0 H LEU A 76 6.216 31.174 32.334 1.00 15.00 H new ATOM 0 HA LEU A 76 8.697 30.108 33.109 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.326 29.473 31.087 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.761 30.999 30.342 1.00 15.00 H new ATOM 0 HG LEU A 76 10.242 30.287 30.812 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.571 27.833 30.870 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.680 28.394 32.304 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.810 27.598 30.971 1.00 15.00 H new ATOM 0 HD21 LEU A 76 10.286 29.008 28.683 1.00 15.00 H new ATOM 0 HD22 LEU A 76 8.523 28.784 28.783 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.202 30.414 28.562 1.00 15.00 H new ATOM 607 N SER A 77 8.786 33.166 31.868 1.00 15.00 N ATOM 608 CA SER A 77 9.636 34.342 31.713 1.00 15.00 C ATOM 609 C SER A 77 10.218 34.780 33.053 1.00 15.00 C ATOM 610 O SER A 77 11.378 35.181 33.128 1.00 15.00 O ATOM 611 CB SER A 77 8.827 35.490 31.111 1.00 15.00 C ATOM 612 OG SER A 77 9.694 36.585 30.853 1.00 15.00 O ATOM 0 H SER A 77 7.816 33.301 31.583 1.00 15.00 H new ATOM 0 HA SER A 77 10.459 34.080 31.048 1.00 15.00 H new ATOM 0 HB2 SER A 77 8.345 35.167 30.188 1.00 15.00 H new ATOM 0 HB3 SER A 77 8.035 35.791 31.796 1.00 15.00 H new ATOM 0 HG SER A 77 9.995 36.971 31.702 1.00 15.00 H new ATOM 618 N LYS A 78 9.403 34.720 34.100 1.00 15.00 N ATOM 619 CA LYS A 78 9.846 35.137 35.426 1.00 15.00 C ATOM 620 C LYS A 78 11.001 34.264 35.908 1.00 15.00 C ATOM 621 O LYS A 78 12.005 34.770 36.409 1.00 15.00 O ATOM 622 CB LYS A 78 8.679 35.039 36.413 1.00 15.00 C ATOM 623 CG LYS A 78 9.089 35.612 37.774 1.00 15.00 C ATOM 624 CD LYS A 78 9.128 37.140 37.702 1.00 15.00 C ATOM 625 CE LYS A 78 9.443 37.708 39.087 1.00 15.00 C ATOM 626 NZ LYS A 78 8.200 37.729 39.909 1.00 15.00 N ATOM 0 H LYS A 78 8.439 34.389 34.058 1.00 15.00 H new ATOM 0 HA LYS A 78 10.192 36.169 35.368 1.00 15.00 H new ATOM 0 HB2 LYS A 78 7.818 35.584 36.025 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.374 33.999 36.525 1.00 15.00 H new ATOM 0 HG2 LYS A 78 8.383 35.293 38.541 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.068 35.227 38.061 1.00 15.00 H new ATOM 0 HD2 LYS A 78 9.883 37.462 36.985 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.170 37.523 37.349 1.00 15.00 H new ATOM 0 HE2 LYS A 78 10.205 37.101 39.576 1.00 15.00 H new ATOM 0 HE3 LYS A 78 9.848 38.716 38.995 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 8.406 38.146 40.839 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 7.475 38.298 39.427 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 7.851 36.758 40.035 1.00 15.00 H new ATOM 640 N SER A 79 10.851 32.953 35.752 1.00 15.00 N ATOM 641 CA SER A 79 11.884 32.019 36.191 1.00 15.00 C ATOM 642 C SER A 79 13.195 32.277 35.452 1.00 15.00 C ATOM 643 O SER A 79 14.272 32.253 36.047 1.00 15.00 O ATOM 644 CB SER A 79 11.429 30.582 35.937 1.00 15.00 C ATOM 645 OG SER A 79 12.356 29.686 36.533 1.00 15.00 O ATOM 0 H SER A 79 10.033 32.515 35.329 1.00 15.00 H new ATOM 0 HA SER A 79 12.048 32.167 37.258 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.434 30.424 36.353 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.360 30.394 34.866 1.00 15.00 H new ATOM 0 HG SER A 79 12.067 28.763 36.374 1.00 15.00 H new ATOM 651 N GLN A 80 13.090 32.522 34.151 1.00 15.00 N ATOM 652 CA GLN A 80 14.266 32.800 33.327 1.00 15.00 C ATOM 653 C GLN A 80 14.819 34.216 33.533 1.00 15.00 C ATOM 654 O GLN A 80 15.943 34.501 33.120 1.00 15.00 O ATOM 655 CB GLN A 80 13.912 32.611 31.851 1.00 15.00 C ATOM 656 CG GLN A 80 13.555 31.144 31.595 1.00 15.00 C ATOM 657 CD GLN A 80 13.113 30.943 30.146 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.759 31.902 29.458 1.00 15.00 O ATOM 659 NE2 GLN A 80 13.114 29.742 29.639 1.00 15.00 N ATOM 0 H GLN A 80 12.206 32.534 33.643 1.00 15.00 H new ATOM 0 HA GLN A 80 15.042 32.099 33.634 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.073 33.253 31.582 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.753 32.906 31.224 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.417 30.512 31.809 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.757 30.835 32.270 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.407 28.948 30.209 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.822 29.596 28.673 1.00 15.00 H new ATOM 668 N ASP A 81 14.044 35.104 34.157 1.00 15.00 N ATOM 669 CA ASP A 81 14.473 36.485 34.356 1.00 15.00 C ATOM 670 C ASP A 81 14.652 37.184 33.008 1.00 15.00 C ATOM 671 O ASP A 81 15.622 37.910 32.785 1.00 15.00 O ATOM 672 CB ASP A 81 15.781 36.524 35.154 1.00 15.00 C ATOM 673 CG ASP A 81 16.049 37.942 35.645 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.514 38.300 36.682 1.00 15.00 O ATOM 675 OD2 ASP A 81 16.787 38.650 34.979 1.00 15.00 O ATOM 0 H ASP A 81 13.119 34.891 34.531 1.00 15.00 H new ATOM 0 HA ASP A 81 13.704 37.012 34.921 1.00 15.00 H new ATOM 0 HB2 ASP A 81 15.720 35.842 36.002 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.608 36.184 34.530 1.00 15.00 H new ATOM 680 N ILE A 82 13.694 36.958 32.113 1.00 15.00 N ATOM 681 CA ILE A 82 13.713 37.575 30.789 1.00 15.00 C ATOM 682 C ILE A 82 12.546 38.552 30.660 1.00 15.00 C ATOM 683 O ILE A 82 11.467 38.315 31.202 1.00 15.00 O ATOM 684 CB ILE A 82 13.614 36.499 29.701 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.754 35.488 29.868 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.725 37.149 28.317 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.559 34.326 28.893 1.00 15.00 C ATOM 0 H ILE A 82 12.892 36.350 32.281 1.00 15.00 H new ATOM 0 HA ILE A 82 14.651 38.115 30.664 1.00 15.00 H new ATOM 0 HB ILE A 82 12.654 35.991 29.793 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.713 35.973 29.684 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.776 35.116 30.892 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.654 36.380 27.547 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.917 37.868 28.187 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.683 37.661 28.231 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.371 33.609 29.014 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.608 33.835 29.098 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.559 34.705 27.871 1.00 15.00 H new ATOM 699 N ASN A 83 12.771 39.650 29.947 1.00 15.00 N ATOM 700 CA ASN A 83 11.738 40.670 29.794 1.00 15.00 C ATOM 701 C ASN A 83 10.609 40.174 28.896 1.00 15.00 C ATOM 702 O ASN A 83 10.843 39.669 27.796 1.00 15.00 O ATOM 703 CB ASN A 83 12.347 41.939 29.193 1.00 15.00 C ATOM 704 CG ASN A 83 13.380 42.534 30.146 1.00 15.00 C ATOM 705 OD1 ASN A 83 13.335 42.284 31.351 1.00 15.00 O ATOM 706 ND2 ASN A 83 14.315 43.312 29.673 1.00 15.00 N ATOM 0 H ASN A 83 13.649 39.856 29.470 1.00 15.00 H new ATOM 0 HA ASN A 83 11.327 40.889 30.780 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.816 41.708 28.236 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.562 42.669 28.995 1.00 15.00 H new ATOM 0 HD21 ASN A 83 15.010 43.714 30.302 1.00 15.00 H new ATOM 0 HD22 ASN A 83 14.351 43.518 28.675 1.00 15.00 H new ATOM 713 N LEU A 84 9.375 40.340 29.363 1.00 15.00 N ATOM 714 CA LEU A 84 8.215 39.925 28.582 1.00 15.00 C ATOM 715 C LEU A 84 8.204 40.619 27.223 1.00 15.00 C ATOM 716 O LEU A 84 7.872 40.005 26.209 1.00 15.00 O ATOM 717 CB LEU A 84 6.925 40.259 29.336 1.00 15.00 C ATOM 718 CG LEU A 84 6.908 39.545 30.691 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.671 39.978 31.479 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.861 38.031 30.474 1.00 15.00 C ATOM 0 H LEU A 84 9.154 40.754 30.268 1.00 15.00 H new ATOM 0 HA LEU A 84 8.276 38.848 28.428 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.849 41.336 29.483 1.00 15.00 H new ATOM 0 HB3 LEU A 84 6.060 39.956 28.745 1.00 15.00 H new ATOM 0 HG LEU A 84 7.809 39.806 31.247 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.658 39.470 32.444 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.699 41.056 31.637 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.773 39.716 30.919 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.849 37.525 31.439 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.961 37.771 29.917 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.740 37.717 29.911 1.00 15.00 H new ATOM 732 N SER A 85 8.592 41.892 27.199 1.00 15.00 N ATOM 733 CA SER A 85 8.604 42.648 25.952 1.00 15.00 C ATOM 734 C SER A 85 9.516 41.979 24.930 1.00 15.00 C ATOM 735 O SER A 85 9.164 41.852 23.759 1.00 15.00 O ATOM 736 CB SER A 85 9.087 44.076 26.213 1.00 15.00 C ATOM 737 OG SER A 85 8.914 44.849 25.033 1.00 15.00 O ATOM 0 H SER A 85 8.899 42.415 28.019 1.00 15.00 H new ATOM 0 HA SER A 85 7.590 42.675 25.554 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.527 44.518 27.037 1.00 15.00 H new ATOM 0 HB3 SER A 85 10.136 44.070 26.508 1.00 15.00 H new ATOM 0 HG SER A 85 9.220 45.766 25.195 1.00 15.00 H new ATOM 743 N THR A 86 10.680 41.525 25.385 1.00 15.00 N ATOM 744 CA THR A 86 11.641 40.892 24.488 1.00 15.00 C ATOM 745 C THR A 86 11.052 39.629 23.865 1.00 15.00 C ATOM 746 O THR A 86 11.129 39.425 22.651 1.00 15.00 O ATOM 747 CB THR A 86 12.916 40.538 25.258 1.00 15.00 C ATOM 748 OG1 THR A 86 13.404 41.697 25.919 1.00 15.00 O ATOM 749 CG2 THR A 86 13.977 40.020 24.286 1.00 15.00 C ATOM 0 H THR A 86 10.979 41.582 26.359 1.00 15.00 H new ATOM 0 HA THR A 86 11.879 41.595 23.690 1.00 15.00 H new ATOM 0 HB THR A 86 12.693 39.765 25.993 1.00 15.00 H new ATOM 0 HG1 THR A 86 14.219 41.472 26.414 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.883 39.769 24.837 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.603 39.131 23.779 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.202 40.791 23.549 1.00 15.00 H new ATOM 757 N ILE A 87 10.427 38.799 24.693 1.00 15.00 N ATOM 758 CA ILE A 87 9.870 37.537 24.214 1.00 15.00 C ATOM 759 C ILE A 87 8.852 37.803 23.108 1.00 15.00 C ATOM 760 O ILE A 87 8.868 37.153 22.064 1.00 15.00 O ATOM 761 CB ILE A 87 9.206 36.778 25.371 1.00 15.00 C ATOM 762 CG1 ILE A 87 10.235 36.540 26.481 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.685 35.424 24.879 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.542 35.938 27.705 1.00 15.00 C ATOM 0 H ILE A 87 10.294 38.973 25.689 1.00 15.00 H new ATOM 0 HA ILE A 87 10.678 36.925 23.812 1.00 15.00 H new ATOM 0 HB ILE A 87 8.375 37.371 25.752 1.00 15.00 H new ATOM 0 HG12 ILE A 87 11.017 35.869 26.127 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.718 37.479 26.750 1.00 15.00 H new ATOM 0 HG21 ILE A 87 8.215 34.892 25.707 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.953 35.582 24.087 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.516 34.833 24.493 1.00 15.00 H new ATOM 0 HD11 ILE A 87 10.276 35.770 28.493 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.776 36.625 28.064 1.00 15.00 H new ATOM 0 HD13 ILE A 87 9.080 34.990 27.432 1.00 15.00 H new ATOM 776 N TRP A 88 7.978 38.775 23.340 1.00 15.00 N ATOM 777 CA TRP A 88 6.964 39.126 22.351 1.00 15.00 C ATOM 778 C TRP A 88 7.601 39.547 21.029 1.00 15.00 C ATOM 779 O TRP A 88 7.216 39.062 19.968 1.00 15.00 O ATOM 780 CB TRP A 88 6.089 40.264 22.876 1.00 15.00 C ATOM 781 CG TRP A 88 4.983 40.636 21.941 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.729 40.132 21.979 1.00 15.00 C ATOM 783 CD2 TRP A 88 5.013 41.574 20.825 1.00 15.00 C ATOM 784 NE1 TRP A 88 2.985 40.703 20.963 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.731 41.598 20.224 1.00 15.00 C ATOM 786 CE3 TRP A 88 6.014 42.399 20.284 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.455 42.413 19.122 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.741 43.217 19.179 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.466 43.226 18.599 1.00 15.00 C ATOM 0 H TRP A 88 7.950 39.330 24.195 1.00 15.00 H new ATOM 0 HA TRP A 88 6.352 38.241 22.175 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.662 39.972 23.836 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.713 41.139 23.057 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.367 39.402 22.688 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.004 40.489 20.782 1.00 15.00 H new ATOM 0 HE3 TRP A 88 7.001 42.403 20.723 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.470 42.415 18.679 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.520 43.845 18.772 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.264 43.860 17.749 1.00 15.00 H new ATOM 800 N SER A 89 8.599 40.423 21.093 1.00 15.00 N ATOM 801 CA SER A 89 9.210 40.956 19.878 1.00 15.00 C ATOM 802 C SER A 89 9.703 39.833 18.968 1.00 15.00 C ATOM 803 O SER A 89 9.588 39.924 17.745 1.00 15.00 O ATOM 804 CB SER A 89 10.383 41.866 20.243 1.00 15.00 C ATOM 805 OG SER A 89 11.429 41.081 20.800 1.00 15.00 O ATOM 0 H SER A 89 8.999 40.776 21.962 1.00 15.00 H new ATOM 0 HA SER A 89 8.451 41.526 19.342 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.739 42.392 19.358 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.062 42.624 20.957 1.00 15.00 H new ATOM 0 HG SER A 89 11.167 40.774 21.693 1.00 15.00 H new ATOM 811 N LEU A 90 10.247 38.778 19.565 1.00 15.00 N ATOM 812 CA LEU A 90 10.729 37.642 18.787 1.00 15.00 C ATOM 813 C LEU A 90 9.573 36.829 18.204 1.00 15.00 C ATOM 814 O LEU A 90 9.512 36.593 16.997 1.00 15.00 O ATOM 815 CB LEU A 90 11.592 36.742 19.675 1.00 15.00 C ATOM 816 CG LEU A 90 12.781 37.543 20.210 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.527 36.719 21.261 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.729 37.879 19.057 1.00 15.00 C ATOM 0 H LEU A 90 10.365 38.685 20.574 1.00 15.00 H new ATOM 0 HA LEU A 90 11.321 38.028 17.958 1.00 15.00 H new ATOM 0 HB2 LEU A 90 10.999 36.354 20.503 1.00 15.00 H new ATOM 0 HB3 LEU A 90 11.945 35.882 19.106 1.00 15.00 H new ATOM 0 HG LEU A 90 12.420 38.465 20.665 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.373 37.293 21.640 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.852 36.482 22.083 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.888 35.795 20.810 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.576 38.450 19.437 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.088 36.957 18.601 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.199 38.471 18.311 1.00 15.00 H new ATOM 830 N ASN A 91 8.636 36.430 19.059 1.00 15.00 N ATOM 831 CA ASN A 91 7.537 35.561 18.629 1.00 15.00 C ATOM 832 C ASN A 91 6.324 36.327 18.084 1.00 15.00 C ATOM 833 O ASN A 91 5.280 35.725 17.833 1.00 15.00 O ATOM 834 CB ASN A 91 7.093 34.683 19.800 1.00 15.00 C ATOM 835 CG ASN A 91 8.239 33.772 20.223 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.160 32.553 20.061 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.312 34.288 20.756 1.00 15.00 N ATOM 0 H ASN A 91 8.612 36.690 20.045 1.00 15.00 H new ATOM 0 HA ASN A 91 7.923 34.957 17.808 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.784 35.307 20.638 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.228 34.085 19.512 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.083 33.683 21.038 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.380 35.297 20.891 1.00 15.00 H new ATOM 844 N LYS A 92 6.444 37.641 17.907 1.00 15.00 N ATOM 845 CA LYS A 92 5.353 38.434 17.349 1.00 15.00 C ATOM 846 C LYS A 92 4.833 37.852 16.031 1.00 15.00 C ATOM 847 O LYS A 92 3.663 38.033 15.694 1.00 15.00 O ATOM 848 CB LYS A 92 5.814 39.887 17.167 1.00 15.00 C ATOM 849 CG LYS A 92 6.889 39.987 16.078 1.00 15.00 C ATOM 850 CD LYS A 92 7.418 41.420 16.012 1.00 15.00 C ATOM 851 CE LYS A 92 8.253 41.599 14.744 1.00 15.00 C ATOM 852 NZ LYS A 92 9.560 40.898 14.907 1.00 15.00 N ATOM 0 H LYS A 92 7.281 38.176 18.140 1.00 15.00 H new ATOM 0 HA LYS A 92 4.520 38.407 18.051 1.00 15.00 H new ATOM 0 HB2 LYS A 92 4.962 40.513 16.901 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.208 40.269 18.109 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.705 39.297 16.293 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.472 39.697 15.113 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.587 42.126 16.016 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.024 41.636 16.892 1.00 15.00 H new ATOM 0 HE2 LYS A 92 7.718 41.198 13.883 1.00 15.00 H new ATOM 0 HE3 LYS A 92 8.418 42.659 14.551 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 10.337 41.568 14.735 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 9.634 40.523 15.874 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.621 40.114 14.226 1.00 15.00 H new ATOM 866 N HIS A 93 5.702 37.178 15.278 1.00 15.00 N ATOM 867 CA HIS A 93 5.286 36.580 14.014 1.00 15.00 C ATOM 868 C HIS A 93 4.399 35.354 14.244 1.00 15.00 C ATOM 869 O HIS A 93 3.464 35.109 13.483 1.00 15.00 O ATOM 870 CB HIS A 93 6.513 36.217 13.166 1.00 15.00 C ATOM 871 CG HIS A 93 7.289 35.015 13.641 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.282 35.097 14.608 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.250 33.695 13.259 1.00 15.00 C ATOM 874 CE1 HIS A 93 8.793 33.863 14.769 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.201 32.971 13.972 1.00 15.00 N ATOM 0 H HIS A 93 6.683 37.035 15.518 1.00 15.00 H new ATOM 0 HA HIS A 93 4.694 37.316 13.470 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.186 36.037 12.142 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.184 37.076 13.140 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.571 35.939 15.106 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.582 33.282 12.517 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.587 33.623 15.460 1.00 15.00 H new ATOM 883 N LEU A 94 4.693 34.587 15.293 1.00 15.00 N ATOM 884 CA LEU A 94 3.923 33.381 15.585 1.00 15.00 C ATOM 885 C LEU A 94 2.517 33.721 16.076 1.00 15.00 C ATOM 886 O LEU A 94 1.540 33.099 15.655 1.00 15.00 O ATOM 887 CB LEU A 94 4.636 32.551 16.656 1.00 15.00 C ATOM 888 CG LEU A 94 6.042 32.183 16.180 1.00 15.00 C ATOM 889 CD1 LEU A 94 6.784 31.456 17.302 1.00 15.00 C ATOM 890 CD2 LEU A 94 5.950 31.261 14.960 1.00 15.00 C ATOM 0 H LEU A 94 5.451 34.777 15.948 1.00 15.00 H new ATOM 0 HA LEU A 94 3.841 32.810 14.660 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.694 33.115 17.587 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.066 31.646 16.867 1.00 15.00 H new ATOM 0 HG LEU A 94 6.579 33.092 15.910 1.00 15.00 H new ATOM 0 HD11 LEU A 94 7.786 31.193 16.964 1.00 15.00 H new ATOM 0 HD12 LEU A 94 6.854 32.107 18.173 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.241 30.549 17.569 1.00 15.00 H new ATOM 0 HD21 LEU A 94 6.954 31.001 14.624 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.411 30.353 15.230 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.419 31.772 14.157 1.00 15.00 H new ATOM 902 N TYR A 95 2.417 34.707 16.964 1.00 15.00 N ATOM 903 CA TYR A 95 1.126 35.084 17.540 1.00 15.00 C ATOM 904 C TYR A 95 0.728 36.491 17.107 1.00 15.00 C ATOM 905 O TYR A 95 1.579 37.359 16.916 1.00 15.00 O ATOM 906 CB TYR A 95 1.204 35.015 19.066 1.00 15.00 C ATOM 907 CG TYR A 95 1.562 33.641 19.583 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.569 32.662 19.710 1.00 15.00 C ATOM 909 CD2 TYR A 95 2.886 33.343 19.930 1.00 15.00 C ATOM 910 CE1 TYR A 95 0.899 31.387 20.185 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.216 32.068 20.405 1.00 15.00 C ATOM 912 CZ TYR A 95 2.223 31.089 20.532 1.00 15.00 C ATOM 913 OH TYR A 95 2.544 29.832 21.003 1.00 15.00 O ATOM 0 H TYR A 95 3.208 35.257 17.300 1.00 15.00 H new ATOM 0 HA TYR A 95 0.370 34.387 17.180 1.00 15.00 H new ATOM 0 HB2 TYR A 95 1.945 35.733 19.418 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.244 35.315 19.486 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.452 32.891 19.441 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.653 34.097 19.831 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.132 30.633 20.284 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.237 31.839 20.674 1.00 15.00 H new ATOM 0 HH TYR A 95 3.410 29.557 20.636 1.00 15.00 H new ATOM 923 N SER A 96 -0.575 36.713 16.970 1.00 15.00 N ATOM 924 CA SER A 96 -1.080 37.981 16.455 1.00 15.00 C ATOM 925 C SER A 96 -0.998 39.092 17.499 1.00 15.00 C ATOM 926 O SER A 96 -0.683 40.235 17.168 1.00 15.00 O ATOM 927 CB SER A 96 -2.532 37.815 16.004 1.00 15.00 C ATOM 928 OG SER A 96 -2.611 36.745 15.072 1.00 15.00 O ATOM 0 H SER A 96 -1.298 36.034 17.207 1.00 15.00 H new ATOM 0 HA SER A 96 -0.454 38.266 15.610 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.172 37.613 16.863 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.892 38.738 15.548 1.00 15.00 H new ATOM 0 HG SER A 96 -3.540 36.633 14.781 1.00 15.00 H new ATOM 934 N SER A 97 -1.279 38.757 18.755 1.00 15.00 N ATOM 935 CA SER A 97 -1.349 39.773 19.801 1.00 15.00 C ATOM 936 C SER A 97 -0.918 39.218 21.155 1.00 15.00 C ATOM 937 O SER A 97 -0.740 38.011 21.318 1.00 15.00 O ATOM 938 CB SER A 97 -2.777 40.310 19.906 1.00 15.00 C ATOM 939 OG SER A 97 -3.617 39.296 20.440 1.00 15.00 O ATOM 0 H SER A 97 -1.460 37.804 19.071 1.00 15.00 H new ATOM 0 HA SER A 97 -0.665 40.577 19.529 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.801 41.193 20.545 1.00 15.00 H new ATOM 0 HB3 SER A 97 -3.136 40.617 18.924 1.00 15.00 H new ATOM 0 HG SER A 97 -4.534 39.635 20.511 1.00 15.00 H new ATOM 945 N GLU A 98 -0.753 40.117 22.120 1.00 15.00 N ATOM 946 CA GLU A 98 -0.343 39.726 23.466 1.00 15.00 C ATOM 947 C GLU A 98 -1.395 38.841 24.131 1.00 15.00 C ATOM 948 O GLU A 98 -1.057 37.920 24.876 1.00 15.00 O ATOM 949 CB GLU A 98 -0.107 40.965 24.336 1.00 15.00 C ATOM 950 CG GLU A 98 1.121 41.737 23.841 1.00 15.00 C ATOM 951 CD GLU A 98 0.815 42.531 22.570 1.00 15.00 C ATOM 952 OE1 GLU A 98 -0.350 42.793 22.307 1.00 15.00 O ATOM 953 OE2 GLU A 98 1.757 42.869 21.873 1.00 15.00 O ATOM 0 H GLU A 98 -0.896 41.119 21.997 1.00 15.00 H new ATOM 0 HA GLU A 98 0.584 39.161 23.373 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.986 41.610 24.309 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.037 40.666 25.374 1.00 15.00 H new ATOM 0 HG2 GLU A 98 1.462 42.417 24.622 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.936 41.039 23.647 1.00 15.00 H new ATOM 960 N SER A 99 -2.669 39.114 23.863 1.00 15.00 N ATOM 961 CA SER A 99 -3.748 38.359 24.493 1.00 15.00 C ATOM 962 C SER A 99 -3.599 36.867 24.212 1.00 15.00 C ATOM 963 O SER A 99 -3.734 36.038 25.112 1.00 15.00 O ATOM 964 CB SER A 99 -5.100 38.845 23.970 1.00 15.00 C ATOM 965 OG SER A 99 -6.137 38.240 24.730 1.00 15.00 O ATOM 0 H SER A 99 -2.977 39.844 23.221 1.00 15.00 H new ATOM 0 HA SER A 99 -3.695 38.520 25.570 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.164 39.931 24.044 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.209 38.591 22.916 1.00 15.00 H new ATOM 0 HG SER A 99 -7.007 38.549 24.401 1.00 15.00 H new ATOM 971 N GLU A 100 -3.280 36.529 22.967 1.00 15.00 N ATOM 972 CA GLU A 100 -3.133 35.129 22.584 1.00 15.00 C ATOM 973 C GLU A 100 -2.002 34.455 23.359 1.00 15.00 C ATOM 974 O GLU A 100 -2.097 33.274 23.696 1.00 15.00 O ATOM 975 CB GLU A 100 -2.878 35.025 21.079 1.00 15.00 C ATOM 976 CG GLU A 100 -4.122 35.510 20.326 1.00 15.00 C ATOM 977 CD GLU A 100 -3.964 35.361 18.811 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.852 35.165 18.344 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.968 35.476 18.127 1.00 15.00 O ATOM 0 H GLU A 100 -3.120 37.197 22.213 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.060 34.611 22.830 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.012 35.626 20.802 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.651 33.994 20.806 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.992 34.943 20.658 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.310 36.555 20.571 1.00 15.00 H new ATOM 986 N MET A 101 -0.935 35.200 23.641 1.00 15.00 N ATOM 987 CA MET A 101 0.187 34.650 24.394 1.00 15.00 C ATOM 988 C MET A 101 -0.233 34.307 25.822 1.00 15.00 C ATOM 989 O MET A 101 -0.016 33.192 26.293 1.00 15.00 O ATOM 990 CB MET A 101 1.335 35.660 24.428 1.00 15.00 C ATOM 991 CG MET A 101 1.865 35.882 23.009 1.00 15.00 C ATOM 992 SD MET A 101 3.347 36.922 23.070 1.00 15.00 S ATOM 993 CE MET A 101 4.485 35.691 23.752 1.00 15.00 C ATOM 0 H MET A 101 -0.825 36.175 23.363 1.00 15.00 H new ATOM 0 HA MET A 101 0.517 33.737 23.899 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.990 36.604 24.850 1.00 15.00 H new ATOM 0 HB3 MET A 101 2.135 35.296 25.073 1.00 15.00 H new ATOM 0 HG2 MET A 101 2.099 34.925 22.543 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.100 36.357 22.394 1.00 15.00 H new ATOM 0 HE1 MET A 101 4.782 35.988 24.758 1.00 15.00 H new ATOM 0 HE2 MET A 101 3.990 34.721 23.791 1.00 15.00 H new ATOM 0 HE3 MET A 101 5.369 35.622 23.118 1.00 15.00 H new ATOM 1003 N MET A 102 -0.897 35.248 26.484 1.00 15.00 N ATOM 1004 CA MET A 102 -1.314 35.046 27.870 1.00 15.00 C ATOM 1005 C MET A 102 -2.252 33.845 27.997 1.00 15.00 C ATOM 1006 O MET A 102 -2.191 33.103 28.977 1.00 15.00 O ATOM 1007 CB MET A 102 -2.031 36.298 28.383 1.00 15.00 C ATOM 1008 CG MET A 102 -1.090 37.509 28.356 1.00 15.00 C ATOM 1009 SD MET A 102 0.361 37.217 29.402 1.00 15.00 S ATOM 1010 CE MET A 102 -0.510 37.077 30.982 1.00 15.00 C ATOM 0 H MET A 102 -1.157 36.152 26.089 1.00 15.00 H new ATOM 0 HA MET A 102 -0.421 34.855 28.465 1.00 15.00 H new ATOM 0 HB2 MET A 102 -2.908 36.499 27.768 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.386 36.129 29.400 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.772 37.706 27.332 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.621 38.396 28.702 1.00 15.00 H new ATOM 0 HE1 MET A 102 0.168 37.335 31.795 1.00 15.00 H new ATOM 0 HE2 MET A 102 -1.361 37.758 30.990 1.00 15.00 H new ATOM 0 HE3 MET A 102 -0.862 36.054 31.114 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.115 33.659 27.003 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.094 32.573 27.035 1.00 15.00 C ATOM 1022 C LYS A 103 -3.578 31.287 26.379 1.00 15.00 C ATOM 1023 O LYS A 103 -4.369 30.398 26.065 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.370 33.019 26.319 1.00 15.00 C ATOM 1025 CG LYS A 103 -5.996 34.196 27.070 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.327 34.570 26.414 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.893 35.823 27.085 1.00 15.00 C ATOM 1028 NZ LYS A 103 -8.818 36.516 26.145 1.00 15.00 N ATOM 0 H LYS A 103 -3.158 34.243 26.168 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.290 32.350 28.084 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.141 33.309 25.294 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.077 32.191 26.266 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.155 33.931 28.115 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.319 35.050 27.057 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.182 34.749 25.349 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.034 33.745 26.505 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -8.422 35.552 27.999 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.082 36.492 27.373 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -9.203 37.368 26.601 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -8.300 36.788 25.285 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -9.598 35.877 25.891 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.265 31.175 26.166 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.693 29.990 25.530 1.00 15.00 C ATOM 1044 C ALA A 104 -2.139 28.711 26.235 1.00 15.00 C ATOM 1045 O ALA A 104 -2.294 28.681 27.456 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.167 30.077 25.550 1.00 15.00 C ATOM 0 H ALA A 104 -1.582 31.888 26.424 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.049 29.956 24.500 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.254 29.191 25.075 1.00 15.00 H new ATOM 0 HB2 ALA A 104 0.154 30.967 25.008 1.00 15.00 H new ATOM 0 HB3 ALA A 104 0.181 30.135 26.581 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.343 27.659 25.449 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.794 26.375 25.980 1.00 15.00 C ATOM 1054 C ALA A 105 -1.791 25.269 25.638 1.00 15.00 C ATOM 1055 O ALA A 105 -0.910 25.481 24.802 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.163 26.026 25.391 1.00 15.00 C ATOM 0 H ALA A 105 -2.203 27.669 24.439 1.00 15.00 H new ATOM 0 HA ALA A 105 -2.871 26.454 27.064 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.497 25.068 25.789 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -4.882 26.800 25.658 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.086 25.961 24.306 1.00 15.00 H new ATOM 1062 N PRO A 106 -1.895 24.106 26.248 1.00 15.00 N ATOM 1063 CA PRO A 106 -0.933 22.993 25.975 1.00 15.00 C ATOM 1064 C PRO A 106 -0.905 22.598 24.500 1.00 15.00 C ATOM 1065 O PRO A 106 -1.925 22.653 23.811 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.429 21.828 26.839 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.292 22.444 27.885 1.00 15.00 C ATOM 1068 CD PRO A 106 -2.898 23.694 27.252 1.00 15.00 C ATOM 0 HA PRO A 106 0.089 23.289 26.212 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -1.989 21.108 26.242 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.594 21.289 27.287 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.071 21.752 28.204 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.710 22.699 28.770 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -3.862 23.481 26.790 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.066 24.476 27.993 1.00 15.00 H new ATOM 1076 N GLY A 107 0.271 22.199 24.024 1.00 15.00 N ATOM 1077 CA GLY A 107 0.416 21.739 22.643 1.00 15.00 C ATOM 1078 C GLY A 107 1.057 22.784 21.726 1.00 15.00 C ATOM 1079 O GLY A 107 1.537 22.437 20.645 1.00 15.00 O ATOM 0 H GLY A 107 1.133 22.184 24.569 1.00 15.00 H new ATOM 0 HA2 GLY A 107 1.021 20.833 22.630 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.565 21.473 22.250 1.00 15.00 H new ATOM 1083 N GLN A 108 1.071 24.052 22.138 1.00 15.00 N ATOM 1084 CA GLN A 108 1.660 25.104 21.315 1.00 15.00 C ATOM 1085 C GLN A 108 3.157 25.217 21.577 1.00 15.00 C ATOM 1086 O GLN A 108 3.641 24.828 22.640 1.00 15.00 O ATOM 1087 CB GLN A 108 0.970 26.441 21.586 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.488 26.357 21.133 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.179 27.700 21.337 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.627 28.003 22.442 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.289 28.528 20.334 1.00 15.00 N ATOM 0 H GLN A 108 0.685 24.371 23.027 1.00 15.00 H new ATOM 0 HA GLN A 108 1.514 24.842 20.267 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.020 26.680 22.648 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.483 27.243 21.054 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.534 26.072 20.082 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -1.008 25.583 21.697 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.916 28.273 19.419 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.748 29.430 20.465 1.00 15.00 H new ATOM 1100 N GLN A 109 3.889 25.744 20.600 1.00 15.00 N ATOM 1101 CA GLN A 109 5.343 25.845 20.707 1.00 15.00 C ATOM 1102 C GLN A 109 5.791 27.299 20.811 1.00 15.00 C ATOM 1103 O GLN A 109 5.111 28.213 20.342 1.00 15.00 O ATOM 1104 CB GLN A 109 5.995 25.203 19.481 1.00 15.00 C ATOM 1105 CG GLN A 109 5.647 23.709 19.438 1.00 15.00 C ATOM 1106 CD GLN A 109 6.379 22.947 18.318 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.217 21.730 18.220 1.00 15.00 O ATOM 1108 NE2 GLN A 109 7.163 23.552 17.459 1.00 15.00 N ATOM 0 H GLN A 109 3.503 26.107 19.728 1.00 15.00 H new ATOM 0 HA GLN A 109 5.652 25.323 21.613 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.647 25.694 18.572 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.076 25.334 19.521 1.00 15.00 H new ATOM 0 HG2 GLN A 109 5.895 23.257 20.398 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.571 23.597 19.302 1.00 15.00 H new ATOM 0 HE21 GLN A 109 7.310 24.559 17.524 1.00 15.00 H new ATOM 0 HE22 GLN A 109 7.626 23.015 16.726 1.00 15.00 H new ATOM 1117 N ILE A 110 6.919 27.500 21.486 1.00 15.00 N ATOM 1118 CA ILE A 110 7.541 28.814 21.593 1.00 15.00 C ATOM 1119 C ILE A 110 9.007 28.718 21.175 1.00 15.00 C ATOM 1120 O ILE A 110 9.689 27.750 21.510 1.00 15.00 O ATOM 1121 CB ILE A 110 7.423 29.324 23.036 1.00 15.00 C ATOM 1122 CG1 ILE A 110 5.941 29.425 23.409 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.078 30.703 23.169 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.797 29.738 24.901 1.00 15.00 C ATOM 0 H ILE A 110 7.425 26.760 21.972 1.00 15.00 H new ATOM 0 HA ILE A 110 7.033 29.517 20.933 1.00 15.00 H new ATOM 0 HB ILE A 110 7.931 28.629 23.705 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.461 30.205 22.817 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.434 28.489 23.175 1.00 15.00 H new ATOM 0 HG21 ILE A 110 7.986 31.052 24.198 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.133 30.632 22.902 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.582 31.407 22.502 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.740 29.808 25.158 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.261 28.944 25.486 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.288 30.686 25.123 1.00 15.00 H new ATOM 1136 N ILE A 111 9.492 29.727 20.455 1.00 15.00 N ATOM 1137 CA ILE A 111 10.885 29.737 20.008 1.00 15.00 C ATOM 1138 C ILE A 111 11.691 30.753 20.814 1.00 15.00 C ATOM 1139 O ILE A 111 11.276 31.898 20.984 1.00 15.00 O ATOM 1140 CB ILE A 111 10.966 30.080 18.514 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.108 29.101 17.709 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.420 29.974 18.039 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.054 29.549 16.246 1.00 15.00 C ATOM 0 H ILE A 111 8.948 30.542 20.170 1.00 15.00 H new ATOM 0 HA ILE A 111 11.304 28.743 20.166 1.00 15.00 H new ATOM 0 HB ILE A 111 10.601 31.096 18.364 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.524 28.096 17.777 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.101 29.058 18.124 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.475 30.218 16.978 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.039 30.671 18.604 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.781 28.958 18.197 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.443 28.851 15.674 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.618 30.546 16.187 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.063 29.569 15.834 1.00 15.00 H new ATOM 1155 N LEU A 112 12.844 30.316 21.310 1.00 15.00 N ATOM 1156 CA LEU A 112 13.753 31.195 22.037 1.00 15.00 C ATOM 1157 C LEU A 112 15.101 31.256 21.312 1.00 15.00 C ATOM 1158 O LEU A 112 15.914 30.344 21.478 1.00 15.00 O ATOM 1159 CB LEU A 112 13.968 30.655 23.452 1.00 15.00 C ATOM 1160 CG LEU A 112 12.646 30.692 24.218 1.00 15.00 C ATOM 1161 CD1 LEU A 112 12.705 29.710 25.390 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.407 32.107 24.751 1.00 15.00 C ATOM 0 H LEU A 112 13.172 29.354 21.221 1.00 15.00 H new ATOM 0 HA LEU A 112 13.320 32.194 22.088 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.347 29.634 23.409 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.718 31.252 23.971 1.00 15.00 H new ATOM 0 HG LEU A 112 11.832 30.411 23.550 1.00 15.00 H new ATOM 0 HD11 LEU A 112 11.762 29.737 25.935 1.00 15.00 H new ATOM 0 HD12 LEU A 112 12.876 28.702 25.012 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.519 29.990 26.059 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.464 32.135 25.298 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.222 32.387 25.418 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.364 32.808 23.917 1.00 15.00 H new ATOM 1174 N PRO A 113 15.340 32.240 20.468 1.00 15.00 N ATOM 1175 CA PRO A 113 16.652 32.361 19.766 1.00 15.00 C ATOM 1176 C PRO A 113 17.719 33.041 20.625 1.00 15.00 C ATOM 1177 O PRO A 113 18.245 34.097 20.269 1.00 15.00 O ATOM 1178 CB PRO A 113 16.318 33.194 18.528 1.00 15.00 C ATOM 1179 CG PRO A 113 15.182 34.067 18.943 1.00 15.00 C ATOM 1180 CD PRO A 113 14.418 33.311 20.033 1.00 15.00 C ATOM 0 HA PRO A 113 17.080 31.387 19.528 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.175 33.787 18.209 1.00 15.00 H new ATOM 0 HB3 PRO A 113 16.040 32.558 17.688 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.547 35.023 19.319 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.532 34.285 18.095 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.157 33.969 20.862 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.486 32.898 19.648 1.00 15.00 H new