USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 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 177:sc= 0.25 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 -90:sc= 0.0582 USER MOD Single : A 77 SER OG : rot -53:sc= 0.701 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.619 K(o=-0.62,f=-4.3!) USER MOD Single : A 83 ASN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0364 USER MOD Single : A 89 SER OG : rot -69:sc= 1.21 USER MOD Single : A 91 ASN : amide:sc= -1.35 K(o=-1.3,f=-4.4!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HE2:sc= -2.79 K(o=-2.8,f=-5.3!) USER MOD Single : A 95 TYR OH : rot 145:sc= 0.222 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 -114:sc= -0.16 (180deg=-1.48) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.158 K(o=-0.16,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 16.694 27.485 20.699 1.00 15.00 N ATOM 386 CA LEU A 63 16.168 26.517 21.659 1.00 15.00 C ATOM 387 C LEU A 63 14.645 26.476 21.597 1.00 15.00 C ATOM 388 O LEU A 63 13.986 27.513 21.651 1.00 15.00 O ATOM 389 CB LEU A 63 16.612 26.893 23.075 1.00 15.00 C ATOM 390 CG LEU A 63 16.197 25.793 24.053 1.00 15.00 C ATOM 391 CD1 LEU A 63 17.073 24.557 23.832 1.00 15.00 C ATOM 392 CD2 LEU A 63 16.378 26.293 25.488 1.00 15.00 C ATOM 0 HA LEU A 63 16.558 25.531 21.405 1.00 15.00 H new ATOM 0 HB2 LEU A 63 17.693 27.030 23.104 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.163 27.842 23.368 1.00 15.00 H new ATOM 0 HG LEU A 63 15.152 25.534 23.886 1.00 15.00 H new ATOM 0 HD11 LEU A 63 16.778 23.773 24.529 1.00 15.00 H new ATOM 0 HD12 LEU A 63 16.948 24.200 22.810 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.118 24.817 24.000 1.00 15.00 H new ATOM 0 HD21 LEU A 63 16.082 25.510 26.186 1.00 15.00 H new ATOM 0 HD22 LEU A 63 17.424 26.551 25.654 1.00 15.00 H new ATOM 0 HD23 LEU A 63 15.757 27.174 25.647 1.00 15.00 H new ATOM 404 N PHE A 64 14.093 25.275 21.451 1.00 15.00 N ATOM 405 CA PHE A 64 12.644 25.110 21.422 1.00 15.00 C ATOM 406 C PHE A 64 12.113 24.725 22.801 1.00 15.00 C ATOM 407 O PHE A 64 12.636 23.815 23.443 1.00 15.00 O ATOM 408 CB PHE A 64 12.262 24.029 20.410 1.00 15.00 C ATOM 409 CG PHE A 64 12.617 24.386 18.985 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.751 25.183 18.228 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.810 23.918 18.424 1.00 15.00 C ATOM 412 CE1 PHE A 64 12.080 25.513 16.907 1.00 15.00 C ATOM 413 CE2 PHE A 64 14.139 24.248 17.103 1.00 15.00 C ATOM 414 CZ PHE A 64 13.273 25.046 16.345 1.00 15.00 C ATOM 0 H PHE A 64 14.622 24.409 21.352 1.00 15.00 H new ATOM 0 HA PHE A 64 12.199 26.061 21.128 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.762 23.098 20.678 1.00 15.00 H new ATOM 0 HB3 PHE A 64 11.190 23.845 20.474 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.830 25.543 18.662 1.00 15.00 H new ATOM 0 HD2 PHE A 64 14.477 23.302 19.009 1.00 15.00 H new ATOM 0 HE1 PHE A 64 11.412 26.128 16.322 1.00 15.00 H new ATOM 0 HE2 PHE A 64 15.060 23.887 16.669 1.00 15.00 H new ATOM 0 HZ PHE A 64 13.526 25.301 15.327 1.00 15.00 H new ATOM 424 N TYR A 65 11.073 25.423 23.254 1.00 15.00 N ATOM 425 CA TYR A 65 10.421 25.084 24.517 1.00 15.00 C ATOM 426 C TYR A 65 8.939 24.824 24.271 1.00 15.00 C ATOM 427 O TYR A 65 8.318 25.490 23.445 1.00 15.00 O ATOM 428 CB TYR A 65 10.585 26.232 25.516 1.00 15.00 C ATOM 429 CG TYR A 65 10.209 25.855 26.930 1.00 15.00 C ATOM 430 CD1 TYR A 65 11.147 25.225 27.755 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.926 26.136 27.416 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.805 24.874 29.066 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.583 25.784 28.728 1.00 15.00 C ATOM 434 CZ TYR A 65 9.523 25.154 29.553 1.00 15.00 C ATOM 435 OH TYR A 65 9.189 24.806 30.847 1.00 15.00 O ATOM 0 H TYR A 65 10.666 26.222 22.768 1.00 15.00 H new ATOM 0 HA TYR A 65 10.884 24.187 24.929 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.621 26.571 25.501 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.970 27.073 25.196 1.00 15.00 H new ATOM 0 HD1 TYR A 65 12.136 25.009 27.380 1.00 15.00 H new ATOM 0 HD2 TYR A 65 8.202 26.623 26.780 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.530 24.387 29.702 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.593 25.999 29.103 1.00 15.00 H new ATOM 0 HH TYR A 65 8.280 25.114 31.044 1.00 15.00 H new ATOM 445 N THR A 66 8.371 23.852 24.981 1.00 15.00 N ATOM 446 CA THR A 66 6.976 23.469 24.764 1.00 15.00 C ATOM 447 C THR A 66 6.105 23.862 25.955 1.00 15.00 C ATOM 448 O THR A 66 6.528 23.770 27.107 1.00 15.00 O ATOM 449 CB THR A 66 6.881 21.959 24.542 1.00 15.00 C ATOM 450 OG1 THR A 66 7.775 21.578 23.506 1.00 15.00 O ATOM 451 CG2 THR A 66 5.451 21.586 24.146 1.00 15.00 C ATOM 0 H THR A 66 8.850 23.318 25.706 1.00 15.00 H new ATOM 0 HA THR A 66 6.614 23.997 23.882 1.00 15.00 H new ATOM 0 HB THR A 66 7.147 21.440 25.463 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.717 20.610 23.363 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.386 20.509 23.988 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.765 21.878 24.941 1.00 15.00 H new ATOM 0 HG23 THR A 66 5.181 22.104 23.226 1.00 15.00 H new ATOM 459 N LEU A 67 4.885 24.300 25.659 1.00 15.00 N ATOM 460 CA LEU A 67 3.934 24.671 26.699 1.00 15.00 C ATOM 461 C LEU A 67 3.182 23.443 27.202 1.00 15.00 C ATOM 462 O LEU A 67 2.535 22.743 26.424 1.00 15.00 O ATOM 463 CB LEU A 67 2.931 25.682 26.135 1.00 15.00 C ATOM 464 CG LEU A 67 3.643 26.998 25.812 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.687 27.920 25.052 1.00 15.00 C ATOM 466 CD2 LEU A 67 4.072 27.679 27.116 1.00 15.00 C ATOM 0 H LEU A 67 4.533 24.406 24.708 1.00 15.00 H new ATOM 0 HA LEU A 67 4.482 25.113 27.531 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.464 25.281 25.235 1.00 15.00 H new ATOM 0 HB3 LEU A 67 2.134 25.858 26.857 1.00 15.00 H new ATOM 0 HG LEU A 67 4.521 26.795 25.199 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.192 28.858 24.821 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.376 27.438 24.125 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.810 28.122 25.667 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.579 28.616 26.887 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.192 27.882 27.727 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.750 27.024 27.663 1.00 15.00 H new ATOM 478 N LYS A 68 3.247 23.210 28.510 1.00 15.00 N ATOM 479 CA LYS A 68 2.579 22.061 29.119 1.00 15.00 C ATOM 480 C LYS A 68 1.566 22.521 30.163 1.00 15.00 C ATOM 481 O LYS A 68 1.763 23.533 30.835 1.00 15.00 O ATOM 482 CB LYS A 68 3.613 21.149 29.781 1.00 15.00 C ATOM 483 CG LYS A 68 4.551 20.579 28.715 1.00 15.00 C ATOM 484 CD LYS A 68 5.667 19.778 29.390 1.00 15.00 C ATOM 485 CE LYS A 68 5.078 18.515 30.022 1.00 15.00 C ATOM 486 NZ LYS A 68 6.175 17.553 30.322 1.00 15.00 N ATOM 0 H LYS A 68 3.755 23.800 29.169 1.00 15.00 H new ATOM 0 HA LYS A 68 2.055 21.512 28.336 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.185 21.708 30.522 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.112 20.338 30.310 1.00 15.00 H new ATOM 0 HG2 LYS A 68 3.994 19.940 28.030 1.00 15.00 H new ATOM 0 HG3 LYS A 68 4.978 21.387 28.121 1.00 15.00 H new ATOM 0 HD2 LYS A 68 6.430 19.510 28.659 1.00 15.00 H new ATOM 0 HD3 LYS A 68 6.155 20.385 30.152 1.00 15.00 H new ATOM 0 HE2 LYS A 68 4.542 18.769 30.937 1.00 15.00 H new ATOM 0 HE3 LYS A 68 4.355 18.060 29.345 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 5.776 16.694 30.752 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 6.668 17.303 29.441 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 6.849 17.990 30.983 1.00 15.00 H new ATOM 500 N THR A 69 0.490 21.756 30.319 1.00 15.00 N ATOM 501 CA THR A 69 -0.562 22.114 31.269 1.00 15.00 C ATOM 502 C THR A 69 0.011 22.332 32.667 1.00 15.00 C ATOM 503 O THR A 69 0.841 21.554 33.139 1.00 15.00 O ATOM 504 CB THR A 69 -1.620 21.008 31.314 1.00 15.00 C ATOM 505 OG1 THR A 69 -2.616 21.351 32.267 1.00 15.00 O ATOM 506 CG2 THR A 69 -0.967 19.683 31.711 1.00 15.00 C ATOM 0 H THR A 69 0.322 20.891 29.805 1.00 15.00 H new ATOM 0 HA THR A 69 -1.019 23.046 30.935 1.00 15.00 H new ATOM 0 HB THR A 69 -2.075 20.901 30.329 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.296 20.646 32.297 1.00 15.00 H new ATOM 0 HG21 THR A 69 -1.724 18.899 31.742 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.202 19.421 30.980 1.00 15.00 H new ATOM 0 HG23 THR A 69 -0.509 19.784 32.695 1.00 15.00 H new ATOM 514 N GLY A 70 -0.441 23.397 33.323 1.00 15.00 N ATOM 515 CA GLY A 70 0.036 23.727 34.665 1.00 15.00 C ATOM 516 C GLY A 70 0.955 24.952 34.669 1.00 15.00 C ATOM 517 O GLY A 70 1.047 25.651 35.677 1.00 15.00 O ATOM 0 H GLY A 70 -1.135 24.045 32.950 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -0.818 23.914 35.316 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.571 22.872 35.079 1.00 15.00 H new ATOM 521 N GLU A 71 1.632 25.216 33.551 1.00 15.00 N ATOM 522 CA GLU A 71 2.531 26.361 33.462 1.00 15.00 C ATOM 523 C GLU A 71 1.925 27.452 32.585 1.00 15.00 C ATOM 524 O GLU A 71 1.247 27.164 31.599 1.00 15.00 O ATOM 525 CB GLU A 71 3.874 25.927 32.871 1.00 15.00 C ATOM 526 CG GLU A 71 4.874 27.085 32.972 1.00 15.00 C ATOM 527 CD GLU A 71 6.212 26.746 32.307 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.346 25.670 31.741 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.101 27.580 32.378 1.00 15.00 O ATOM 0 H GLU A 71 1.574 24.655 32.701 1.00 15.00 H new ATOM 0 HA GLU A 71 2.683 26.755 34.467 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.254 25.056 33.405 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.747 25.632 31.829 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.450 27.972 32.502 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.042 27.329 34.021 1.00 15.00 H new ATOM 536 N THR A 72 2.176 28.707 32.950 1.00 15.00 N ATOM 537 CA THR A 72 1.676 29.843 32.178 1.00 15.00 C ATOM 538 C THR A 72 2.838 30.613 31.560 1.00 15.00 C ATOM 539 O THR A 72 3.980 30.495 32.005 1.00 15.00 O ATOM 540 CB THR A 72 0.866 30.780 33.078 1.00 15.00 C ATOM 541 OG1 THR A 72 1.716 31.324 34.078 1.00 15.00 O ATOM 542 CG2 THR A 72 -0.279 30.008 33.738 1.00 15.00 C ATOM 0 H THR A 72 2.721 28.963 33.773 1.00 15.00 H new ATOM 0 HA THR A 72 1.033 29.463 31.384 1.00 15.00 H new ATOM 0 HB THR A 72 0.449 31.587 32.476 1.00 15.00 H new ATOM 0 HG1 THR A 72 1.706 30.743 34.867 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.851 30.681 34.377 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.932 29.596 32.968 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.129 29.196 34.340 1.00 15.00 H new ATOM 550 N VAL A 73 2.542 31.417 30.544 1.00 15.00 N ATOM 551 CA VAL A 73 3.583 32.171 29.852 1.00 15.00 C ATOM 552 C VAL A 73 4.343 33.056 30.841 1.00 15.00 C ATOM 553 O VAL A 73 5.573 33.099 30.829 1.00 15.00 O ATOM 554 CB VAL A 73 2.958 33.032 28.746 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.050 33.782 27.976 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.188 32.137 27.772 1.00 15.00 C ATOM 0 H VAL A 73 1.599 31.563 30.183 1.00 15.00 H new ATOM 0 HA VAL A 73 4.285 31.469 29.402 1.00 15.00 H new ATOM 0 HB VAL A 73 2.281 33.752 29.205 1.00 15.00 H new ATOM 0 HG11 VAL A 73 3.593 34.389 27.194 1.00 15.00 H new ATOM 0 HG12 VAL A 73 4.600 34.427 28.661 1.00 15.00 H new ATOM 0 HG13 VAL A 73 4.735 33.064 27.524 1.00 15.00 H new ATOM 0 HG21 VAL A 73 1.745 32.750 26.987 1.00 15.00 H new ATOM 0 HG22 VAL A 73 2.870 31.414 27.326 1.00 15.00 H new ATOM 0 HG23 VAL A 73 1.400 31.609 28.309 1.00 15.00 H new ATOM 566 N ALA A 74 3.607 33.732 31.717 1.00 15.00 N ATOM 567 CA ALA A 74 4.230 34.636 32.677 1.00 15.00 C ATOM 568 C ALA A 74 5.187 33.879 33.595 1.00 15.00 C ATOM 569 O ALA A 74 6.289 34.350 33.876 1.00 15.00 O ATOM 570 CB ALA A 74 3.155 35.338 33.510 1.00 15.00 C ATOM 0 H ALA A 74 2.591 33.673 31.782 1.00 15.00 H new ATOM 0 HA ALA A 74 4.801 35.382 32.124 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.630 36.011 34.224 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.501 35.910 32.852 1.00 15.00 H new ATOM 0 HB3 ALA A 74 2.568 34.594 34.048 1.00 15.00 H new ATOM 576 N ASP A 75 4.779 32.691 34.035 1.00 15.00 N ATOM 577 CA ASP A 75 5.601 31.913 34.955 1.00 15.00 C ATOM 578 C ASP A 75 6.941 31.562 34.316 1.00 15.00 C ATOM 579 O ASP A 75 7.995 31.720 34.933 1.00 15.00 O ATOM 580 CB ASP A 75 4.870 30.626 35.351 1.00 15.00 C ATOM 581 CG ASP A 75 3.604 30.946 36.143 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.574 31.969 36.809 1.00 15.00 O ATOM 583 OD2 ASP A 75 2.676 30.157 36.074 1.00 15.00 O ATOM 0 H ASP A 75 3.896 32.252 33.773 1.00 15.00 H new ATOM 0 HA ASP A 75 5.783 32.516 35.844 1.00 15.00 H new ATOM 0 HB2 ASP A 75 4.612 30.059 34.457 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.529 29.997 35.949 1.00 15.00 H new ATOM 588 N LEU A 76 6.898 31.113 33.067 1.00 15.00 N ATOM 589 CA LEU A 76 8.119 30.733 32.364 1.00 15.00 C ATOM 590 C LEU A 76 9.069 31.922 32.272 1.00 15.00 C ATOM 591 O LEU A 76 10.268 31.796 32.519 1.00 15.00 O ATOM 592 CB LEU A 76 7.774 30.237 30.957 1.00 15.00 C ATOM 593 CG LEU A 76 9.030 29.702 30.262 1.00 15.00 C ATOM 594 CD1 LEU A 76 9.365 28.310 30.800 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.774 29.613 28.755 1.00 15.00 C ATOM 0 H LEU A 76 6.041 31.004 32.524 1.00 15.00 H new ATOM 0 HA LEU A 76 8.609 29.933 32.919 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.019 29.453 31.015 1.00 15.00 H new ATOM 0 HB3 LEU A 76 7.344 31.050 30.372 1.00 15.00 H new ATOM 0 HG LEU A 76 9.865 30.375 30.456 1.00 15.00 H new ATOM 0 HD11 LEU A 76 10.259 27.933 30.303 1.00 15.00 H new ATOM 0 HD12 LEU A 76 9.544 28.368 31.874 1.00 15.00 H new ATOM 0 HD13 LEU A 76 8.531 27.635 30.607 1.00 15.00 H new ATOM 0 HD21 LEU A 76 9.665 29.233 28.256 1.00 15.00 H new ATOM 0 HD22 LEU A 76 7.938 28.939 28.567 1.00 15.00 H new ATOM 0 HD23 LEU A 76 8.536 30.604 28.367 1.00 15.00 H new ATOM 607 N SER A 77 8.521 33.084 31.941 1.00 15.00 N ATOM 608 CA SER A 77 9.335 34.283 31.779 1.00 15.00 C ATOM 609 C SER A 77 10.063 34.631 33.074 1.00 15.00 C ATOM 610 O SER A 77 11.236 35.000 33.052 1.00 15.00 O ATOM 611 CB SER A 77 8.447 35.455 31.362 1.00 15.00 C ATOM 612 OG SER A 77 9.266 36.536 30.939 1.00 15.00 O ATOM 0 H SER A 77 7.523 33.222 31.780 1.00 15.00 H new ATOM 0 HA SER A 77 10.079 34.089 31.007 1.00 15.00 H new ATOM 0 HB2 SER A 77 7.780 35.152 30.555 1.00 15.00 H new ATOM 0 HB3 SER A 77 7.818 35.765 32.197 1.00 15.00 H new ATOM 0 HG SER A 77 9.919 36.745 31.639 1.00 15.00 H new ATOM 618 N LYS A 78 9.360 34.520 34.194 1.00 15.00 N ATOM 619 CA LYS A 78 9.942 34.863 35.486 1.00 15.00 C ATOM 620 C LYS A 78 11.131 33.959 35.804 1.00 15.00 C ATOM 621 O LYS A 78 12.185 34.431 36.230 1.00 15.00 O ATOM 622 CB LYS A 78 8.883 34.725 36.583 1.00 15.00 C ATOM 623 CG LYS A 78 9.436 35.226 37.920 1.00 15.00 C ATOM 624 CD LYS A 78 9.484 36.756 37.920 1.00 15.00 C ATOM 625 CE LYS A 78 9.944 37.252 39.292 1.00 15.00 C ATOM 626 NZ LYS A 78 10.445 38.650 39.173 1.00 15.00 N ATOM 0 H LYS A 78 8.393 34.198 34.235 1.00 15.00 H new ATOM 0 HA LYS A 78 10.293 35.894 35.443 1.00 15.00 H new ATOM 0 HB2 LYS A 78 7.993 35.294 36.313 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.578 33.682 36.675 1.00 15.00 H new ATOM 0 HG2 LYS A 78 8.809 34.873 38.739 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.435 34.822 38.086 1.00 15.00 H new ATOM 0 HD2 LYS A 78 10.166 37.109 37.146 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.500 37.161 37.686 1.00 15.00 H new ATOM 0 HE2 LYS A 78 9.118 37.210 40.002 1.00 15.00 H new ATOM 0 HE3 LYS A 78 10.730 36.604 39.680 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 10.758 38.987 40.106 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 11.245 38.677 38.509 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 9.682 39.263 38.821 1.00 15.00 H new ATOM 640 N SER A 79 10.953 32.660 35.594 1.00 15.00 N ATOM 641 CA SER A 79 11.999 31.693 35.909 1.00 15.00 C ATOM 642 C SER A 79 13.254 31.947 35.079 1.00 15.00 C ATOM 643 O SER A 79 14.371 31.900 35.595 1.00 15.00 O ATOM 644 CB SER A 79 11.493 30.275 35.643 1.00 15.00 C ATOM 645 OG SER A 79 12.450 29.340 36.122 1.00 15.00 O ATOM 0 H SER A 79 10.100 32.253 35.209 1.00 15.00 H new ATOM 0 HA SER A 79 12.254 31.804 36.963 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.535 30.119 36.139 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.327 30.129 34.576 1.00 15.00 H new ATOM 0 HG SER A 79 12.129 28.429 35.955 1.00 15.00 H new ATOM 651 N GLN A 80 13.062 32.216 33.793 1.00 15.00 N ATOM 652 CA GLN A 80 14.189 32.446 32.888 1.00 15.00 C ATOM 653 C GLN A 80 14.785 33.856 33.002 1.00 15.00 C ATOM 654 O GLN A 80 15.766 34.160 32.321 1.00 15.00 O ATOM 655 CB GLN A 80 13.741 32.205 31.445 1.00 15.00 C ATOM 656 CG GLN A 80 13.344 30.737 31.272 1.00 15.00 C ATOM 657 CD GLN A 80 12.812 30.486 29.863 1.00 15.00 C ATOM 658 OE1 GLN A 80 12.434 31.423 29.157 1.00 15.00 O ATOM 659 NE2 GLN A 80 12.758 29.265 29.408 1.00 15.00 N ATOM 0 H GLN A 80 12.144 32.281 33.353 1.00 15.00 H new ATOM 0 HA GLN A 80 14.972 31.745 33.179 1.00 15.00 H new ATOM 0 HB2 GLN A 80 12.898 32.852 31.202 1.00 15.00 H new ATOM 0 HB3 GLN A 80 14.546 32.459 30.756 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.206 30.097 31.460 1.00 15.00 H new ATOM 0 HG3 GLN A 80 12.583 30.471 32.006 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.071 28.489 29.992 1.00 15.00 H new ATOM 0 HE22 GLN A 80 12.403 29.086 28.469 1.00 15.00 H new ATOM 668 N ASP A 81 14.211 34.716 33.844 1.00 15.00 N ATOM 669 CA ASP A 81 14.716 36.077 33.997 1.00 15.00 C ATOM 670 C ASP A 81 14.671 36.817 32.660 1.00 15.00 C ATOM 671 O ASP A 81 15.598 37.544 32.299 1.00 15.00 O ATOM 672 CB ASP A 81 16.150 36.039 34.532 1.00 15.00 C ATOM 673 CG ASP A 81 16.614 37.448 34.886 1.00 15.00 C ATOM 674 OD1 ASP A 81 16.275 37.908 35.963 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.304 38.044 34.075 1.00 15.00 O ATOM 0 H ASP A 81 13.403 34.495 34.425 1.00 15.00 H new ATOM 0 HA ASP A 81 14.084 36.610 34.707 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.201 35.399 35.413 1.00 15.00 H new ATOM 0 HB3 ASP A 81 16.814 35.606 33.784 1.00 15.00 H new ATOM 680 N ILE A 82 13.575 36.630 31.930 1.00 15.00 N ATOM 681 CA ILE A 82 13.386 37.291 30.641 1.00 15.00 C ATOM 682 C ILE A 82 12.193 38.239 30.721 1.00 15.00 C ATOM 683 O ILE A 82 11.238 37.985 31.455 1.00 15.00 O ATOM 684 CB ILE A 82 13.151 36.247 29.540 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.328 35.267 29.501 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.037 36.944 28.180 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.017 34.131 28.523 1.00 15.00 C ATOM 0 H ILE A 82 12.803 36.025 32.209 1.00 15.00 H new ATOM 0 HA ILE A 82 14.283 37.860 30.399 1.00 15.00 H new ATOM 0 HB ILE A 82 12.228 35.708 29.753 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.236 35.786 29.195 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.512 34.863 30.497 1.00 15.00 H new ATOM 0 HG21 ILE A 82 12.870 36.199 27.402 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.201 37.643 28.198 1.00 15.00 H new ATOM 0 HG23 ILE A 82 13.959 37.487 27.971 1.00 15.00 H new ATOM 0 HD11 ILE A 82 14.855 33.434 28.496 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.119 33.606 28.849 1.00 15.00 H new ATOM 0 HD13 ILE A 82 13.855 34.543 27.527 1.00 15.00 H new ATOM 699 N ASN A 83 12.258 39.337 29.973 1.00 15.00 N ATOM 700 CA ASN A 83 11.176 40.315 29.983 1.00 15.00 C ATOM 701 C ASN A 83 10.074 39.906 29.010 1.00 15.00 C ATOM 702 O ASN A 83 10.344 39.495 27.882 1.00 15.00 O ATOM 703 CB ASN A 83 11.715 41.694 29.595 1.00 15.00 C ATOM 704 CG ASN A 83 12.785 42.133 30.588 1.00 15.00 C ATOM 705 OD1 ASN A 83 13.851 42.601 30.187 1.00 15.00 O ATOM 706 ND2 ASN A 83 12.563 42.013 31.868 1.00 15.00 N ATOM 0 H ASN A 83 13.039 39.570 29.359 1.00 15.00 H new ATOM 0 HA ASN A 83 10.759 40.357 30.989 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.133 41.661 28.589 1.00 15.00 H new ATOM 0 HB3 ASN A 83 10.902 42.420 29.579 1.00 15.00 H new ATOM 0 HD21 ASN A 83 13.273 42.307 32.539 1.00 15.00 H new ATOM 0 HD22 ASN A 83 11.679 41.625 32.198 1.00 15.00 H new ATOM 713 N LEU A 84 8.825 40.034 29.449 1.00 15.00 N ATOM 714 CA LEU A 84 7.692 39.663 28.607 1.00 15.00 C ATOM 715 C LEU A 84 7.726 40.426 27.285 1.00 15.00 C ATOM 716 O LEU A 84 7.422 39.867 26.231 1.00 15.00 O ATOM 717 CB LEU A 84 6.377 39.954 29.336 1.00 15.00 C ATOM 718 CG LEU A 84 6.323 39.170 30.651 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.059 39.556 31.422 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.287 37.669 30.354 1.00 15.00 C ATOM 0 H LEU A 84 8.573 40.388 30.372 1.00 15.00 H new ATOM 0 HA LEU A 84 7.760 38.596 28.396 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.291 41.022 29.536 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.533 39.679 28.704 1.00 15.00 H new ATOM 0 HG LEU A 84 7.206 39.405 31.246 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.019 38.999 32.358 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.076 40.625 31.636 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.180 39.320 30.822 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.249 37.114 31.291 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.404 37.437 29.758 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.183 37.386 29.801 1.00 15.00 H new ATOM 732 N SER A 85 8.123 41.695 27.335 1.00 15.00 N ATOM 733 CA SER A 85 8.188 42.508 26.128 1.00 15.00 C ATOM 734 C SER A 85 9.144 41.883 25.117 1.00 15.00 C ATOM 735 O SER A 85 8.839 41.797 23.929 1.00 15.00 O ATOM 736 CB SER A 85 8.660 43.921 26.474 1.00 15.00 C ATOM 737 OG SER A 85 8.533 44.749 25.324 1.00 15.00 O ATOM 0 H SER A 85 8.401 42.177 28.190 1.00 15.00 H new ATOM 0 HA SER A 85 7.191 42.557 25.689 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.068 44.325 27.295 1.00 15.00 H new ATOM 0 HB3 SER A 85 9.697 43.900 26.809 1.00 15.00 H new ATOM 0 HG SER A 85 8.833 45.657 25.540 1.00 15.00 H new ATOM 743 N THR A 86 10.294 41.422 25.600 1.00 15.00 N ATOM 744 CA THR A 86 11.290 40.817 24.721 1.00 15.00 C ATOM 745 C THR A 86 10.726 39.574 24.039 1.00 15.00 C ATOM 746 O THR A 86 10.879 39.386 22.830 1.00 15.00 O ATOM 747 CB THR A 86 12.535 40.441 25.527 1.00 15.00 C ATOM 748 OG1 THR A 86 12.997 41.580 26.239 1.00 15.00 O ATOM 749 CG2 THR A 86 13.633 39.951 24.580 1.00 15.00 C ATOM 0 H THR A 86 10.558 41.455 26.585 1.00 15.00 H new ATOM 0 HA THR A 86 11.558 41.543 23.954 1.00 15.00 H new ATOM 0 HB THR A 86 12.285 39.647 26.230 1.00 15.00 H new ATOM 0 HG1 THR A 86 13.794 41.341 26.757 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.518 39.684 25.157 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.279 39.077 24.033 1.00 15.00 H new ATOM 0 HG23 THR A 86 13.885 40.743 23.874 1.00 15.00 H new ATOM 757 N ILE A 87 10.039 38.739 24.813 1.00 15.00 N ATOM 758 CA ILE A 87 9.489 37.497 24.279 1.00 15.00 C ATOM 759 C ILE A 87 8.549 37.800 23.115 1.00 15.00 C ATOM 760 O ILE A 87 8.618 37.164 22.066 1.00 15.00 O ATOM 761 CB ILE A 87 8.735 36.740 25.382 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.684 36.462 26.552 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.214 35.404 24.840 1.00 15.00 C ATOM 764 CD1 ILE A 87 8.896 35.870 27.722 1.00 15.00 C ATOM 0 H ILE A 87 9.851 38.897 25.803 1.00 15.00 H new ATOM 0 HA ILE A 87 10.307 36.873 23.919 1.00 15.00 H new ATOM 0 HB ILE A 87 7.896 37.350 25.717 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.468 35.771 26.242 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.176 37.384 26.861 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.681 34.874 25.629 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.537 35.589 24.006 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.053 34.798 24.499 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.573 35.673 28.554 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.129 36.576 28.038 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.425 34.938 27.409 1.00 15.00 H new ATOM 776 N TRP A 88 7.684 38.788 23.306 1.00 15.00 N ATOM 777 CA TRP A 88 6.740 39.172 22.263 1.00 15.00 C ATOM 778 C TRP A 88 7.466 39.617 20.996 1.00 15.00 C ATOM 779 O TRP A 88 7.142 39.167 19.899 1.00 15.00 O ATOM 780 CB TRP A 88 5.842 40.307 22.758 1.00 15.00 C ATOM 781 CG TRP A 88 4.804 40.717 21.764 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.785 39.937 21.337 1.00 15.00 C ATOM 783 CD2 TRP A 88 4.665 41.989 21.065 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.030 40.646 20.421 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.531 41.916 20.219 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.403 43.185 21.080 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.144 42.995 19.419 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.019 44.269 20.278 1.00 15.00 C ATOM 789 CH2 TRP A 88 3.892 44.176 19.449 1.00 15.00 C ATOM 0 H TRP A 88 7.616 39.334 24.165 1.00 15.00 H new ATOM 0 HA TRP A 88 6.132 38.299 22.026 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.350 39.996 23.679 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.461 41.170 23.003 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.592 38.924 21.659 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.204 40.276 19.952 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.273 43.270 21.714 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.275 42.917 18.783 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 5.595 45.182 20.299 1.00 15.00 H new ATOM 0 HH2 TRP A 88 3.602 45.015 18.834 1.00 15.00 H new ATOM 800 N SER A 89 8.475 40.469 21.149 1.00 15.00 N ATOM 801 CA SER A 89 9.174 41.020 19.991 1.00 15.00 C ATOM 802 C SER A 89 9.704 39.915 19.081 1.00 15.00 C ATOM 803 O SER A 89 9.645 40.034 17.857 1.00 15.00 O ATOM 804 CB SER A 89 10.337 41.898 20.456 1.00 15.00 C ATOM 805 OG SER A 89 11.337 41.075 21.042 1.00 15.00 O ATOM 0 H SER A 89 8.824 40.790 22.052 1.00 15.00 H new ATOM 0 HA SER A 89 8.461 41.618 19.423 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.752 42.450 19.613 1.00 15.00 H new ATOM 0 HB3 SER A 89 9.986 42.635 21.178 1.00 15.00 H new ATOM 0 HG SER A 89 11.006 40.712 21.890 1.00 15.00 H new ATOM 811 N LEU A 90 10.221 38.844 19.677 1.00 15.00 N ATOM 812 CA LEU A 90 10.749 37.732 18.891 1.00 15.00 C ATOM 813 C LEU A 90 9.629 36.915 18.246 1.00 15.00 C ATOM 814 O LEU A 90 9.614 36.717 17.030 1.00 15.00 O ATOM 815 CB LEU A 90 11.588 36.817 19.787 1.00 15.00 C ATOM 816 CG LEU A 90 12.748 37.609 20.398 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.493 36.726 21.401 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.716 38.037 19.292 1.00 15.00 C ATOM 0 H LEU A 90 10.286 38.722 20.688 1.00 15.00 H new ATOM 0 HA LEU A 90 11.367 38.151 18.097 1.00 15.00 H new ATOM 0 HB2 LEU A 90 10.966 36.398 20.578 1.00 15.00 H new ATOM 0 HB3 LEU A 90 11.974 35.979 19.207 1.00 15.00 H new ATOM 0 HG LEU A 90 12.356 38.492 20.903 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.319 37.288 21.837 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.809 36.415 22.191 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.883 35.845 20.891 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.541 38.600 19.728 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.107 37.153 18.788 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.191 38.663 18.571 1.00 15.00 H new ATOM 830 N ASN A 91 8.674 36.470 19.056 1.00 15.00 N ATOM 831 CA ASN A 91 7.614 35.587 18.563 1.00 15.00 C ATOM 832 C ASN A 91 6.414 36.340 17.973 1.00 15.00 C ATOM 833 O ASN A 91 5.396 35.724 17.661 1.00 15.00 O ATOM 834 CB ASN A 91 7.134 34.681 19.699 1.00 15.00 C ATOM 835 CG ASN A 91 8.272 33.776 20.156 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.209 32.558 19.986 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.321 34.297 20.732 1.00 15.00 N ATOM 0 H ASN A 91 8.609 36.701 20.047 1.00 15.00 H new ATOM 0 HA ASN A 91 8.048 35.002 17.752 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.781 35.286 20.534 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.290 34.078 19.363 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.085 33.696 21.040 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.377 35.305 20.874 1.00 15.00 H new ATOM 844 N LYS A 92 6.517 37.659 17.820 1.00 15.00 N ATOM 845 CA LYS A 92 5.440 38.442 17.221 1.00 15.00 C ATOM 846 C LYS A 92 4.985 37.866 15.876 1.00 15.00 C ATOM 847 O LYS A 92 3.833 38.048 15.485 1.00 15.00 O ATOM 848 CB LYS A 92 5.889 39.903 17.071 1.00 15.00 C ATOM 849 CG LYS A 92 7.002 40.030 16.023 1.00 15.00 C ATOM 850 CD LYS A 92 7.511 41.473 15.993 1.00 15.00 C ATOM 851 CE LYS A 92 8.387 41.682 14.755 1.00 15.00 C ATOM 852 NZ LYS A 92 9.168 42.942 14.906 1.00 15.00 N ATOM 0 H LYS A 92 7.331 38.205 18.101 1.00 15.00 H new ATOM 0 HA LYS A 92 4.578 38.396 17.886 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.039 40.521 16.781 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.243 40.279 18.031 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.820 39.349 16.261 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.626 39.745 15.041 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.670 42.166 15.977 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.083 41.687 16.896 1.00 15.00 H new ATOM 0 HE2 LYS A 92 9.062 40.836 14.627 1.00 15.00 H new ATOM 0 HE3 LYS A 92 7.766 41.732 13.861 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 9.763 43.084 14.065 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 8.515 43.745 15.008 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.772 42.877 15.750 1.00 15.00 H new ATOM 866 N HIS A 93 5.888 37.194 15.162 1.00 15.00 N ATOM 867 CA HIS A 93 5.537 36.611 13.872 1.00 15.00 C ATOM 868 C HIS A 93 4.656 35.372 14.043 1.00 15.00 C ATOM 869 O HIS A 93 3.760 35.127 13.236 1.00 15.00 O ATOM 870 CB HIS A 93 6.804 36.271 13.079 1.00 15.00 C ATOM 871 CG HIS A 93 7.585 35.093 13.603 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.528 35.209 14.613 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.592 33.769 13.237 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.060 33.991 14.814 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.525 33.076 14.003 1.00 15.00 N ATOM 0 H HIS A 93 6.854 37.042 15.452 1.00 15.00 H new ATOM 0 HA HIS A 93 4.963 37.349 13.312 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.525 36.072 12.044 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.455 37.145 13.071 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.773 36.064 15.113 1.00 15.00 H new ATOM 0 HD2 HIS A 93 6.968 33.332 12.471 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.828 33.779 15.544 1.00 15.00 H new ATOM 883 N LEU A 94 4.911 34.592 15.092 1.00 15.00 N ATOM 884 CA LEU A 94 4.136 33.377 15.334 1.00 15.00 C ATOM 885 C LEU A 94 2.720 33.700 15.803 1.00 15.00 C ATOM 886 O LEU A 94 1.755 33.073 15.366 1.00 15.00 O ATOM 887 CB LEU A 94 4.827 32.513 16.392 1.00 15.00 C ATOM 888 CG LEU A 94 6.243 32.158 15.937 1.00 15.00 C ATOM 889 CD1 LEU A 94 6.956 31.387 17.050 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.182 31.285 14.682 1.00 15.00 C ATOM 0 H LEU A 94 5.640 34.777 15.781 1.00 15.00 H new ATOM 0 HA LEU A 94 4.075 32.835 14.390 1.00 15.00 H new ATOM 0 HB2 LEU A 94 4.865 33.047 17.341 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.252 31.603 16.562 1.00 15.00 H new ATOM 0 HG LEU A 94 6.788 33.075 15.714 1.00 15.00 H new ATOM 0 HD11 LEU A 94 7.966 31.133 16.727 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.006 32.005 17.946 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.405 30.473 17.270 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.194 31.035 14.363 1.00 15.00 H new ATOM 0 HD22 LEU A 94 5.635 30.369 14.903 1.00 15.00 H new ATOM 0 HD23 LEU A 94 5.674 31.828 13.885 1.00 15.00 H new ATOM 902 N TYR A 95 2.598 34.682 16.693 1.00 15.00 N ATOM 903 CA TYR A 95 1.299 35.044 17.258 1.00 15.00 C ATOM 904 C TYR A 95 0.869 36.431 16.793 1.00 15.00 C ATOM 905 O TYR A 95 1.699 37.314 16.582 1.00 15.00 O ATOM 906 CB TYR A 95 1.375 35.014 18.785 1.00 15.00 C ATOM 907 CG TYR A 95 1.724 33.652 19.339 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.727 32.680 19.481 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.043 33.362 19.711 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.048 31.418 19.994 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.364 32.098 20.223 1.00 15.00 C ATOM 912 CZ TYR A 95 2.366 31.127 20.364 1.00 15.00 C ATOM 913 OH TYR A 95 2.677 29.882 20.871 1.00 15.00 O ATOM 0 H TYR A 95 3.379 35.240 17.038 1.00 15.00 H new ATOM 0 HA TYR A 95 0.560 34.321 16.912 1.00 15.00 H new ATOM 0 HB2 TYR A 95 2.120 35.736 19.119 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.417 35.331 19.196 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.290 32.904 19.195 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.812 34.112 19.603 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.278 30.668 20.104 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.381 31.873 20.509 1.00 15.00 H new ATOM 0 HH TYR A 95 3.572 29.621 20.570 1.00 15.00 H new ATOM 923 N SER A 96 -0.439 36.617 16.649 1.00 15.00 N ATOM 924 CA SER A 96 -0.973 37.868 16.122 1.00 15.00 C ATOM 925 C SER A 96 -0.776 39.023 17.100 1.00 15.00 C ATOM 926 O SER A 96 -0.418 40.130 16.696 1.00 15.00 O ATOM 927 CB SER A 96 -2.465 37.707 15.821 1.00 15.00 C ATOM 928 OG SER A 96 -2.649 36.599 14.951 1.00 15.00 O ATOM 0 H SER A 96 -1.146 35.922 16.888 1.00 15.00 H new ATOM 0 HA SER A 96 -0.428 38.102 15.207 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.020 37.554 16.746 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.855 38.615 15.361 1.00 15.00 H new ATOM 0 HG SER A 96 -3.603 36.491 14.757 1.00 15.00 H new ATOM 934 N SER A 97 -1.009 38.764 18.383 1.00 15.00 N ATOM 935 CA SER A 97 -0.940 39.824 19.385 1.00 15.00 C ATOM 936 C SER A 97 -0.598 39.265 20.763 1.00 15.00 C ATOM 937 O SER A 97 -0.596 38.052 20.973 1.00 15.00 O ATOM 938 CB SER A 97 -2.276 40.562 19.452 1.00 15.00 C ATOM 939 OG SER A 97 -3.253 39.707 20.032 1.00 15.00 O ATOM 0 H SER A 97 -1.244 37.842 18.751 1.00 15.00 H new ATOM 0 HA SER A 97 -0.150 40.514 19.090 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.174 41.471 20.044 1.00 15.00 H new ATOM 0 HB3 SER A 97 -2.588 40.866 18.453 1.00 15.00 H new ATOM 0 HG SER A 97 -4.112 40.176 20.079 1.00 15.00 H new ATOM 945 N GLU A 98 -0.310 40.166 21.697 1.00 15.00 N ATOM 946 CA GLU A 98 0.031 39.771 23.060 1.00 15.00 C ATOM 947 C GLU A 98 -1.116 39.010 23.725 1.00 15.00 C ATOM 948 O GLU A 98 -0.882 38.095 24.514 1.00 15.00 O ATOM 949 CB GLU A 98 0.357 41.013 23.894 1.00 15.00 C ATOM 950 CG GLU A 98 1.604 41.703 23.328 1.00 15.00 C ATOM 951 CD GLU A 98 2.019 42.910 24.175 1.00 15.00 C ATOM 952 OE1 GLU A 98 1.265 43.318 25.047 1.00 15.00 O ATOM 953 OE2 GLU A 98 3.103 43.417 23.934 1.00 15.00 O ATOM 0 H GLU A 98 -0.306 41.173 21.536 1.00 15.00 H new ATOM 0 HA GLU A 98 0.899 39.114 23.008 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -0.488 41.702 23.884 1.00 15.00 H new ATOM 0 HB3 GLU A 98 0.526 40.731 24.933 1.00 15.00 H new ATOM 0 HG2 GLU A 98 2.427 40.989 23.285 1.00 15.00 H new ATOM 0 HG3 GLU A 98 1.408 42.026 22.306 1.00 15.00 H new ATOM 960 N SER A 99 -2.353 39.383 23.406 1.00 15.00 N ATOM 961 CA SER A 99 -3.513 38.753 24.032 1.00 15.00 C ATOM 962 C SER A 99 -3.483 37.240 23.834 1.00 15.00 C ATOM 963 O SER A 99 -3.705 36.476 24.774 1.00 15.00 O ATOM 964 CB SER A 99 -4.799 39.322 23.432 1.00 15.00 C ATOM 965 OG SER A 99 -5.912 38.849 24.180 1.00 15.00 O ATOM 0 H SER A 99 -2.577 40.110 22.726 1.00 15.00 H new ATOM 0 HA SER A 99 -3.482 38.964 25.101 1.00 15.00 H new ATOM 0 HB2 SER A 99 -4.771 40.412 23.448 1.00 15.00 H new ATOM 0 HB3 SER A 99 -4.892 39.021 22.389 1.00 15.00 H new ATOM 0 HG SER A 99 -6.739 39.212 23.800 1.00 15.00 H new ATOM 971 N GLU A 100 -3.169 36.811 22.618 1.00 15.00 N ATOM 972 CA GLU A 100 -3.115 35.383 22.318 1.00 15.00 C ATOM 973 C GLU A 100 -2.057 34.678 23.163 1.00 15.00 C ATOM 974 O GLU A 100 -2.245 33.529 23.564 1.00 15.00 O ATOM 975 CB GLU A 100 -2.827 35.174 20.829 1.00 15.00 C ATOM 976 CG GLU A 100 -4.016 35.693 20.012 1.00 15.00 C ATOM 977 CD GLU A 100 -3.825 35.448 18.512 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.714 35.164 18.092 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.802 35.583 17.793 1.00 15.00 O ATOM 0 H GLU A 100 -2.950 37.422 21.831 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.084 34.947 22.563 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -1.916 35.701 20.544 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.661 34.117 20.623 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.930 35.202 20.347 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.143 36.760 20.193 1.00 15.00 H new ATOM 986 N MET A 101 -0.947 35.362 23.437 1.00 15.00 N ATOM 987 CA MET A 101 0.110 34.780 24.257 1.00 15.00 C ATOM 988 C MET A 101 -0.377 34.543 25.684 1.00 15.00 C ATOM 989 O MET A 101 -0.213 33.455 26.233 1.00 15.00 O ATOM 990 CB MET A 101 1.323 35.712 24.280 1.00 15.00 C ATOM 991 CG MET A 101 1.900 35.837 22.868 1.00 15.00 C ATOM 992 SD MET A 101 3.456 36.761 22.929 1.00 15.00 S ATOM 993 CE MET A 101 4.476 35.469 23.685 1.00 15.00 C ATOM 0 H MET A 101 -0.759 36.309 23.107 1.00 15.00 H new ATOM 0 HA MET A 101 0.392 33.822 23.821 1.00 15.00 H new ATOM 0 HB2 MET A 101 1.033 36.694 24.654 1.00 15.00 H new ATOM 0 HB3 MET A 101 2.081 35.323 24.960 1.00 15.00 H new ATOM 0 HG2 MET A 101 2.069 34.847 22.444 1.00 15.00 H new ATOM 0 HG3 MET A 101 1.189 36.345 22.217 1.00 15.00 H new ATOM 0 HE1 MET A 101 4.787 35.787 24.680 1.00 15.00 H new ATOM 0 HE2 MET A 101 3.898 34.548 23.762 1.00 15.00 H new ATOM 0 HE3 MET A 101 5.357 35.294 23.068 1.00 15.00 H new ATOM 1003 N MET A 102 -1.034 35.543 26.261 1.00 15.00 N ATOM 1004 CA MET A 102 -1.519 35.438 27.634 1.00 15.00 C ATOM 1005 C MET A 102 -2.496 34.276 27.790 1.00 15.00 C ATOM 1006 O MET A 102 -2.495 33.584 28.808 1.00 15.00 O ATOM 1007 CB MET A 102 -2.209 36.742 28.042 1.00 15.00 C ATOM 1008 CG MET A 102 -1.182 37.874 28.079 1.00 15.00 C ATOM 1009 SD MET A 102 -1.976 39.389 28.670 1.00 15.00 S ATOM 1010 CE MET A 102 -0.555 40.489 28.456 1.00 15.00 C ATOM 0 H MET A 102 -1.243 36.431 25.804 1.00 15.00 H new ATOM 0 HA MET A 102 -0.661 35.254 28.281 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.004 36.981 27.336 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.675 36.628 29.021 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.353 37.606 28.734 1.00 15.00 H new ATOM 0 HG3 MET A 102 -0.764 38.033 27.085 1.00 15.00 H new ATOM 0 HE1 MET A 102 -0.826 41.498 28.767 1.00 15.00 H new ATOM 0 HE2 MET A 102 0.276 40.133 29.065 1.00 15.00 H new ATOM 0 HE3 MET A 102 -0.258 40.500 27.407 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.330 34.065 26.776 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.326 32.996 26.817 1.00 15.00 C ATOM 1022 C LYS A 103 -3.807 31.676 26.231 1.00 15.00 C ATOM 1023 O LYS A 103 -4.599 30.780 25.938 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.571 33.431 26.040 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.201 34.647 26.722 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.502 35.017 26.008 1.00 15.00 C ATOM 1027 CE LYS A 103 -8.068 36.304 26.610 1.00 15.00 C ATOM 1028 NZ LYS A 103 -9.481 36.480 26.169 1.00 15.00 N ATOM 0 H LYS A 103 -3.337 34.617 25.918 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.562 32.818 27.866 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.304 33.676 25.012 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.290 32.613 25.996 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.400 34.426 27.771 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.509 35.489 26.699 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -7.318 35.152 24.942 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.226 34.208 26.107 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -8.018 36.262 27.698 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.469 37.159 26.296 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -9.866 37.355 26.578 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.516 36.538 25.131 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -10.048 35.669 26.489 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.491 31.545 26.055 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.917 30.333 25.482 1.00 15.00 C ATOM 1044 C ALA A 104 -2.357 29.095 26.257 1.00 15.00 C ATOM 1045 O ALA A 104 -2.579 29.148 27.467 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.389 30.425 25.497 1.00 15.00 C ATOM 0 H ALA A 104 -1.808 32.261 26.301 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.273 30.243 24.456 1.00 15.00 H new ATOM 0 HB1 ALA A 104 0.034 29.517 25.068 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.071 31.286 24.910 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.041 30.537 26.524 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.484 27.980 25.542 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.905 26.721 26.146 1.00 15.00 C ATOM 1054 C ALA A 105 -1.898 25.610 25.833 1.00 15.00 C ATOM 1055 O ALA A 105 -1.018 25.802 24.992 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.284 26.324 25.615 1.00 15.00 C ATOM 0 H ALA A 105 -2.300 27.924 24.540 1.00 15.00 H new ATOM 0 HA ALA A 105 -2.955 26.857 27.226 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.592 25.383 26.070 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.007 27.101 25.863 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.237 26.205 24.533 1.00 15.00 H new ATOM 1062 N PRO A 106 -1.997 24.462 26.472 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.030 23.346 26.231 1.00 15.00 C ATOM 1064 C PRO A 106 -0.984 22.918 24.766 1.00 15.00 C ATOM 1065 O PRO A 106 -1.995 22.955 24.067 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.530 22.199 27.117 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.404 22.835 28.142 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.004 24.072 27.481 1.00 15.00 C ATOM 0 HA PRO A 106 -0.011 23.651 26.469 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.083 21.464 26.532 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.697 21.673 27.584 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.186 22.149 28.466 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.831 23.107 29.028 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -3.966 23.851 27.020 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.173 24.869 28.205 1.00 15.00 H new ATOM 1076 N GLY A 107 0.199 22.510 24.313 1.00 15.00 N ATOM 1077 CA GLY A 107 0.361 22.017 22.946 1.00 15.00 C ATOM 1078 C GLY A 107 1.035 23.030 22.013 1.00 15.00 C ATOM 1079 O GLY A 107 1.495 22.652 20.934 1.00 15.00 O ATOM 0 H GLY A 107 1.055 22.510 24.868 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.952 21.101 22.965 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.617 21.757 22.542 1.00 15.00 H new ATOM 1083 N GLN A 108 1.099 24.300 22.411 1.00 15.00 N ATOM 1084 CA GLN A 108 1.709 25.322 21.564 1.00 15.00 C ATOM 1085 C GLN A 108 3.213 25.394 21.796 1.00 15.00 C ATOM 1086 O GLN A 108 3.705 25.031 22.862 1.00 15.00 O ATOM 1087 CB GLN A 108 1.064 26.684 21.823 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.392 26.645 21.354 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.043 28.010 21.545 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.520 28.318 22.635 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.089 28.848 20.546 1.00 15.00 N ATOM 0 H GLN A 108 0.741 24.642 23.303 1.00 15.00 H new ATOM 0 HA GLN A 108 1.538 25.047 20.523 1.00 15.00 H new ATOM 0 HB2 GLN A 108 1.111 26.927 22.885 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.609 27.465 21.293 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.436 26.357 20.304 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -0.942 25.890 21.915 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.692 28.588 19.643 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.522 29.763 20.668 1.00 15.00 H new ATOM 1100 N GLN A 109 3.943 25.856 20.783 1.00 15.00 N ATOM 1101 CA GLN A 109 5.400 25.926 20.863 1.00 15.00 C ATOM 1102 C GLN A 109 5.880 27.373 20.939 1.00 15.00 C ATOM 1103 O GLN A 109 5.243 28.284 20.409 1.00 15.00 O ATOM 1104 CB GLN A 109 6.018 25.250 19.637 1.00 15.00 C ATOM 1105 CG GLN A 109 5.668 23.760 19.643 1.00 15.00 C ATOM 1106 CD GLN A 109 6.200 23.078 18.386 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.512 23.740 17.394 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.325 21.779 18.366 1.00 15.00 N ATOM 0 H GLN A 109 3.551 26.186 19.901 1.00 15.00 H new ATOM 0 HA GLN A 109 5.714 25.410 21.770 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.647 25.718 18.725 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.100 25.380 19.644 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.092 23.285 20.528 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.587 23.635 19.701 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.067 21.229 19.186 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.680 21.314 17.531 1.00 15.00 H new ATOM 1117 N ILE A 110 6.988 27.570 21.646 1.00 15.00 N ATOM 1118 CA ILE A 110 7.624 28.879 21.749 1.00 15.00 C ATOM 1119 C ILE A 110 9.088 28.767 21.329 1.00 15.00 C ATOM 1120 O ILE A 110 9.776 27.825 21.718 1.00 15.00 O ATOM 1121 CB ILE A 110 7.522 29.388 23.193 1.00 15.00 C ATOM 1122 CG1 ILE A 110 6.048 29.485 23.594 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.171 30.770 23.315 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.939 29.815 25.083 1.00 15.00 C ATOM 0 H ILE A 110 7.468 26.832 22.161 1.00 15.00 H new ATOM 0 HA ILE A 110 7.119 29.586 21.090 1.00 15.00 H new ATOM 0 HB ILE A 110 8.041 28.692 23.851 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.551 30.255 23.004 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.541 28.544 23.382 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.092 31.120 24.344 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.222 30.704 23.034 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.662 31.471 22.654 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.888 29.883 25.365 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.421 29.030 25.666 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.430 30.768 25.281 1.00 15.00 H new ATOM 1136 N ILE A 111 9.565 29.729 20.542 1.00 15.00 N ATOM 1137 CA ILE A 111 10.956 29.714 20.091 1.00 15.00 C ATOM 1138 C ILE A 111 11.761 30.784 20.824 1.00 15.00 C ATOM 1139 O ILE A 111 11.322 31.927 20.957 1.00 15.00 O ATOM 1140 CB ILE A 111 11.037 29.952 18.578 1.00 15.00 C ATOM 1141 CG1 ILE A 111 10.174 28.923 17.841 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.490 29.802 18.113 1.00 15.00 C ATOM 1143 CD1 ILE A 111 10.122 29.270 16.352 1.00 15.00 C ATOM 0 H ILE A 111 9.017 30.521 20.206 1.00 15.00 H new ATOM 0 HA ILE A 111 11.376 28.733 20.315 1.00 15.00 H new ATOM 0 HB ILE A 111 10.677 30.957 18.358 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.586 27.923 17.978 1.00 15.00 H new ATOM 0 HG13 ILE A 111 9.167 28.913 18.258 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.547 29.971 17.038 1.00 15.00 H new ATOM 0 HG22 ILE A 111 13.114 30.532 18.629 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.843 28.796 18.341 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.508 28.537 15.829 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.690 30.263 16.225 1.00 15.00 H new ATOM 0 HD13 ILE A 111 11.131 29.258 15.940 1.00 15.00 H new ATOM 1155 N LEU A 112 12.938 30.397 21.305 1.00 15.00 N ATOM 1156 CA LEU A 112 13.842 31.325 21.974 1.00 15.00 C ATOM 1157 C LEU A 112 15.164 31.414 21.206 1.00 15.00 C ATOM 1158 O LEU A 112 16.022 30.548 21.384 1.00 15.00 O ATOM 1159 CB LEU A 112 14.121 30.830 23.396 1.00 15.00 C ATOM 1160 CG LEU A 112 12.814 30.788 24.187 1.00 15.00 C ATOM 1161 CD1 LEU A 112 13.020 29.986 25.473 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.387 32.214 24.541 1.00 15.00 C ATOM 0 H LEU A 112 13.289 29.441 21.243 1.00 15.00 H new ATOM 0 HA LEU A 112 13.377 32.310 22.009 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.572 29.838 23.365 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.835 31.490 23.888 1.00 15.00 H new ATOM 0 HG LEU A 112 12.040 30.314 23.583 1.00 15.00 H new ATOM 0 HD11 LEU A 112 12.088 29.956 26.037 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.325 28.970 25.223 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.794 30.459 26.077 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.455 32.185 25.105 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.162 32.687 25.144 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.240 32.787 23.626 1.00 15.00 H new ATOM 1174 N PRO A 113 15.339 32.380 20.326 1.00 15.00 N ATOM 1175 CA PRO A 113 16.624 32.524 19.577 1.00 15.00 C ATOM 1176 C PRO A 113 17.742 33.077 20.457 1.00 15.00 C ATOM 1177 O PRO A 113 17.714 34.241 20.856 1.00 15.00 O ATOM 1178 CB PRO A 113 16.294 33.496 18.442 1.00 15.00 C ATOM 1179 CG PRO A 113 15.150 34.308 18.943 1.00 15.00 C ATOM 1180 CD PRO A 113 14.371 33.419 19.910 1.00 15.00 C ATOM 0 HA PRO A 113 16.990 31.562 19.218 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.150 34.127 18.203 1.00 15.00 H new ATOM 0 HB3 PRO A 113 16.028 32.961 17.530 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.505 35.208 19.445 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.515 34.632 18.118 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.008 33.988 20.766 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.499 32.978 19.427 1.00 15.00 H new