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 157:sc= 0.212 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.194) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -83:sc= -0.715! USER MOD Single : A 77 SER OG : rot -1:sc= 0.175 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0104) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.18) USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -51:sc= 1.01 USER MOD Single : A 91 ASN : amide:sc= -0.957 K(o=-0.96,f=-3.2!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.73 K(o=-2.7,f=-5.3!) USER MOD Single : A 95 TYR OH : rot 156:sc= 0.168 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 135:sc= -0.138 (180deg=-0.966) USER MOD Single : A 102 MET CE :methyl -154:sc= -0.198 (180deg=-1.22) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0.31 K(o=0.31,f=-2.6!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.537 27.556 21.210 1.00 0.24 N ATOM 386 CA LEU A 63 15.980 26.530 22.090 1.00 0.26 C ATOM 387 C LEU A 63 14.459 26.496 21.974 1.00 0.21 C ATOM 388 O LEU A 63 13.798 27.523 22.105 1.00 0.19 O ATOM 389 CB LEU A 63 16.375 26.820 23.539 1.00 0.34 C ATOM 390 CG LEU A 63 15.924 25.665 24.436 1.00 1.20 C ATOM 391 CD1 LEU A 63 16.794 24.437 24.164 1.00 1.67 C ATOM 392 CD2 LEU A 63 16.069 26.074 25.904 1.00 1.76 C ATOM 0 HA LEU A 63 16.379 25.561 21.790 1.00 0.26 H new ATOM 0 HB2 LEU A 63 17.455 26.951 23.613 1.00 0.34 H new ATOM 0 HB3 LEU A 63 15.918 27.752 23.872 1.00 0.34 H new ATOM 0 HG LEU A 63 14.882 25.427 24.224 1.00 1.20 H new ATOM 0 HD11 LEU A 63 16.473 23.615 24.803 1.00 1.67 H new ATOM 0 HD12 LEU A 63 16.694 24.145 23.119 1.00 1.67 H new ATOM 0 HD13 LEU A 63 17.836 24.675 24.376 1.00 1.67 H new ATOM 0 HD21 LEU A 63 15.748 25.252 26.544 1.00 1.76 H new ATOM 0 HD22 LEU A 63 17.112 26.312 26.114 1.00 1.76 H new ATOM 0 HD23 LEU A 63 15.451 26.950 26.101 1.00 1.76 H new ATOM 404 N PHE A 64 13.914 25.317 21.692 1.00 0.24 N ATOM 405 CA PHE A 64 12.465 25.156 21.619 1.00 0.22 C ATOM 406 C PHE A 64 11.913 24.628 22.940 1.00 0.21 C ATOM 407 O PHE A 64 12.436 23.660 23.492 1.00 0.26 O ATOM 408 CB PHE A 64 12.104 24.188 20.491 1.00 0.30 C ATOM 409 CG PHE A 64 12.479 24.695 19.119 1.00 0.34 C ATOM 410 CD1 PHE A 64 11.607 25.542 18.423 1.00 1.27 C ATOM 411 CD2 PHE A 64 13.698 24.319 18.542 1.00 1.26 C ATOM 412 CE1 PHE A 64 11.955 26.013 17.151 1.00 1.28 C ATOM 413 CE2 PHE A 64 14.044 24.789 17.270 1.00 1.29 C ATOM 414 CZ PHE A 64 13.173 25.635 16.575 1.00 0.47 C ATOM 0 H PHE A 64 14.447 24.466 21.512 1.00 0.24 H new ATOM 0 HA PHE A 64 12.022 26.131 21.419 1.00 0.22 H new ATOM 0 HB2 PHE A 64 12.604 23.235 20.667 1.00 0.30 H new ATOM 0 HB3 PHE A 64 11.032 23.995 20.518 1.00 0.30 H new ATOM 0 HD1 PHE A 64 10.666 25.832 18.867 1.00 1.27 H new ATOM 0 HD2 PHE A 64 14.371 23.667 19.078 1.00 1.26 H new ATOM 0 HE1 PHE A 64 11.284 26.668 16.615 1.00 1.28 H new ATOM 0 HE2 PHE A 64 14.984 24.498 16.825 1.00 1.29 H new ATOM 0 HZ PHE A 64 13.441 25.997 15.593 1.00 0.47 H new ATOM 424 N TYR A 65 10.857 25.262 23.447 1.00 0.17 N ATOM 425 CA TYR A 65 10.199 24.785 24.663 1.00 0.18 C ATOM 426 C TYR A 65 8.718 24.540 24.394 1.00 0.17 C ATOM 427 O TYR A 65 8.090 25.276 23.634 1.00 0.15 O ATOM 428 CB TYR A 65 10.348 25.813 25.787 1.00 0.20 C ATOM 429 CG TYR A 65 9.919 25.283 27.134 1.00 0.24 C ATOM 430 CD1 TYR A 65 10.846 24.624 27.951 1.00 0.29 C ATOM 431 CD2 TYR A 65 8.597 25.446 27.568 1.00 0.26 C ATOM 432 CE1 TYR A 65 10.453 24.128 29.200 1.00 0.34 C ATOM 433 CE2 TYR A 65 8.204 24.948 28.816 1.00 0.31 C ATOM 434 CZ TYR A 65 9.131 24.290 29.632 1.00 0.35 C ATOM 435 OH TYR A 65 8.746 23.797 30.863 1.00 0.41 O ATOM 0 H TYR A 65 10.441 26.100 23.039 1.00 0.17 H new ATOM 0 HA TYR A 65 10.672 23.851 24.968 1.00 0.18 H new ATOM 0 HB2 TYR A 65 11.389 26.133 25.843 1.00 0.20 H new ATOM 0 HB3 TYR A 65 9.756 26.696 25.545 1.00 0.20 H new ATOM 0 HD1 TYR A 65 11.865 24.498 27.617 1.00 0.29 H new ATOM 0 HD2 TYR A 65 7.881 25.956 26.940 1.00 0.26 H new ATOM 0 HE1 TYR A 65 11.169 23.621 29.830 1.00 0.34 H new ATOM 0 HE2 TYR A 65 7.184 25.072 29.149 1.00 0.31 H new ATOM 0 HH TYR A 65 7.952 24.279 31.175 1.00 0.41 H new ATOM 445 N THR A 66 8.163 23.503 25.016 1.00 0.19 N ATOM 446 CA THR A 66 6.763 23.146 24.798 1.00 0.18 C ATOM 447 C THR A 66 5.905 23.540 25.997 1.00 0.17 C ATOM 448 O THR A 66 6.333 23.428 27.146 1.00 0.17 O ATOM 449 CB THR A 66 6.641 21.639 24.559 1.00 0.19 C ATOM 450 OG1 THR A 66 7.522 21.256 23.512 1.00 0.22 O ATOM 451 CG2 THR A 66 5.203 21.295 24.169 1.00 0.19 C ATOM 0 H THR A 66 8.658 22.898 25.671 1.00 0.19 H new ATOM 0 HA THR A 66 6.407 23.688 23.922 1.00 0.18 H new ATOM 0 HB THR A 66 6.904 21.104 25.472 1.00 0.19 H new ATOM 0 HG1 THR A 66 7.447 20.291 23.358 1.00 0.22 H new ATOM 0 HG21 THR A 66 5.119 20.222 23.999 1.00 0.19 H new ATOM 0 HG22 THR A 66 4.528 21.589 24.972 1.00 0.19 H new ATOM 0 HG23 THR A 66 4.936 21.828 23.257 1.00 0.19 H new ATOM 459 N LEU A 67 4.691 24.002 25.714 1.00 0.16 N ATOM 460 CA LEU A 67 3.761 24.402 26.764 1.00 0.15 C ATOM 461 C LEU A 67 2.981 23.200 27.288 1.00 0.15 C ATOM 462 O LEU A 67 2.339 22.486 26.521 1.00 0.15 O ATOM 463 CB LEU A 67 2.778 25.434 26.203 1.00 0.15 C ATOM 464 CG LEU A 67 3.517 26.732 25.874 1.00 0.16 C ATOM 465 CD1 LEU A 67 2.580 27.671 25.111 1.00 0.18 C ATOM 466 CD2 LEU A 67 3.965 27.408 27.174 1.00 0.16 C ATOM 0 H LEU A 67 4.328 24.109 24.767 1.00 0.16 H new ATOM 0 HA LEU A 67 4.332 24.832 27.587 1.00 0.15 H new ATOM 0 HB2 LEU A 67 2.298 25.042 25.307 1.00 0.15 H new ATOM 0 HB3 LEU A 67 1.988 25.629 26.929 1.00 0.15 H new ATOM 0 HG LEU A 67 4.389 26.508 25.260 1.00 0.16 H new ATOM 0 HD11 LEU A 67 3.105 28.597 24.876 1.00 0.18 H new ATOM 0 HD12 LEU A 67 2.258 27.191 24.187 1.00 0.18 H new ATOM 0 HD13 LEU A 67 1.709 27.895 25.726 1.00 0.18 H new ATOM 0 HD21 LEU A 67 4.492 28.333 26.940 1.00 0.16 H new ATOM 0 HD22 LEU A 67 3.092 27.632 27.787 1.00 0.16 H new ATOM 0 HD23 LEU A 67 4.630 26.740 27.721 1.00 0.16 H new ATOM 478 N LYS A 68 3.014 23.009 28.605 1.00 0.20 N ATOM 479 CA LYS A 68 2.304 21.900 29.239 1.00 0.22 C ATOM 480 C LYS A 68 1.269 22.423 30.231 1.00 0.20 C ATOM 481 O LYS A 68 1.474 23.449 30.878 1.00 0.20 O ATOM 482 CB LYS A 68 3.298 20.997 29.972 1.00 0.25 C ATOM 483 CG LYS A 68 4.258 20.364 28.963 1.00 1.26 C ATOM 484 CD LYS A 68 5.180 19.379 29.684 1.00 1.35 C ATOM 485 CE LYS A 68 6.219 18.836 28.701 1.00 2.28 C ATOM 486 NZ LYS A 68 7.232 19.891 28.418 1.00 2.91 N ATOM 0 H LYS A 68 3.525 23.608 29.254 1.00 0.20 H new ATOM 0 HA LYS A 68 1.794 21.329 28.463 1.00 0.22 H new ATOM 0 HB2 LYS A 68 3.857 21.576 30.707 1.00 0.25 H new ATOM 0 HB3 LYS A 68 2.764 20.219 30.518 1.00 0.25 H new ATOM 0 HG2 LYS A 68 3.696 19.849 28.184 1.00 1.26 H new ATOM 0 HG3 LYS A 68 4.848 21.138 28.472 1.00 1.26 H new ATOM 0 HD2 LYS A 68 5.677 19.874 30.518 1.00 1.35 H new ATOM 0 HD3 LYS A 68 4.597 18.559 30.102 1.00 1.35 H new ATOM 0 HE2 LYS A 68 6.704 17.953 29.118 1.00 2.28 H new ATOM 0 HE3 LYS A 68 5.733 18.526 27.776 1.00 2.28 H new ATOM 0 HZ1 LYS A 68 8.070 19.459 27.980 1.00 2.91 H new ATOM 0 HZ2 LYS A 68 6.827 20.596 27.769 1.00 2.91 H new ATOM 0 HZ3 LYS A 68 7.507 20.356 29.307 1.00 2.91 H new ATOM 500 N THR A 69 0.166 21.695 30.371 1.00 0.24 N ATOM 501 CA THR A 69 -0.908 22.116 31.267 1.00 0.26 C ATOM 502 C THR A 69 -0.384 22.364 32.679 1.00 0.24 C ATOM 503 O THR A 69 0.392 21.571 33.214 1.00 0.26 O ATOM 504 CB THR A 69 -2.003 21.046 31.307 1.00 0.32 C ATOM 505 OG1 THR A 69 -3.024 21.451 32.209 1.00 0.35 O ATOM 506 CG2 THR A 69 -1.408 19.716 31.772 1.00 0.35 C ATOM 0 H THR A 69 -0.008 20.818 29.881 1.00 0.24 H new ATOM 0 HA THR A 69 -1.320 23.050 30.884 1.00 0.26 H new ATOM 0 HB THR A 69 -2.425 20.921 30.310 1.00 0.32 H new ATOM 0 HG1 THR A 69 -3.727 20.769 32.235 1.00 0.35 H new ATOM 0 HG21 THR A 69 -2.190 18.957 31.799 1.00 0.35 H new ATOM 0 HG22 THR A 69 -0.625 19.406 31.080 1.00 0.35 H new ATOM 0 HG23 THR A 69 -0.984 19.836 32.769 1.00 0.35 H new ATOM 514 N GLY A 70 -0.816 23.471 33.275 1.00 0.26 N ATOM 515 CA GLY A 70 -0.402 23.816 34.634 1.00 0.29 C ATOM 516 C GLY A 70 0.616 24.960 34.663 1.00 0.28 C ATOM 517 O GLY A 70 0.720 25.667 35.664 1.00 0.32 O ATOM 0 H GLY A 70 -1.450 24.143 32.842 1.00 0.26 H new ATOM 0 HA2 GLY A 70 -1.279 24.099 35.217 1.00 0.29 H new ATOM 0 HA3 GLY A 70 0.030 22.937 35.113 1.00 0.29 H new ATOM 521 N GLU A 71 1.365 25.147 33.577 1.00 0.25 N ATOM 522 CA GLU A 71 2.368 26.208 33.520 1.00 0.26 C ATOM 523 C GLU A 71 1.922 27.307 32.561 1.00 0.27 C ATOM 524 O GLU A 71 1.281 27.033 31.547 1.00 0.28 O ATOM 525 CB GLU A 71 3.707 25.632 33.057 1.00 0.27 C ATOM 526 CG GLU A 71 4.807 26.681 33.252 1.00 0.32 C ATOM 527 CD GLU A 71 6.163 26.193 32.728 1.00 0.36 C ATOM 528 OE1 GLU A 71 6.231 25.117 32.150 1.00 0.34 O ATOM 529 OE2 GLU A 71 7.130 26.909 32.928 1.00 0.43 O ATOM 0 H GLU A 71 1.297 24.582 32.731 1.00 0.25 H new ATOM 0 HA GLU A 71 2.483 26.635 34.516 1.00 0.26 H new ATOM 0 HB2 GLU A 71 3.943 24.731 33.624 1.00 0.27 H new ATOM 0 HB3 GLU A 71 3.647 25.342 32.008 1.00 0.27 H new ATOM 0 HG2 GLU A 71 4.528 27.600 32.736 1.00 0.32 H new ATOM 0 HG3 GLU A 71 4.893 26.924 34.311 1.00 0.32 H new ATOM 536 N THR A 72 2.264 28.552 32.886 1.00 0.29 N ATOM 537 CA THR A 72 1.854 29.694 32.069 1.00 0.32 C ATOM 538 C THR A 72 3.062 30.369 31.425 1.00 0.30 C ATOM 539 O THR A 72 4.198 30.212 31.875 1.00 0.27 O ATOM 540 CB THR A 72 1.107 30.714 32.933 1.00 0.37 C ATOM 541 OG1 THR A 72 1.985 31.225 33.925 1.00 0.38 O ATOM 542 CG2 THR A 72 -0.096 30.049 33.604 1.00 0.40 C ATOM 0 H THR A 72 2.821 28.796 33.705 1.00 0.29 H new ATOM 0 HA THR A 72 1.197 29.326 31.281 1.00 0.32 H new ATOM 0 HB THR A 72 0.755 31.530 32.302 1.00 0.37 H new ATOM 0 HG1 THR A 72 2.008 30.611 34.689 1.00 0.38 H new ATOM 0 HG21 THR A 72 -0.622 30.781 34.217 1.00 0.40 H new ATOM 0 HG22 THR A 72 -0.771 29.663 32.840 1.00 0.40 H new ATOM 0 HG23 THR A 72 0.247 29.228 34.234 1.00 0.40 H new ATOM 550 N VAL A 73 2.806 31.144 30.376 1.00 0.33 N ATOM 551 CA VAL A 73 3.879 31.835 29.669 1.00 0.32 C ATOM 552 C VAL A 73 4.637 32.747 30.633 1.00 0.29 C ATOM 553 O VAL A 73 5.867 32.795 30.619 1.00 0.26 O ATOM 554 CB VAL A 73 3.299 32.653 28.509 1.00 0.38 C ATOM 555 CG1 VAL A 73 4.424 33.344 27.732 1.00 0.38 C ATOM 556 CG2 VAL A 73 2.536 31.725 27.561 1.00 0.42 C ATOM 0 H VAL A 73 1.873 31.309 29.999 1.00 0.33 H new ATOM 0 HA VAL A 73 4.573 31.097 29.266 1.00 0.32 H new ATOM 0 HB VAL A 73 2.626 33.408 28.915 1.00 0.38 H new ATOM 0 HG11 VAL A 73 3.998 33.921 26.911 1.00 0.38 H new ATOM 0 HG12 VAL A 73 4.971 34.011 28.399 1.00 0.38 H new ATOM 0 HG13 VAL A 73 5.105 32.593 27.332 1.00 0.38 H new ATOM 0 HG21 VAL A 73 2.124 32.306 26.736 1.00 0.42 H new ATOM 0 HG22 VAL A 73 3.215 30.968 27.168 1.00 0.42 H new ATOM 0 HG23 VAL A 73 1.725 31.238 28.103 1.00 0.42 H new ATOM 566 N ALA A 74 3.899 33.451 31.486 1.00 0.31 N ATOM 567 CA ALA A 74 4.524 34.353 32.446 1.00 0.30 C ATOM 568 C ALA A 74 5.477 33.587 33.363 1.00 0.28 C ATOM 569 O ALA A 74 6.558 34.075 33.692 1.00 0.26 O ATOM 570 CB ALA A 74 3.453 35.062 33.278 1.00 0.36 C ATOM 0 H ALA A 74 2.881 33.415 31.532 1.00 0.31 H new ATOM 0 HA ALA A 74 5.097 35.098 31.895 1.00 0.30 H new ATOM 0 HB1 ALA A 74 3.931 35.733 33.991 1.00 0.36 H new ATOM 0 HB2 ALA A 74 2.802 35.637 32.619 1.00 0.36 H new ATOM 0 HB3 ALA A 74 2.861 34.322 33.817 1.00 0.36 H new ATOM 576 N ASP A 75 5.088 32.376 33.755 1.00 0.30 N ATOM 577 CA ASP A 75 5.932 31.563 34.625 1.00 0.32 C ATOM 578 C ASP A 75 7.277 31.300 33.954 1.00 0.29 C ATOM 579 O ASP A 75 8.332 31.424 34.578 1.00 0.31 O ATOM 580 CB ASP A 75 5.242 30.231 34.931 1.00 0.38 C ATOM 581 CG ASP A 75 3.956 30.462 35.723 1.00 0.42 C ATOM 582 OD1 ASP A 75 3.896 31.429 36.466 1.00 0.79 O ATOM 583 OD2 ASP A 75 3.046 29.664 35.574 1.00 0.75 O ATOM 0 H ASP A 75 4.205 31.941 33.488 1.00 0.30 H new ATOM 0 HA ASP A 75 6.096 32.104 35.557 1.00 0.32 H new ATOM 0 HB2 ASP A 75 5.014 29.711 34.001 1.00 0.38 H new ATOM 0 HB3 ASP A 75 5.915 29.588 35.499 1.00 0.38 H new ATOM 588 N LEU A 76 7.234 30.968 32.669 1.00 0.28 N ATOM 589 CA LEU A 76 8.459 30.732 31.913 1.00 0.31 C ATOM 590 C LEU A 76 9.351 31.969 31.946 1.00 0.27 C ATOM 591 O LEU A 76 10.558 31.877 32.156 1.00 0.31 O ATOM 592 CB LEU A 76 8.123 30.398 30.458 1.00 0.34 C ATOM 593 CG LEU A 76 7.376 29.065 30.390 1.00 0.88 C ATOM 594 CD1 LEU A 76 6.721 28.918 29.015 1.00 1.64 C ATOM 595 CD2 LEU A 76 8.368 27.918 30.599 1.00 1.26 C ATOM 0 H LEU A 76 6.374 30.857 32.133 1.00 0.28 H new ATOM 0 HA LEU A 76 8.986 29.894 32.369 1.00 0.31 H new ATOM 0 HB2 LEU A 76 7.512 31.190 30.026 1.00 0.34 H new ATOM 0 HB3 LEU A 76 9.038 30.343 29.868 1.00 0.34 H new ATOM 0 HG LEU A 76 6.611 29.037 31.165 1.00 0.88 H new ATOM 0 HD11 LEU A 76 6.188 27.968 28.965 1.00 1.64 H new ATOM 0 HD12 LEU A 76 6.019 29.737 28.857 1.00 1.64 H new ATOM 0 HD13 LEU A 76 7.489 28.944 28.242 1.00 1.64 H new ATOM 0 HD21 LEU A 76 7.839 26.966 30.551 1.00 1.26 H new ATOM 0 HD22 LEU A 76 9.130 27.949 29.820 1.00 1.26 H new ATOM 0 HD23 LEU A 76 8.843 28.021 31.575 1.00 1.26 H new ATOM 607 N SER A 77 8.734 33.129 31.764 1.00 0.22 N ATOM 608 CA SER A 77 9.477 34.384 31.724 1.00 0.22 C ATOM 609 C SER A 77 10.243 34.612 33.022 1.00 0.22 C ATOM 610 O SER A 77 11.391 35.057 33.001 1.00 0.24 O ATOM 611 CB SER A 77 8.507 35.544 31.497 1.00 0.24 C ATOM 612 OG SER A 77 9.247 36.734 31.264 1.00 0.27 O ATOM 0 H SER A 77 7.726 33.228 31.642 1.00 0.22 H new ATOM 0 HA SER A 77 10.195 34.330 30.906 1.00 0.22 H new ATOM 0 HB2 SER A 77 7.860 35.331 30.646 1.00 0.24 H new ATOM 0 HB3 SER A 77 7.860 35.668 32.366 1.00 0.24 H new ATOM 0 HG SER A 77 10.206 36.541 31.327 1.00 0.27 H new ATOM 618 N LYS A 78 9.595 34.321 34.143 1.00 0.22 N ATOM 619 CA LYS A 78 10.208 34.534 35.451 1.00 0.27 C ATOM 620 C LYS A 78 11.439 33.652 35.632 1.00 0.31 C ATOM 621 O LYS A 78 12.494 34.122 36.060 1.00 0.34 O ATOM 622 CB LYS A 78 9.191 34.229 36.555 1.00 0.32 C ATOM 623 CG LYS A 78 9.781 34.600 37.917 1.00 0.39 C ATOM 624 CD LYS A 78 8.797 34.214 39.023 1.00 1.16 C ATOM 625 CE LYS A 78 9.314 34.721 40.370 1.00 1.39 C ATOM 626 NZ LYS A 78 10.430 33.851 40.834 1.00 2.13 N ATOM 0 H LYS A 78 8.650 33.939 34.175 1.00 0.22 H new ATOM 0 HA LYS A 78 10.520 35.576 35.515 1.00 0.27 H new ATOM 0 HB2 LYS A 78 8.272 34.789 36.381 1.00 0.32 H new ATOM 0 HB3 LYS A 78 8.928 33.171 36.538 1.00 0.32 H new ATOM 0 HG2 LYS A 78 10.731 34.086 38.066 1.00 0.39 H new ATOM 0 HG3 LYS A 78 9.987 35.670 37.956 1.00 0.39 H new ATOM 0 HD2 LYS A 78 7.815 34.640 38.815 1.00 1.16 H new ATOM 0 HD3 LYS A 78 8.675 33.131 39.053 1.00 1.16 H new ATOM 0 HE2 LYS A 78 9.657 35.751 40.275 1.00 1.39 H new ATOM 0 HE3 LYS A 78 8.509 34.720 41.104 1.00 1.39 H new ATOM 0 HZ1 LYS A 78 10.736 34.154 41.780 1.00 2.13 H new ATOM 0 HZ2 LYS A 78 10.106 32.863 40.875 1.00 2.13 H new ATOM 0 HZ3 LYS A 78 11.228 33.927 40.171 1.00 2.13 H new ATOM 640 N SER A 79 11.299 32.372 35.304 1.00 0.33 N ATOM 641 CA SER A 79 12.396 31.425 35.483 1.00 0.39 C ATOM 642 C SER A 79 13.609 31.834 34.653 1.00 0.40 C ATOM 643 O SER A 79 14.745 31.774 35.124 1.00 0.44 O ATOM 644 CB SER A 79 11.944 30.023 35.071 1.00 0.42 C ATOM 645 OG SER A 79 12.954 29.086 35.424 1.00 0.49 O ATOM 0 H SER A 79 10.446 31.968 34.917 1.00 0.33 H new ATOM 0 HA SER A 79 12.679 31.425 36.536 1.00 0.39 H new ATOM 0 HB2 SER A 79 11.006 29.770 35.566 1.00 0.42 H new ATOM 0 HB3 SER A 79 11.757 29.988 33.998 1.00 0.42 H new ATOM 0 HG SER A 79 12.670 28.185 35.164 1.00 0.49 H new ATOM 651 N GLN A 80 13.357 32.247 33.418 1.00 0.37 N ATOM 652 CA GLN A 80 14.434 32.668 32.520 1.00 0.41 C ATOM 653 C GLN A 80 14.985 34.060 32.858 1.00 0.39 C ATOM 654 O GLN A 80 16.056 34.428 32.376 1.00 0.44 O ATOM 655 CB GLN A 80 13.924 32.665 31.076 1.00 0.42 C ATOM 656 CG GLN A 80 13.402 31.274 30.694 1.00 0.47 C ATOM 657 CD GLN A 80 14.500 30.223 30.837 1.00 1.17 C ATOM 658 OE1 GLN A 80 15.609 30.410 30.336 1.00 1.85 O ATOM 659 NE2 GLN A 80 14.256 29.123 31.495 1.00 1.55 N ATOM 0 H GLN A 80 12.422 32.301 33.013 1.00 0.37 H new ATOM 0 HA GLN A 80 15.251 31.957 32.646 1.00 0.41 H new ATOM 0 HB2 GLN A 80 13.129 33.402 30.963 1.00 0.42 H new ATOM 0 HB3 GLN A 80 14.727 32.957 30.400 1.00 0.42 H new ATOM 0 HG2 GLN A 80 12.556 31.011 31.329 1.00 0.47 H new ATOM 0 HG3 GLN A 80 13.037 31.287 29.667 1.00 0.47 H new ATOM 0 HE21 GLN A 80 13.337 28.970 31.909 1.00 1.55 H new ATOM 0 HE22 GLN A 80 14.985 28.416 31.595 1.00 1.55 H new ATOM 668 N ASP A 81 14.268 34.834 33.674 1.00 0.37 N ATOM 669 CA ASP A 81 14.690 36.195 33.988 1.00 0.38 C ATOM 670 C ASP A 81 14.725 37.044 32.716 1.00 0.35 C ATOM 671 O ASP A 81 15.650 37.827 32.493 1.00 0.38 O ATOM 672 CB ASP A 81 16.072 36.177 34.651 1.00 0.46 C ATOM 673 CG ASP A 81 16.368 37.520 35.314 1.00 0.52 C ATOM 674 OD1 ASP A 81 15.432 38.172 35.751 1.00 1.15 O ATOM 675 OD2 ASP A 81 17.533 37.879 35.378 1.00 1.15 O ATOM 0 H ASP A 81 13.400 34.543 34.125 1.00 0.37 H new ATOM 0 HA ASP A 81 13.973 36.635 34.681 1.00 0.38 H new ATOM 0 HB2 ASP A 81 16.114 35.381 35.395 1.00 0.46 H new ATOM 0 HB3 ASP A 81 16.836 35.957 33.905 1.00 0.46 H new ATOM 680 N ILE A 82 13.697 36.884 31.888 1.00 0.30 N ATOM 681 CA ILE A 82 13.595 37.619 30.629 1.00 0.29 C ATOM 682 C ILE A 82 12.343 38.492 30.643 1.00 0.26 C ATOM 683 O ILE A 82 11.327 38.123 31.231 1.00 0.25 O ATOM 684 CB ILE A 82 13.536 36.640 29.449 1.00 0.31 C ATOM 685 CG1 ILE A 82 14.769 35.731 29.471 1.00 0.37 C ATOM 686 CG2 ILE A 82 13.514 37.417 28.129 1.00 0.35 C ATOM 687 CD1 ILE A 82 14.626 34.646 28.402 1.00 0.41 C ATOM 0 H ILE A 82 12.919 36.249 32.066 1.00 0.30 H new ATOM 0 HA ILE A 82 14.474 38.253 30.516 1.00 0.29 H new ATOM 0 HB ILE A 82 12.632 36.038 29.534 1.00 0.31 H new ATOM 0 HG12 ILE A 82 15.669 36.318 29.290 1.00 0.37 H new ATOM 0 HG13 ILE A 82 14.879 35.274 30.455 1.00 0.37 H new ATOM 0 HG21 ILE A 82 13.472 36.716 27.295 1.00 0.35 H new ATOM 0 HG22 ILE A 82 12.638 38.065 28.103 1.00 0.35 H new ATOM 0 HG23 ILE A 82 14.416 38.023 28.049 1.00 0.35 H new ATOM 0 HD11 ILE A 82 15.504 34.000 28.419 1.00 0.41 H new ATOM 0 HD12 ILE A 82 13.735 34.052 28.604 1.00 0.41 H new ATOM 0 HD13 ILE A 82 14.537 35.112 27.421 1.00 0.41 H new ATOM 699 N ASN A 83 12.423 39.652 29.999 1.00 0.29 N ATOM 700 CA ASN A 83 11.291 40.569 29.962 1.00 0.29 C ATOM 701 C ASN A 83 10.229 40.076 28.984 1.00 0.25 C ATOM 702 O ASN A 83 10.540 39.652 27.869 1.00 0.22 O ATOM 703 CB ASN A 83 11.763 41.964 29.544 1.00 0.36 C ATOM 704 CG ASN A 83 12.784 42.492 30.545 1.00 0.43 C ATOM 705 OD1 ASN A 83 12.651 42.263 31.748 1.00 1.13 O ATOM 706 ND2 ASN A 83 13.802 43.188 30.119 1.00 1.07 N ATOM 0 H ASN A 83 13.252 39.977 29.500 1.00 0.29 H new ATOM 0 HA ASN A 83 10.854 40.615 30.960 1.00 0.29 H new ATOM 0 HB2 ASN A 83 12.205 41.924 28.548 1.00 0.36 H new ATOM 0 HB3 ASN A 83 10.912 42.643 29.488 1.00 0.36 H new ATOM 0 HD21 ASN A 83 14.490 43.544 30.783 1.00 1.07 H new ATOM 0 HD22 ASN A 83 13.910 43.376 29.122 1.00 1.07 H new ATOM 713 N LEU A 84 8.968 40.145 29.402 1.00 0.24 N ATOM 714 CA LEU A 84 7.870 39.705 28.546 1.00 0.21 C ATOM 715 C LEU A 84 7.882 40.456 27.217 1.00 0.21 C ATOM 716 O LEU A 84 7.599 39.874 26.171 1.00 0.19 O ATOM 717 CB LEU A 84 6.529 39.927 29.252 1.00 0.24 C ATOM 718 CG LEU A 84 6.477 39.116 30.550 1.00 0.25 C ATOM 719 CD1 LEU A 84 5.191 39.450 31.310 1.00 0.29 C ATOM 720 CD2 LEU A 84 6.488 37.621 30.223 1.00 0.24 C ATOM 0 H LEU A 84 8.683 40.497 30.316 1.00 0.24 H new ATOM 0 HA LEU A 84 8.001 38.642 28.346 1.00 0.21 H new ATOM 0 HB2 LEU A 84 6.395 40.986 29.470 1.00 0.24 H new ATOM 0 HB3 LEU A 84 5.710 39.631 28.596 1.00 0.24 H new ATOM 0 HG LEU A 84 7.344 39.364 31.163 1.00 0.25 H new ATOM 0 HD11 LEU A 84 5.154 38.873 32.234 1.00 0.29 H new ATOM 0 HD12 LEU A 84 5.174 40.514 31.546 1.00 0.29 H new ATOM 0 HD13 LEU A 84 4.328 39.201 30.692 1.00 0.29 H new ATOM 0 HD21 LEU A 84 6.451 37.046 31.148 1.00 0.24 H new ATOM 0 HD22 LEU A 84 5.621 37.377 29.609 1.00 0.24 H new ATOM 0 HD23 LEU A 84 7.400 37.374 29.679 1.00 0.24 H new ATOM 732 N SER A 85 8.233 41.738 27.252 1.00 0.24 N ATOM 733 CA SER A 85 8.269 42.539 26.033 1.00 0.24 C ATOM 734 C SER A 85 9.238 41.928 25.026 1.00 0.21 C ATOM 735 O SER A 85 8.928 41.814 23.842 1.00 0.19 O ATOM 736 CB SER A 85 8.702 43.969 26.360 1.00 0.28 C ATOM 737 OG SER A 85 8.551 44.778 25.201 1.00 0.29 O ATOM 0 H SER A 85 8.494 42.240 28.101 1.00 0.24 H new ATOM 0 HA SER A 85 7.270 42.555 25.598 1.00 0.24 H new ATOM 0 HB2 SER A 85 8.100 44.367 27.177 1.00 0.28 H new ATOM 0 HB3 SER A 85 9.740 43.981 26.694 1.00 0.28 H new ATOM 0 HG SER A 85 8.826 45.696 25.405 1.00 0.29 H new ATOM 743 N THR A 86 10.403 41.510 25.509 1.00 0.22 N ATOM 744 CA THR A 86 11.414 40.928 24.631 1.00 0.20 C ATOM 745 C THR A 86 10.891 39.652 23.974 1.00 0.17 C ATOM 746 O THR A 86 11.030 39.456 22.766 1.00 0.15 O ATOM 747 CB THR A 86 12.679 40.612 25.433 1.00 0.23 C ATOM 748 OG1 THR A 86 13.103 41.779 26.121 1.00 0.27 O ATOM 749 CG2 THR A 86 13.786 40.147 24.484 1.00 0.23 C ATOM 0 H THR A 86 10.670 41.562 26.492 1.00 0.22 H new ATOM 0 HA THR A 86 11.648 41.651 23.850 1.00 0.20 H new ATOM 0 HB THR A 86 12.466 39.821 26.152 1.00 0.23 H new ATOM 0 HG1 THR A 86 13.912 41.579 26.637 1.00 0.27 H new ATOM 0 HG21 THR A 86 14.686 39.923 25.057 1.00 0.23 H new ATOM 0 HG22 THR A 86 13.460 39.251 23.955 1.00 0.23 H new ATOM 0 HG23 THR A 86 14.002 40.935 23.763 1.00 0.23 H new ATOM 757 N ILE A 87 10.253 38.800 24.771 1.00 0.16 N ATOM 758 CA ILE A 87 9.745 37.529 24.261 1.00 0.14 C ATOM 759 C ILE A 87 8.774 37.779 23.110 1.00 0.13 C ATOM 760 O ILE A 87 8.848 37.129 22.069 1.00 0.13 O ATOM 761 CB ILE A 87 9.047 36.753 25.386 1.00 0.15 C ATOM 762 CG1 ILE A 87 10.027 36.529 26.541 1.00 0.18 C ATOM 763 CG2 ILE A 87 8.573 35.391 24.866 1.00 0.15 C ATOM 764 CD1 ILE A 87 9.289 35.912 27.730 1.00 0.20 C ATOM 0 H ILE A 87 10.076 38.963 25.762 1.00 0.16 H new ATOM 0 HA ILE A 87 10.581 36.935 23.892 1.00 0.14 H new ATOM 0 HB ILE A 87 8.190 37.330 25.733 1.00 0.15 H new ATOM 0 HG12 ILE A 87 10.836 35.872 26.222 1.00 0.18 H new ATOM 0 HG13 ILE A 87 10.482 37.475 26.834 1.00 0.18 H new ATOM 0 HG21 ILE A 87 8.079 34.846 25.670 1.00 0.15 H new ATOM 0 HG22 ILE A 87 7.873 35.539 24.044 1.00 0.15 H new ATOM 0 HG23 ILE A 87 9.430 34.818 24.513 1.00 0.15 H new ATOM 0 HD11 ILE A 87 9.989 35.754 28.550 1.00 0.20 H new ATOM 0 HD12 ILE A 87 8.496 36.585 28.055 1.00 0.20 H new ATOM 0 HD13 ILE A 87 8.856 34.957 27.433 1.00 0.20 H new ATOM 776 N TRP A 88 7.875 38.737 23.303 1.00 0.14 N ATOM 777 CA TRP A 88 6.904 39.072 22.268 1.00 0.15 C ATOM 778 C TRP A 88 7.597 39.520 20.982 1.00 0.14 C ATOM 779 O TRP A 88 7.268 39.043 19.898 1.00 0.15 O ATOM 780 CB TRP A 88 5.974 40.183 22.759 1.00 0.18 C ATOM 781 CG TRP A 88 4.921 40.563 21.765 1.00 0.21 C ATOM 782 CD1 TRP A 88 3.808 39.843 21.496 1.00 0.32 C ATOM 783 CD2 TRP A 88 4.867 41.736 20.902 1.00 0.31 C ATOM 784 NE1 TRP A 88 3.074 40.499 20.526 1.00 0.31 N ATOM 785 CE2 TRP A 88 3.683 41.671 20.127 1.00 0.29 C ATOM 786 CE3 TRP A 88 5.719 42.840 20.719 1.00 0.53 C ATOM 787 CZ2 TRP A 88 3.360 42.667 19.203 1.00 0.41 C ATOM 788 CZ3 TRP A 88 5.397 43.841 19.792 1.00 0.69 C ATOM 789 CH2 TRP A 88 4.220 43.757 19.035 1.00 0.62 C ATOM 0 H TRP A 88 7.798 39.290 24.156 1.00 0.14 H new ATOM 0 HA TRP A 88 6.323 38.175 22.053 1.00 0.15 H new ATOM 0 HB2 TRP A 88 5.492 39.861 23.682 1.00 0.18 H new ATOM 0 HB3 TRP A 88 6.569 41.064 23.001 1.00 0.18 H new ATOM 0 HD1 TRP A 88 3.537 38.908 21.963 1.00 0.32 H new ATOM 0 HE1 TRP A 88 2.189 40.158 20.150 1.00 0.31 H new ATOM 0 HE3 TRP A 88 6.628 42.917 21.297 1.00 0.53 H new ATOM 0 HZ2 TRP A 88 2.452 42.596 18.622 1.00 0.41 H new ATOM 0 HZ3 TRP A 88 6.060 44.683 19.660 1.00 0.69 H new ATOM 0 HH2 TRP A 88 3.978 44.533 18.323 1.00 0.62 H new ATOM 800 N SER A 89 8.580 40.406 21.103 1.00 0.14 N ATOM 801 CA SER A 89 9.244 40.957 19.924 1.00 0.14 C ATOM 802 C SER A 89 9.785 39.850 19.022 1.00 0.14 C ATOM 803 O SER A 89 9.716 39.953 17.797 1.00 0.15 O ATOM 804 CB SER A 89 10.394 41.870 20.352 1.00 0.15 C ATOM 805 OG SER A 89 11.437 41.081 20.907 1.00 0.15 O ATOM 0 H SER A 89 8.932 40.756 21.994 1.00 0.14 H new ATOM 0 HA SER A 89 8.506 41.529 19.362 1.00 0.14 H new ATOM 0 HB2 SER A 89 10.765 42.433 19.496 1.00 0.15 H new ATOM 0 HB3 SER A 89 10.043 42.597 21.084 1.00 0.15 H new ATOM 0 HG SER A 89 11.069 40.491 21.597 1.00 0.15 H new ATOM 811 N LEU A 90 10.319 38.794 19.628 1.00 0.13 N ATOM 812 CA LEU A 90 10.841 37.672 18.854 1.00 0.14 C ATOM 813 C LEU A 90 9.713 36.847 18.232 1.00 0.13 C ATOM 814 O LEU A 90 9.697 36.617 17.023 1.00 0.15 O ATOM 815 CB LEU A 90 11.694 36.773 19.754 1.00 0.14 C ATOM 816 CG LEU A 90 12.838 37.584 20.370 1.00 0.16 C ATOM 817 CD1 LEU A 90 13.614 36.705 21.353 1.00 0.16 C ATOM 818 CD2 LEU A 90 13.785 38.063 19.267 1.00 0.18 C ATOM 0 H LEU A 90 10.401 38.691 20.639 1.00 0.13 H new ATOM 0 HA LEU A 90 11.451 38.078 18.047 1.00 0.14 H new ATOM 0 HB2 LEU A 90 11.077 36.343 20.542 1.00 0.14 H new ATOM 0 HB3 LEU A 90 12.097 35.942 19.175 1.00 0.14 H new ATOM 0 HG LEU A 90 12.425 38.446 20.894 1.00 0.16 H new ATOM 0 HD11 LEU A 90 14.428 37.281 21.792 1.00 0.16 H new ATOM 0 HD12 LEU A 90 12.945 36.364 22.143 1.00 0.16 H new ATOM 0 HD13 LEU A 90 14.023 35.843 20.826 1.00 0.16 H new ATOM 0 HD21 LEU A 90 14.597 38.639 19.710 1.00 0.18 H new ATOM 0 HD22 LEU A 90 14.196 37.201 18.741 1.00 0.18 H new ATOM 0 HD23 LEU A 90 13.237 38.690 18.564 1.00 0.18 H new ATOM 830 N ASN A 91 8.755 36.429 19.054 1.00 0.13 N ATOM 831 CA ASN A 91 7.674 35.561 18.579 1.00 0.12 C ATOM 832 C ASN A 91 6.503 36.328 17.951 1.00 0.12 C ATOM 833 O ASN A 91 5.480 35.725 17.623 1.00 0.12 O ATOM 834 CB ASN A 91 7.148 34.713 19.740 1.00 0.13 C ATOM 835 CG ASN A 91 8.245 33.787 20.254 1.00 0.14 C ATOM 836 OD1 ASN A 91 8.138 32.566 20.142 1.00 0.15 O ATOM 837 ND2 ASN A 91 9.303 34.296 20.822 1.00 0.14 N ATOM 0 H ASN A 91 8.702 36.672 20.043 1.00 0.13 H new ATOM 0 HA ASN A 91 8.103 34.935 17.796 1.00 0.12 H new ATOM 0 HB2 ASN A 91 6.802 35.361 20.545 1.00 0.13 H new ATOM 0 HB3 ASN A 91 6.290 34.126 19.412 1.00 0.13 H new ATOM 0 HD21 ASN A 91 10.039 33.683 21.172 1.00 0.14 H new ATOM 0 HD22 ASN A 91 9.394 35.308 20.916 1.00 0.14 H new ATOM 844 N LYS A 92 6.630 37.644 17.789 1.00 0.14 N ATOM 845 CA LYS A 92 5.572 38.440 17.177 1.00 0.17 C ATOM 846 C LYS A 92 5.127 37.869 15.827 1.00 0.17 C ATOM 847 O LYS A 92 3.979 38.056 15.426 1.00 0.18 O ATOM 848 CB LYS A 92 6.037 39.896 17.034 1.00 0.21 C ATOM 849 CG LYS A 92 7.166 40.013 16.004 1.00 0.23 C ATOM 850 CD LYS A 92 7.692 41.449 15.984 1.00 0.64 C ATOM 851 CE LYS A 92 8.590 41.650 14.762 1.00 1.00 C ATOM 852 NZ LYS A 92 9.335 42.933 14.898 1.00 1.83 N ATOM 0 H LYS A 92 7.452 38.178 18.072 1.00 0.14 H new ATOM 0 HA LYS A 92 4.701 38.405 17.832 1.00 0.17 H new ATOM 0 HB2 LYS A 92 5.197 40.522 16.731 1.00 0.21 H new ATOM 0 HB3 LYS A 92 6.380 40.268 17.999 1.00 0.21 H new ATOM 0 HG2 LYS A 92 7.972 39.323 16.252 1.00 0.23 H new ATOM 0 HG3 LYS A 92 6.801 39.734 15.015 1.00 0.23 H new ATOM 0 HD2 LYS A 92 6.859 42.152 15.955 1.00 0.64 H new ATOM 0 HD3 LYS A 92 8.251 41.655 16.897 1.00 0.64 H new ATOM 0 HE2 LYS A 92 9.289 40.819 14.671 1.00 1.00 H new ATOM 0 HE3 LYS A 92 7.988 41.661 13.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 92 9.946 43.070 14.067 1.00 1.83 H new ATOM 0 HZ2 LYS A 92 8.660 43.721 14.965 1.00 1.83 H new ATOM 0 HZ3 LYS A 92 9.921 42.905 15.757 1.00 1.83 H new ATOM 866 N HIS A 93 6.034 37.196 15.120 1.00 0.18 N ATOM 867 CA HIS A 93 5.691 36.616 13.825 1.00 0.21 C ATOM 868 C HIS A 93 4.782 35.396 13.989 1.00 0.20 C ATOM 869 O HIS A 93 3.889 35.171 13.171 1.00 0.21 O ATOM 870 CB HIS A 93 6.962 36.248 13.050 1.00 0.27 C ATOM 871 CG HIS A 93 7.704 35.044 13.570 1.00 0.26 C ATOM 872 ND1 HIS A 93 8.644 35.124 14.587 1.00 0.22 N ATOM 873 CD2 HIS A 93 7.676 33.722 13.192 1.00 0.31 C ATOM 874 CE1 HIS A 93 9.141 33.890 14.780 1.00 0.26 C ATOM 875 NE2 HIS A 93 8.586 32.997 13.958 1.00 0.32 N ATOM 0 H HIS A 93 6.997 37.041 15.417 1.00 0.18 H new ATOM 0 HA HIS A 93 5.142 37.364 13.253 1.00 0.21 H new ATOM 0 HB2 HIS A 93 6.694 36.068 12.009 1.00 0.27 H new ATOM 0 HB3 HIS A 93 7.637 37.104 13.062 1.00 0.27 H new ATOM 0 HD1 HIS A 93 8.910 35.967 15.096 1.00 0.22 H new ATOM 0 HD2 HIS A 93 7.045 33.309 12.419 1.00 0.31 H new ATOM 0 HE1 HIS A 93 9.898 33.650 15.512 1.00 0.26 H new ATOM 883 N LEU A 94 5.006 34.614 15.043 1.00 0.18 N ATOM 884 CA LEU A 94 4.202 33.416 15.276 1.00 0.20 C ATOM 885 C LEU A 94 2.787 33.771 15.726 1.00 0.18 C ATOM 886 O LEU A 94 1.815 33.172 15.264 1.00 0.22 O ATOM 887 CB LEU A 94 4.861 32.541 16.347 1.00 0.20 C ATOM 888 CG LEU A 94 6.275 32.156 15.909 1.00 0.25 C ATOM 889 CD1 LEU A 94 6.960 31.378 17.034 1.00 0.26 C ATOM 890 CD2 LEU A 94 6.209 31.276 14.658 1.00 0.31 C ATOM 0 H LEU A 94 5.729 34.785 15.742 1.00 0.18 H new ATOM 0 HA LEU A 94 4.142 32.872 14.333 1.00 0.20 H new ATOM 0 HB2 LEU A 94 4.898 33.078 17.295 1.00 0.20 H new ATOM 0 HB3 LEU A 94 4.265 31.643 16.512 1.00 0.20 H new ATOM 0 HG LEU A 94 6.841 33.061 15.686 1.00 0.25 H new ATOM 0 HD11 LEU A 94 7.968 31.102 16.724 1.00 0.26 H new ATOM 0 HD12 LEU A 94 7.012 32.000 17.927 1.00 0.26 H new ATOM 0 HD13 LEU A 94 6.388 30.476 17.253 1.00 0.26 H new ATOM 0 HD21 LEU A 94 7.219 31.005 14.350 1.00 0.31 H new ATOM 0 HD22 LEU A 94 5.642 30.372 14.879 1.00 0.31 H new ATOM 0 HD23 LEU A 94 5.719 31.824 13.853 1.00 0.31 H new ATOM 902 N TYR A 95 2.673 34.743 16.629 1.00 0.15 N ATOM 903 CA TYR A 95 1.370 35.127 17.176 1.00 0.18 C ATOM 904 C TYR A 95 0.996 36.544 16.754 1.00 0.24 C ATOM 905 O TYR A 95 1.857 37.408 16.597 1.00 0.26 O ATOM 906 CB TYR A 95 1.404 35.035 18.702 1.00 0.17 C ATOM 907 CG TYR A 95 1.677 33.637 19.209 1.00 0.17 C ATOM 908 CD1 TYR A 95 0.636 32.703 19.272 1.00 0.18 C ATOM 909 CD2 TYR A 95 2.968 33.274 19.611 1.00 0.20 C ATOM 910 CE1 TYR A 95 0.886 31.407 19.739 1.00 0.22 C ATOM 911 CE2 TYR A 95 3.218 31.977 20.076 1.00 0.24 C ATOM 912 CZ TYR A 95 2.177 31.043 20.141 1.00 0.25 C ATOM 913 OH TYR A 95 2.418 29.764 20.601 1.00 0.32 O ATOM 0 H TYR A 95 3.461 35.277 16.996 1.00 0.15 H new ATOM 0 HA TYR A 95 0.618 34.443 16.784 1.00 0.18 H new ATOM 0 HB2 TYR A 95 2.171 35.709 19.083 1.00 0.17 H new ATOM 0 HB3 TYR A 95 0.450 35.380 19.102 1.00 0.17 H new ATOM 0 HD1 TYR A 95 -0.360 32.982 18.960 1.00 0.18 H new ATOM 0 HD2 TYR A 95 3.771 33.994 19.562 1.00 0.20 H new ATOM 0 HE1 TYR A 95 0.082 30.687 19.789 1.00 0.22 H new ATOM 0 HE2 TYR A 95 4.214 31.697 20.385 1.00 0.24 H new ATOM 0 HH TYR A 95 3.364 29.543 20.472 1.00 0.32 H new ATOM 923 N SER A 96 -0.302 36.773 16.588 1.00 0.30 N ATOM 924 CA SER A 96 -0.789 38.054 16.087 1.00 0.37 C ATOM 925 C SER A 96 -0.605 39.172 17.109 1.00 0.39 C ATOM 926 O SER A 96 -0.222 40.286 16.751 1.00 0.44 O ATOM 927 CB SER A 96 -2.271 37.938 15.725 1.00 0.43 C ATOM 928 OG SER A 96 -2.445 36.866 14.810 1.00 0.44 O ATOM 0 H SER A 96 -1.033 36.092 16.792 1.00 0.30 H new ATOM 0 HA SER A 96 -0.203 38.306 15.203 1.00 0.37 H new ATOM 0 HB2 SER A 96 -2.865 37.766 16.623 1.00 0.43 H new ATOM 0 HB3 SER A 96 -2.624 38.870 15.283 1.00 0.43 H new ATOM 0 HG SER A 96 -3.393 36.786 14.576 1.00 0.44 H new ATOM 934 N SER A 97 -0.876 38.876 18.377 1.00 0.37 N ATOM 935 CA SER A 97 -0.836 39.907 19.410 1.00 0.42 C ATOM 936 C SER A 97 -0.514 39.318 20.779 1.00 0.39 C ATOM 937 O SER A 97 -0.501 38.101 20.959 1.00 0.33 O ATOM 938 CB SER A 97 -2.182 40.630 19.472 1.00 0.48 C ATOM 939 OG SER A 97 -3.161 39.747 20.005 1.00 0.46 O ATOM 0 H SER A 97 -1.122 37.944 18.711 1.00 0.37 H new ATOM 0 HA SER A 97 -0.046 40.610 19.148 1.00 0.42 H new ATOM 0 HB2 SER A 97 -2.102 41.522 20.094 1.00 0.48 H new ATOM 0 HB3 SER A 97 -2.477 40.961 18.476 1.00 0.48 H new ATOM 0 HG SER A 97 -4.026 40.206 20.049 1.00 0.46 H new ATOM 945 N GLU A 98 -0.253 40.201 21.739 1.00 0.46 N ATOM 946 CA GLU A 98 0.069 39.780 23.100 1.00 0.46 C ATOM 947 C GLU A 98 -1.085 39.006 23.734 1.00 0.43 C ATOM 948 O GLU A 98 -0.863 38.074 24.508 1.00 0.41 O ATOM 949 CB GLU A 98 0.378 41.007 23.962 1.00 0.56 C ATOM 950 CG GLU A 98 1.630 41.712 23.428 1.00 0.61 C ATOM 951 CD GLU A 98 2.028 42.905 24.303 1.00 1.25 C ATOM 952 OE1 GLU A 98 1.253 43.301 25.162 1.00 1.41 O ATOM 953 OE2 GLU A 98 3.114 43.420 24.091 1.00 1.96 O ATOM 0 H GLU A 98 -0.258 41.212 21.600 1.00 0.46 H new ATOM 0 HA GLU A 98 0.939 39.125 23.048 1.00 0.46 H new ATOM 0 HB2 GLU A 98 -0.469 41.693 23.952 1.00 0.56 H new ATOM 0 HB3 GLU A 98 0.533 40.706 24.998 1.00 0.56 H new ATOM 0 HG2 GLU A 98 2.456 41.002 23.384 1.00 0.61 H new ATOM 0 HG3 GLU A 98 1.448 42.053 22.409 1.00 0.61 H new ATOM 960 N SER A 99 -2.318 39.382 23.406 1.00 0.45 N ATOM 961 CA SER A 99 -3.486 38.745 24.007 1.00 0.45 C ATOM 962 C SER A 99 -3.454 37.235 23.789 1.00 0.38 C ATOM 963 O SER A 99 -3.714 36.457 24.708 1.00 0.38 O ATOM 964 CB SER A 99 -4.766 39.321 23.400 1.00 0.50 C ATOM 965 OG SER A 99 -5.887 38.833 24.124 1.00 0.52 O ATOM 0 H SER A 99 -2.533 40.118 22.733 1.00 0.45 H new ATOM 0 HA SER A 99 -3.468 38.944 25.079 1.00 0.45 H new ATOM 0 HB2 SER A 99 -4.741 40.410 23.435 1.00 0.50 H new ATOM 0 HB3 SER A 99 -4.844 39.038 22.350 1.00 0.50 H new ATOM 0 HG SER A 99 -6.710 39.201 23.740 1.00 0.52 H new ATOM 971 N GLU A 100 -3.096 36.821 22.579 1.00 0.33 N ATOM 972 CA GLU A 100 -3.038 35.399 22.258 1.00 0.27 C ATOM 973 C GLU A 100 -2.010 34.676 23.129 1.00 0.23 C ATOM 974 O GLU A 100 -2.215 33.521 23.502 1.00 0.21 O ATOM 975 CB GLU A 100 -2.708 35.212 20.776 1.00 0.24 C ATOM 976 CG GLU A 100 -3.873 35.751 19.937 1.00 0.30 C ATOM 977 CD GLU A 100 -3.647 35.533 18.440 1.00 0.31 C ATOM 978 OE1 GLU A 100 -2.526 35.253 18.043 1.00 0.27 O ATOM 979 OE2 GLU A 100 -4.604 35.683 17.700 1.00 0.36 O ATOM 0 H GLU A 100 -2.844 37.442 21.810 1.00 0.33 H new ATOM 0 HA GLU A 100 -4.015 34.962 22.464 1.00 0.27 H new ATOM 0 HB2 GLU A 100 -1.787 35.739 20.525 1.00 0.24 H new ATOM 0 HB3 GLU A 100 -2.542 34.157 20.557 1.00 0.24 H new ATOM 0 HG2 GLU A 100 -4.797 35.258 20.240 1.00 0.30 H new ATOM 0 HG3 GLU A 100 -4.000 36.816 20.134 1.00 0.30 H new ATOM 986 N MET A 101 -0.910 35.352 23.453 1.00 0.25 N ATOM 987 CA MET A 101 0.106 34.760 24.320 1.00 0.26 C ATOM 988 C MET A 101 -0.452 34.521 25.721 1.00 0.31 C ATOM 989 O MET A 101 -0.307 33.436 26.282 1.00 0.31 O ATOM 990 CB MET A 101 1.323 35.683 24.407 1.00 0.29 C ATOM 991 CG MET A 101 1.985 35.792 23.033 1.00 0.26 C ATOM 992 SD MET A 101 3.537 36.712 23.183 1.00 0.32 S ATOM 993 CE MET A 101 4.494 35.424 24.020 1.00 0.34 C ATOM 0 H MET A 101 -0.701 36.298 23.133 1.00 0.25 H new ATOM 0 HA MET A 101 0.404 33.803 23.892 1.00 0.26 H new ATOM 0 HB2 MET A 101 1.019 36.670 24.754 1.00 0.29 H new ATOM 0 HB3 MET A 101 2.035 35.294 25.135 1.00 0.29 H new ATOM 0 HG2 MET A 101 2.177 34.798 22.630 1.00 0.26 H new ATOM 0 HG3 MET A 101 1.317 36.296 22.334 1.00 0.26 H new ATOM 0 HE1 MET A 101 5.480 35.347 23.561 1.00 0.34 H new ATOM 0 HE2 MET A 101 4.604 35.679 25.074 1.00 0.34 H new ATOM 0 HE3 MET A 101 3.976 34.469 23.930 1.00 0.34 H new ATOM 1003 N MET A 102 -1.142 35.519 26.262 1.00 0.37 N ATOM 1004 CA MET A 102 -1.693 35.415 27.610 1.00 0.44 C ATOM 1005 C MET A 102 -2.663 34.240 27.721 1.00 0.41 C ATOM 1006 O MET A 102 -2.702 33.550 28.739 1.00 0.44 O ATOM 1007 CB MET A 102 -2.430 36.709 27.971 1.00 0.52 C ATOM 1008 CG MET A 102 -1.468 37.903 27.956 1.00 0.57 C ATOM 1009 SD MET A 102 -0.128 37.662 29.150 1.00 1.38 S ATOM 1010 CE MET A 102 -1.146 37.633 30.648 1.00 1.82 C ATOM 0 H MET A 102 -1.333 36.404 25.792 1.00 0.37 H new ATOM 0 HA MET A 102 -0.865 35.251 28.300 1.00 0.44 H new ATOM 0 HB2 MET A 102 -3.241 36.881 27.264 1.00 0.52 H new ATOM 0 HB3 MET A 102 -2.882 36.612 28.958 1.00 0.52 H new ATOM 0 HG2 MET A 102 -1.052 38.029 26.956 1.00 0.57 H new ATOM 0 HG3 MET A 102 -2.012 38.817 28.192 1.00 0.57 H new ATOM 0 HE1 MET A 102 -0.547 37.952 31.501 1.00 1.82 H new ATOM 0 HE2 MET A 102 -1.992 38.309 30.526 1.00 1.82 H new ATOM 0 HE3 MET A 102 -1.512 36.621 30.820 1.00 1.82 H new ATOM 1020 N LYS A 103 -3.443 34.017 26.668 1.00 0.35 N ATOM 1021 CA LYS A 103 -4.434 32.941 26.668 1.00 0.33 C ATOM 1022 C LYS A 103 -3.878 31.621 26.118 1.00 0.25 C ATOM 1023 O LYS A 103 -4.650 30.720 25.786 1.00 0.23 O ATOM 1024 CB LYS A 103 -5.642 33.360 25.828 1.00 0.35 C ATOM 1025 CG LYS A 103 -6.318 34.573 26.471 1.00 0.47 C ATOM 1026 CD LYS A 103 -7.588 34.923 25.693 1.00 1.03 C ATOM 1027 CE LYS A 103 -8.198 36.207 26.258 1.00 1.45 C ATOM 1028 NZ LYS A 103 -9.604 36.340 25.781 1.00 2.15 N ATOM 0 H LYS A 103 -3.410 34.563 25.807 1.00 0.35 H new ATOM 0 HA LYS A 103 -4.720 32.770 27.706 1.00 0.33 H new ATOM 0 HB2 LYS A 103 -5.326 33.602 24.813 1.00 0.35 H new ATOM 0 HB3 LYS A 103 -6.349 32.534 25.753 1.00 0.35 H new ATOM 0 HG2 LYS A 103 -6.564 34.357 27.511 1.00 0.47 H new ATOM 0 HG3 LYS A 103 -5.636 35.423 26.475 1.00 0.47 H new ATOM 0 HD2 LYS A 103 -7.355 35.053 24.636 1.00 1.03 H new ATOM 0 HD3 LYS A 103 -8.306 34.106 25.763 1.00 1.03 H new ATOM 0 HE2 LYS A 103 -8.173 36.186 27.347 1.00 1.45 H new ATOM 0 HE3 LYS A 103 -7.612 37.070 25.942 1.00 1.45 H new ATOM 0 HZ1 LYS A 103 -10.020 37.213 26.165 1.00 2.15 H new ATOM 0 HZ2 LYS A 103 -9.616 36.379 24.742 1.00 2.15 H new ATOM 0 HZ3 LYS A 103 -10.159 35.522 26.103 1.00 2.15 H new ATOM 1042 N ALA A 104 -2.555 31.493 26.016 1.00 0.23 N ATOM 1043 CA ALA A 104 -1.946 30.278 25.484 1.00 0.18 C ATOM 1044 C ALA A 104 -2.438 29.041 26.229 1.00 0.20 C ATOM 1045 O ALA A 104 -2.691 29.085 27.433 1.00 0.25 O ATOM 1046 CB ALA A 104 -0.422 30.369 25.598 1.00 0.23 C ATOM 0 H ALA A 104 -1.889 32.213 26.294 1.00 0.23 H new ATOM 0 HA ALA A 104 -2.235 30.186 24.437 1.00 0.18 H new ATOM 0 HB1 ALA A 104 0.028 29.460 25.200 1.00 0.23 H new ATOM 0 HB2 ALA A 104 -0.065 31.229 25.031 1.00 0.23 H new ATOM 0 HB3 ALA A 104 -0.142 30.484 26.645 1.00 0.23 H new ATOM 1052 N ALA A 105 -2.569 27.938 25.497 1.00 0.17 N ATOM 1053 CA ALA A 105 -3.045 26.683 26.072 1.00 0.19 C ATOM 1054 C ALA A 105 -2.045 25.554 25.811 1.00 0.18 C ATOM 1055 O ALA A 105 -1.112 25.733 25.027 1.00 0.17 O ATOM 1056 CB ALA A 105 -4.399 26.315 25.461 1.00 0.21 C ATOM 0 H ALA A 105 -2.352 27.888 24.502 1.00 0.17 H new ATOM 0 HA ALA A 105 -3.151 26.816 27.149 1.00 0.19 H new ATOM 0 HB1 ALA A 105 -4.750 25.378 25.893 1.00 0.21 H new ATOM 0 HB2 ALA A 105 -5.120 27.105 25.672 1.00 0.21 H new ATOM 0 HB3 ALA A 105 -4.292 26.200 24.382 1.00 0.21 H new ATOM 1062 N PRO A 106 -2.207 24.405 26.435 1.00 0.20 N ATOM 1063 CA PRO A 106 -1.251 23.270 26.244 1.00 0.21 C ATOM 1064 C PRO A 106 -1.164 22.818 24.789 1.00 0.20 C ATOM 1065 O PRO A 106 -2.151 22.861 24.054 1.00 0.21 O ATOM 1066 CB PRO A 106 -1.798 22.143 27.132 1.00 0.23 C ATOM 1067 CG PRO A 106 -2.725 22.802 28.093 1.00 0.25 C ATOM 1068 CD PRO A 106 -3.281 24.029 27.377 1.00 0.24 C ATOM 0 HA PRO A 106 -0.236 23.564 26.512 1.00 0.21 H new ATOM 0 HB2 PRO A 106 -2.319 21.393 26.537 1.00 0.23 H new ATOM 0 HB3 PRO A 106 -0.991 21.630 27.655 1.00 0.23 H new ATOM 0 HG2 PRO A 106 -3.528 22.125 28.385 1.00 0.25 H new ATOM 0 HG3 PRO A 106 -2.201 23.088 29.005 1.00 0.25 H new ATOM 0 HD2 PRO A 106 -4.210 23.800 26.854 1.00 0.24 H new ATOM 0 HD3 PRO A 106 -3.500 24.836 28.077 1.00 0.24 H new ATOM 1076 N GLY A 107 0.025 22.384 24.379 1.00 0.20 N ATOM 1077 CA GLY A 107 0.224 21.875 23.023 1.00 0.21 C ATOM 1078 C GLY A 107 0.925 22.875 22.097 1.00 0.19 C ATOM 1079 O GLY A 107 1.432 22.482 21.047 1.00 0.20 O ATOM 0 H GLY A 107 0.862 22.374 24.962 1.00 0.20 H new ATOM 0 HA2 GLY A 107 0.813 20.959 23.069 1.00 0.21 H new ATOM 0 HA3 GLY A 107 -0.743 21.611 22.596 1.00 0.21 H new ATOM 1083 N GLN A 108 0.960 24.154 22.473 1.00 0.18 N ATOM 1084 CA GLN A 108 1.584 25.168 21.626 1.00 0.17 C ATOM 1085 C GLN A 108 3.079 25.263 21.907 1.00 0.15 C ATOM 1086 O GLN A 108 3.547 24.853 22.968 1.00 0.15 O ATOM 1087 CB GLN A 108 0.915 26.526 21.838 1.00 0.16 C ATOM 1088 CG GLN A 108 -0.535 26.448 21.356 1.00 0.18 C ATOM 1089 CD GLN A 108 -1.204 27.812 21.479 1.00 0.18 C ATOM 1090 OE1 GLN A 108 -1.663 28.179 22.559 1.00 0.18 O ATOM 1091 NE2 GLN A 108 -1.289 28.585 20.432 1.00 0.21 N ATOM 0 H GLN A 108 0.569 24.508 23.346 1.00 0.18 H new ATOM 0 HA GLN A 108 1.450 24.872 20.586 1.00 0.17 H new ATOM 0 HB2 GLN A 108 0.947 26.801 22.892 1.00 0.16 H new ATOM 0 HB3 GLN A 108 1.453 27.300 21.290 1.00 0.16 H new ATOM 0 HG2 GLN A 108 -0.564 26.113 20.319 1.00 0.18 H new ATOM 0 HG3 GLN A 108 -1.083 25.712 21.944 1.00 0.18 H new ATOM 0 HE21 GLN A 108 -0.907 28.277 19.538 1.00 0.21 H new ATOM 0 HE22 GLN A 108 -1.738 29.498 20.507 1.00 0.21 H new ATOM 1100 N GLN A 109 3.828 25.791 20.942 1.00 0.15 N ATOM 1101 CA GLN A 109 5.281 25.881 21.069 1.00 0.15 C ATOM 1102 C GLN A 109 5.741 27.332 21.174 1.00 0.15 C ATOM 1103 O GLN A 109 5.107 28.244 20.643 1.00 0.16 O ATOM 1104 CB GLN A 109 5.945 25.227 19.855 1.00 0.17 C ATOM 1105 CG GLN A 109 5.612 23.732 19.831 1.00 0.21 C ATOM 1106 CD GLN A 109 6.194 23.072 18.584 1.00 0.65 C ATOM 1107 OE1 GLN A 109 6.530 23.750 17.611 1.00 1.24 O ATOM 1108 NE2 GLN A 109 6.333 21.775 18.553 1.00 1.08 N ATOM 0 H GLN A 109 3.456 26.161 20.068 1.00 0.15 H new ATOM 0 HA GLN A 109 5.572 25.361 21.982 1.00 0.15 H new ATOM 0 HB2 GLN A 109 5.597 25.702 18.938 1.00 0.17 H new ATOM 0 HB3 GLN A 109 7.025 25.369 19.898 1.00 0.17 H new ATOM 0 HG2 GLN A 109 6.011 23.251 20.724 1.00 0.21 H new ATOM 0 HG3 GLN A 109 4.531 23.594 19.851 1.00 0.21 H new ATOM 0 HE21 GLN A 109 6.055 21.213 19.358 1.00 1.08 H new ATOM 0 HE22 GLN A 109 6.719 21.323 17.724 1.00 1.08 H new ATOM 1117 N ILE A 110 6.834 27.528 21.906 1.00 0.14 N ATOM 1118 CA ILE A 110 7.468 28.837 22.028 1.00 0.15 C ATOM 1119 C ILE A 110 8.934 28.730 21.613 1.00 0.15 C ATOM 1120 O ILE A 110 9.622 27.785 21.998 1.00 0.16 O ATOM 1121 CB ILE A 110 7.354 29.330 23.476 1.00 0.17 C ATOM 1122 CG1 ILE A 110 5.873 29.441 23.853 1.00 0.18 C ATOM 1123 CG2 ILE A 110 8.024 30.699 23.630 1.00 0.18 C ATOM 1124 CD1 ILE A 110 5.738 29.736 25.349 1.00 0.22 C ATOM 0 H ILE A 110 7.303 26.788 22.429 1.00 0.14 H new ATOM 0 HA ILE A 110 6.968 29.553 21.375 1.00 0.15 H new ATOM 0 HB ILE A 110 7.855 28.620 24.134 1.00 0.17 H new ATOM 0 HG12 ILE A 110 5.399 30.233 23.273 1.00 0.18 H new ATOM 0 HG13 ILE A 110 5.356 28.513 23.608 1.00 0.18 H new ATOM 0 HG21 ILE A 110 7.934 31.034 24.663 1.00 0.18 H new ATOM 0 HG22 ILE A 110 9.078 30.620 23.365 1.00 0.18 H new ATOM 0 HG23 ILE A 110 7.537 31.418 22.972 1.00 0.18 H new ATOM 0 HD11 ILE A 110 4.683 29.814 25.611 1.00 0.22 H new ATOM 0 HD12 ILE A 110 6.195 28.929 25.922 1.00 0.22 H new ATOM 0 HD13 ILE A 110 6.240 30.675 25.581 1.00 0.22 H new ATOM 1136 N ILE A 111 9.411 29.701 20.838 1.00 0.15 N ATOM 1137 CA ILE A 111 10.805 29.695 20.394 1.00 0.15 C ATOM 1138 C ILE A 111 11.599 30.761 21.144 1.00 0.16 C ATOM 1139 O ILE A 111 11.162 31.905 21.262 1.00 0.17 O ATOM 1140 CB ILE A 111 10.891 29.955 18.884 1.00 0.17 C ATOM 1141 CG1 ILE A 111 10.037 28.930 18.131 1.00 0.18 C ATOM 1142 CG2 ILE A 111 12.346 29.825 18.421 1.00 0.18 C ATOM 1143 CD1 ILE A 111 9.989 29.296 16.645 1.00 0.21 C ATOM 0 H ILE A 111 8.861 30.494 20.507 1.00 0.15 H new ATOM 0 HA ILE A 111 11.229 28.714 20.607 1.00 0.15 H new ATOM 0 HB ILE A 111 10.525 30.961 18.677 1.00 0.17 H new ATOM 0 HG12 ILE A 111 10.454 27.931 18.257 1.00 0.18 H new ATOM 0 HG13 ILE A 111 9.028 28.908 18.544 1.00 0.18 H new ATOM 0 HG21 ILE A 111 12.404 30.010 17.348 1.00 0.18 H new ATOM 0 HG22 ILE A 111 12.962 30.553 18.949 1.00 0.18 H new ATOM 0 HG23 ILE A 111 12.708 28.819 18.636 1.00 0.18 H new ATOM 0 HD11 ILE A 111 9.381 28.566 16.110 1.00 0.21 H new ATOM 0 HD12 ILE A 111 9.552 30.288 16.528 1.00 0.21 H new ATOM 0 HD13 ILE A 111 11.000 29.295 16.237 1.00 0.21 H new ATOM 1155 N LEU A 112 12.766 30.376 21.648 1.00 0.17 N ATOM 1156 CA LEU A 112 13.661 31.315 22.314 1.00 0.20 C ATOM 1157 C LEU A 112 14.959 31.450 21.515 1.00 0.22 C ATOM 1158 O LEU A 112 15.887 30.667 21.722 1.00 0.26 O ATOM 1159 CB LEU A 112 13.980 30.818 23.725 1.00 0.26 C ATOM 1160 CG LEU A 112 12.696 30.776 24.555 1.00 0.30 C ATOM 1161 CD1 LEU A 112 12.865 29.785 25.708 1.00 0.35 C ATOM 1162 CD2 LEU A 112 12.410 32.170 25.120 1.00 0.37 C ATOM 0 H LEU A 112 13.115 29.418 21.608 1.00 0.17 H new ATOM 0 HA LEU A 112 13.172 32.287 22.376 1.00 0.20 H new ATOM 0 HB2 LEU A 112 14.429 29.826 23.679 1.00 0.26 H new ATOM 0 HB3 LEU A 112 14.709 31.476 24.197 1.00 0.26 H new ATOM 0 HG LEU A 112 11.865 30.460 23.924 1.00 0.30 H new ATOM 0 HD11 LEU A 112 11.950 29.755 26.299 1.00 0.35 H new ATOM 0 HD12 LEU A 112 13.071 28.792 25.307 1.00 0.35 H new ATOM 0 HD13 LEU A 112 13.695 30.100 26.340 1.00 0.35 H new ATOM 0 HD21 LEU A 112 11.495 32.142 25.712 1.00 0.37 H new ATOM 0 HD22 LEU A 112 13.241 32.484 25.751 1.00 0.37 H new ATOM 0 HD23 LEU A 112 12.290 32.877 24.300 1.00 0.37 H new ATOM 1174 N PRO A 113 15.029 32.364 20.571 1.00 0.25 N ATOM 1175 CA PRO A 113 16.275 32.588 19.787 1.00 0.34 C ATOM 1176 C PRO A 113 17.154 33.676 20.398 1.00 0.48 C ATOM 1177 O PRO A 113 16.779 34.848 20.419 1.00 0.69 O ATOM 1178 CB PRO A 113 15.737 33.026 18.427 1.00 0.46 C ATOM 1179 CG PRO A 113 14.479 33.773 18.732 1.00 0.47 C ATOM 1180 CD PRO A 113 13.961 33.258 20.080 1.00 0.27 C ATOM 0 HA PRO A 113 16.913 31.705 19.750 1.00 0.34 H new ATOM 0 HB2 PRO A 113 16.454 33.658 17.904 1.00 0.46 H new ATOM 0 HB3 PRO A 113 15.541 32.167 17.785 1.00 0.46 H new ATOM 0 HG2 PRO A 113 14.670 34.845 18.777 1.00 0.47 H new ATOM 0 HG3 PRO A 113 13.738 33.614 17.949 1.00 0.47 H new ATOM 0 HD2 PRO A 113 13.780 34.078 20.775 1.00 0.27 H new ATOM 0 HD3 PRO A 113 13.018 32.723 19.965 1.00 0.27 H new