USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 9 SER OG : rot 92:sc= 1.06 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -110:sc= 0.702 (180deg=-1.24) USER MOD Set 1.3: A 64 TYR OH : rot -54:sc= 0.888 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.6 K(o=1.8,f=-1.7) USER MOD Set 2.2: A 62 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0.175) USER MOD Set 3.1: A 44 TYR OH : rot 62:sc= 1.85 USER MOD Set 3.2: A 49 TYR OH : rot -167:sc= 1.09 USER MOD Set 3.3: A 54 LYS NZ :NH3+ -154:sc= 0.521 (180deg=-1.28) USER MOD Set 4.1: A 41 MET CE :methyl -178:sc= -0.992 (180deg=-1.04) USER MOD Set 4.2: A 76 MET CE :methyl -153:sc= -0.599 (180deg=-1.38) USER MOD Set 4.3: A 80 HEM CMA :methyl -30:sc= -0.986 (180deg=-0.868) USER MOD Single : A 1 ALA N :NH3+ -131:sc= 1.68 (180deg=-1.01) USER MOD Single : A 7 TYR OH : rot 52:sc= 0.0538 USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0422) USER MOD Single : A 19 SER OG : rot 47:sc= 0.549 USER MOD Single : A 20 LYS NZ :NH3+ 142:sc= 0.431 (180deg=-1.24) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 78:sc= 0.899 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 0.262 (180deg=0.239) USER MOD Single : A 30 LYS NZ :NH3+ -146:sc= 1.26 (180deg=0.929) USER MOD Single : A 32 GLN : amide:sc= 0.17 K(o=0.17,f=-3.3) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= 0.919 (180deg=0.579) USER MOD Single : A 40 LYS NZ :NH3+ 149:sc= 0.607 (180deg=0.195) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 1.01 (180deg=0.888) USER MOD Single : A 48 SER OG : rot -41:sc= 0.716 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 169:sc= -5.23! (180deg=-6.53!) USER MOD Single : A 58 THR OG1 : rot 80:sc= 0.866 USER MOD Single : A 65 SER OG : rot 12:sc= 0.293 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0269) USER MOD Single : A 75 TYR OH : rot 179:sc= 0.517 USER MOD Single : A 77 SER OG : rot -25:sc= 0.729 USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 0.575 (180deg=0.562) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -1.81 (180deg=-1.81) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.417 (180deg=-0.417) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.427 (180deg=-2.89!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.973 -13.636 -3.517 1.00 0.00 N ATOM 2 CA ALA A 1 -1.770 -14.017 -4.279 1.00 0.00 C ATOM 3 C ALA A 1 -0.559 -13.408 -3.576 1.00 0.00 C ATOM 4 O ALA A 1 -0.768 -12.696 -2.596 1.00 0.00 O ATOM 5 CB ALA A 1 -1.871 -13.554 -5.735 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.556 -14.480 -3.343 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.690 -13.217 -2.608 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.523 -12.942 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.669 -15.102 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.970 -13.848 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.741 -14.014 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.974 -12.469 -5.766 1.00 0.00 H new ATOM 6 N ASP A 2 0.661 -13.690 -4.036 1.00 0.00 N ATOM 7 CA ASP A 2 1.902 -13.200 -3.445 1.00 0.00 C ATOM 8 C ASP A 2 1.907 -11.675 -3.325 1.00 0.00 C ATOM 9 O ASP A 2 1.639 -10.975 -4.300 1.00 0.00 O ATOM 10 CB ASP A 2 3.091 -13.661 -4.300 1.00 0.00 C ATOM 11 CG ASP A 2 3.105 -15.173 -4.494 1.00 0.00 C ATOM 12 OD1 ASP A 2 2.191 -15.649 -5.205 1.00 0.00 O ATOM 13 OD2 ASP A 2 4.006 -15.817 -3.918 1.00 0.00 O ATOM 0 H ASP A 2 0.815 -14.282 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 2 1.985 -13.611 -2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.049 -13.171 -5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.021 -13.348 -3.826 1.00 0.00 H new ATOM 14 N GLY A 3 2.251 -11.162 -2.139 1.00 0.00 N ATOM 15 CA GLY A 3 2.303 -9.735 -1.874 1.00 0.00 C ATOM 16 C GLY A 3 3.183 -9.029 -2.894 1.00 0.00 C ATOM 17 O GLY A 3 2.705 -8.188 -3.647 1.00 0.00 O ATOM 0 H GLY A 3 2.502 -11.737 -1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.296 -9.318 -1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.690 -9.561 -0.870 1.00 0.00 H new ATOM 18 N ALA A 4 4.462 -9.404 -2.959 1.00 0.00 N ATOM 19 CA ALA A 4 5.410 -8.803 -3.888 1.00 0.00 C ATOM 20 C ALA A 4 4.837 -8.728 -5.304 1.00 0.00 C ATOM 21 O ALA A 4 4.963 -7.701 -5.965 1.00 0.00 O ATOM 22 CB ALA A 4 6.708 -9.616 -3.888 1.00 0.00 C ATOM 0 H ALA A 4 4.865 -10.132 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 4 5.613 -7.784 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.418 -9.168 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.135 -9.620 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.496 -10.640 -4.196 1.00 0.00 H new ATOM 23 N ALA A 5 4.185 -9.805 -5.758 1.00 0.00 N ATOM 24 CA ALA A 5 3.613 -9.848 -7.092 1.00 0.00 C ATOM 25 C ALA A 5 2.511 -8.801 -7.262 1.00 0.00 C ATOM 26 O ALA A 5 2.460 -8.142 -8.297 1.00 0.00 O ATOM 27 CB ALA A 5 3.071 -11.248 -7.391 1.00 0.00 C ATOM 0 H ALA A 5 4.045 -10.656 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 5 4.405 -9.615 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.645 -11.267 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.882 -11.973 -7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.299 -11.502 -6.664 1.00 0.00 H new ATOM 28 N LEU A 6 1.629 -8.624 -6.272 1.00 0.00 N ATOM 29 CA LEU A 6 0.556 -7.671 -6.364 1.00 0.00 C ATOM 30 C LEU A 6 1.140 -6.263 -6.319 1.00 0.00 C ATOM 31 O LEU A 6 0.728 -5.394 -7.095 1.00 0.00 O ATOM 32 CB LEU A 6 -0.374 -7.948 -5.183 1.00 0.00 C ATOM 33 CG LEU A 6 -1.102 -9.299 -5.296 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.604 -9.709 -3.909 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.271 -9.243 -6.283 1.00 0.00 C ATOM 0 H LEU A 6 1.652 -9.143 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.004 -7.756 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.205 -7.929 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.112 -7.149 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.396 -10.037 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.122 -10.666 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.758 -9.802 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.291 -8.951 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.755 -10.219 -6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.992 -8.496 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.900 -8.974 -7.272 1.00 0.00 H new ATOM 36 N TYR A 7 2.105 -6.058 -5.414 1.00 0.00 N ATOM 37 CA TYR A 7 2.749 -4.774 -5.207 1.00 0.00 C ATOM 38 C TYR A 7 3.561 -4.269 -6.406 1.00 0.00 C ATOM 39 O TYR A 7 3.898 -3.086 -6.431 1.00 0.00 O ATOM 40 CB TYR A 7 3.610 -4.840 -3.938 1.00 0.00 C ATOM 41 CG TYR A 7 3.723 -3.522 -3.192 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.566 -2.790 -2.862 1.00 0.00 C ATOM 43 CD2 TYR A 7 4.965 -3.092 -2.698 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.673 -1.564 -2.197 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.060 -1.890 -1.975 1.00 0.00 C ATOM 46 CZ TYR A 7 3.936 -1.057 -1.862 1.00 0.00 C ATOM 47 OH TYR A 7 4.056 0.192 -1.332 1.00 0.00 O ATOM 0 H TYR A 7 2.458 -6.794 -4.802 1.00 0.00 H new ATOM 0 HA TYR A 7 1.954 -4.038 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.191 -5.590 -3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.610 -5.178 -4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.592 -3.177 -3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.850 -3.686 -2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.783 -1.008 -1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.993 -1.609 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 7 3.454 0.281 -0.564 1.00 0.00 H new ATOM 48 N LYS A 8 3.886 -5.115 -7.396 1.00 0.00 N ATOM 49 CA LYS A 8 4.624 -4.678 -8.588 1.00 0.00 C ATOM 50 C LYS A 8 4.005 -3.389 -9.145 1.00 0.00 C ATOM 51 O LYS A 8 4.703 -2.430 -9.463 1.00 0.00 O ATOM 52 CB LYS A 8 4.589 -5.763 -9.673 1.00 0.00 C ATOM 53 CG LYS A 8 5.474 -6.963 -9.321 1.00 0.00 C ATOM 54 CD LYS A 8 5.316 -8.116 -10.325 1.00 0.00 C ATOM 55 CE LYS A 8 5.660 -7.736 -11.772 1.00 0.00 C ATOM 56 NZ LYS A 8 7.020 -7.182 -11.891 1.00 0.00 N ATOM 0 H LYS A 8 3.648 -6.107 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 8 5.659 -4.495 -8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.562 -6.100 -9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.918 -5.337 -10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.517 -6.647 -9.294 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.222 -7.317 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.955 -8.943 -10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.288 -8.477 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.571 -8.616 -12.409 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.938 -7.005 -12.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.242 -7.018 -12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.075 -6.282 -11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.705 -7.854 -11.490 1.00 0.00 H new ATOM 57 N SER A 9 2.673 -3.351 -9.175 1.00 0.00 N ATOM 58 CA SER A 9 1.829 -2.263 -9.636 1.00 0.00 C ATOM 59 C SER A 9 1.907 -0.997 -8.765 1.00 0.00 C ATOM 60 O SER A 9 1.117 -0.079 -8.971 1.00 0.00 O ATOM 61 CB SER A 9 0.382 -2.790 -9.581 1.00 0.00 C ATOM 62 OG SER A 9 0.327 -4.211 -9.635 1.00 0.00 O ATOM 0 H SER A 9 2.119 -4.144 -8.851 1.00 0.00 H new ATOM 0 HA SER A 9 2.162 -1.972 -10.632 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.095 -2.444 -8.664 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.187 -2.374 -10.413 1.00 0.00 H new ATOM 0 HG SER A 9 0.328 -4.573 -8.724 1.00 0.00 H new ATOM 63 N CYS A 10 2.820 -0.947 -7.791 1.00 0.00 N ATOM 64 CA CYS A 10 2.956 0.098 -6.790 1.00 0.00 C ATOM 65 C CYS A 10 4.401 0.553 -6.685 1.00 0.00 C ATOM 66 O CYS A 10 4.676 1.734 -6.456 1.00 0.00 O ATOM 67 CB CYS A 10 2.495 -0.499 -5.457 1.00 0.00 C ATOM 68 SG CYS A 10 1.001 -1.537 -5.563 1.00 0.00 S ATOM 0 H CYS A 10 3.521 -1.680 -7.679 1.00 0.00 H new ATOM 0 HA CYS A 10 2.357 0.968 -7.060 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.307 -1.096 -5.042 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.307 0.314 -4.756 1.00 0.00 H new ATOM 69 N ILE A 11 5.318 -0.407 -6.859 1.00 0.00 N ATOM 70 CA ILE A 11 6.757 -0.211 -6.863 1.00 0.00 C ATOM 71 C ILE A 11 7.126 1.043 -7.668 1.00 0.00 C ATOM 72 O ILE A 11 8.055 1.753 -7.298 1.00 0.00 O ATOM 73 CB ILE A 11 7.410 -1.483 -7.441 1.00 0.00 C ATOM 74 CG1 ILE A 11 7.246 -2.719 -6.532 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.895 -1.255 -7.703 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.415 -2.488 -5.028 1.00 0.00 C ATOM 0 H ILE A 11 5.056 -1.382 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 11 7.126 -0.050 -5.850 1.00 0.00 H new ATOM 0 HB ILE A 11 6.886 -1.687 -8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.255 -3.139 -6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.970 -3.471 -6.845 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.336 -2.165 -8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.018 -0.441 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.394 -0.997 -6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.277 -3.430 -4.497 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.415 -2.103 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.674 -1.766 -4.685 1.00 0.00 H new ATOM 77 N GLY A 12 6.406 1.333 -8.756 1.00 0.00 N ATOM 78 CA GLY A 12 6.648 2.518 -9.566 1.00 0.00 C ATOM 79 C GLY A 12 6.680 3.808 -8.733 1.00 0.00 C ATOM 80 O GLY A 12 7.558 4.644 -8.935 1.00 0.00 O ATOM 0 H GLY A 12 5.641 0.750 -9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.596 2.406 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.870 2.600 -10.325 1.00 0.00 H new ATOM 81 N CYS A 13 5.734 3.980 -7.799 1.00 0.00 N ATOM 82 CA CYS A 13 5.667 5.177 -6.959 1.00 0.00 C ATOM 83 C CYS A 13 6.491 5.004 -5.687 1.00 0.00 C ATOM 84 O CYS A 13 7.222 5.908 -5.298 1.00 0.00 O ATOM 85 CB CYS A 13 4.214 5.515 -6.565 1.00 0.00 C ATOM 86 SG CYS A 13 3.394 6.760 -7.601 1.00 0.00 S ATOM 0 H CYS A 13 5.001 3.297 -7.608 1.00 0.00 H new ATOM 0 HA CYS A 13 6.076 5.995 -7.551 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.625 4.598 -6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.208 5.865 -5.533 1.00 0.00 H new ATOM 87 N HIS A 14 6.375 3.849 -5.032 1.00 0.00 N ATOM 88 CA HIS A 14 6.980 3.537 -3.769 1.00 0.00 C ATOM 89 C HIS A 14 8.464 3.163 -3.785 1.00 0.00 C ATOM 90 O HIS A 14 9.195 3.484 -2.848 1.00 0.00 O ATOM 91 CB HIS A 14 6.110 2.377 -3.297 1.00 0.00 C ATOM 92 CG HIS A 14 4.835 2.867 -2.682 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.819 3.524 -1.464 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.540 2.890 -3.134 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.576 3.996 -1.294 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.728 3.552 -2.222 1.00 0.00 N ATOM 0 H HIS A 14 5.823 3.075 -5.401 1.00 0.00 H new ATOM 0 HA HIS A 14 7.005 4.414 -3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.882 1.724 -4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.660 1.779 -2.570 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.603 3.629 -0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.201 2.457 -4.063 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.293 4.663 -0.493 1.00 0.00 H new ATOM 97 N GLY A 15 8.923 2.486 -4.831 1.00 0.00 N ATOM 98 CA GLY A 15 10.282 1.982 -4.927 1.00 0.00 C ATOM 99 C GLY A 15 10.249 0.508 -4.515 1.00 0.00 C ATOM 100 O GLY A 15 9.351 0.102 -3.779 1.00 0.00 O ATOM 0 H GLY A 15 8.350 2.270 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.661 2.089 -5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.949 2.548 -4.277 1.00 0.00 H new ATOM 101 N ALA A 16 11.204 -0.309 -4.976 1.00 0.00 N ATOM 102 CA ALA A 16 11.269 -1.740 -4.648 1.00 0.00 C ATOM 103 C ALA A 16 11.174 -1.961 -3.133 1.00 0.00 C ATOM 104 O ALA A 16 10.461 -2.840 -2.641 1.00 0.00 O ATOM 105 CB ALA A 16 12.582 -2.315 -5.188 1.00 0.00 C ATOM 0 H ALA A 16 11.956 0.004 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 16 10.425 -2.251 -5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.640 -3.377 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.619 -2.184 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.423 -1.794 -4.730 1.00 0.00 H new ATOM 106 N ASP A 17 11.912 -1.111 -2.420 1.00 0.00 N ATOM 107 CA ASP A 17 12.077 -1.023 -0.996 1.00 0.00 C ATOM 108 C ASP A 17 11.026 -0.128 -0.333 1.00 0.00 C ATOM 109 O ASP A 17 11.202 0.208 0.831 1.00 0.00 O ATOM 110 CB ASP A 17 13.480 -0.450 -0.720 1.00 0.00 C ATOM 111 CG ASP A 17 13.698 0.967 -1.270 1.00 0.00 C ATOM 112 OD1 ASP A 17 12.711 1.584 -1.735 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.867 1.406 -1.237 1.00 0.00 O ATOM 0 H ASP A 17 12.463 -0.395 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 17 11.955 -2.020 -0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.652 -0.441 0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.225 -1.116 -1.156 1.00 0.00 H new ATOM 114 N GLY A 18 10.001 0.322 -1.070 1.00 0.00 N ATOM 115 CA GLY A 18 8.944 1.222 -0.614 1.00 0.00 C ATOM 116 C GLY A 18 9.458 2.387 0.229 1.00 0.00 C ATOM 117 O GLY A 18 8.749 2.869 1.117 1.00 0.00 O ATOM 0 H GLY A 18 9.885 0.053 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.415 1.617 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.220 0.653 -0.031 1.00 0.00 H new ATOM 118 N SER A 19 10.684 2.836 -0.052 1.00 0.00 N ATOM 119 CA SER A 19 11.325 3.912 0.678 1.00 0.00 C ATOM 120 C SER A 19 11.102 5.252 -0.013 1.00 0.00 C ATOM 121 O SER A 19 11.294 6.291 0.616 1.00 0.00 O ATOM 122 CB SER A 19 12.816 3.596 0.812 1.00 0.00 C ATOM 123 OG SER A 19 12.981 2.343 1.453 1.00 0.00 O ATOM 0 H SER A 19 11.259 2.453 -0.803 1.00 0.00 H new ATOM 0 HA SER A 19 10.884 3.991 1.672 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.284 3.577 -0.172 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.314 4.378 1.386 1.00 0.00 H new ATOM 0 HG SER A 19 12.380 1.685 1.045 1.00 0.00 H new ATOM 124 N LYS A 20 10.724 5.261 -1.298 1.00 0.00 N ATOM 125 CA LYS A 20 10.483 6.518 -1.974 1.00 0.00 C ATOM 126 C LYS A 20 9.202 7.114 -1.393 1.00 0.00 C ATOM 127 O LYS A 20 8.155 6.462 -1.392 1.00 0.00 O ATOM 128 CB LYS A 20 10.360 6.302 -3.490 1.00 0.00 C ATOM 129 CG LYS A 20 10.646 7.599 -4.259 1.00 0.00 C ATOM 130 CD LYS A 20 10.146 7.588 -5.712 1.00 0.00 C ATOM 131 CE LYS A 20 10.661 6.422 -6.569 1.00 0.00 C ATOM 132 NZ LYS A 20 9.902 5.179 -6.337 1.00 0.00 N ATOM 0 H LYS A 20 10.584 4.428 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 20 11.316 7.204 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.057 5.526 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.358 5.947 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.181 8.432 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.721 7.781 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.056 7.560 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.438 8.525 -6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.597 6.693 -7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.714 6.249 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.782 4.673 -7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.420 4.576 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.968 5.411 -5.943 1.00 0.00 H new ATOM 133 N ALA A 21 9.285 8.338 -0.867 1.00 0.00 N ATOM 134 CA ALA A 21 8.127 9.029 -0.326 1.00 0.00 C ATOM 135 C ALA A 21 7.253 9.400 -1.524 1.00 0.00 C ATOM 136 O ALA A 21 7.366 10.481 -2.094 1.00 0.00 O ATOM 137 CB ALA A 21 8.578 10.238 0.498 1.00 0.00 C ATOM 0 H ALA A 21 10.153 8.870 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 21 7.549 8.410 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.704 10.751 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.212 9.903 1.319 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.140 10.923 -0.138 1.00 0.00 H new ATOM 138 N ALA A 22 6.414 8.452 -1.933 1.00 0.00 N ATOM 139 CA ALA A 22 5.553 8.536 -3.092 1.00 0.00 C ATOM 140 C ALA A 22 4.722 9.817 -3.203 1.00 0.00 C ATOM 141 O ALA A 22 4.195 10.318 -2.212 1.00 0.00 O ATOM 142 CB ALA A 22 4.645 7.307 -3.108 1.00 0.00 C ATOM 0 H ALA A 22 6.317 7.566 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 22 6.209 8.567 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.987 7.352 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.255 6.405 -3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.045 7.286 -2.198 1.00 0.00 H new ATOM 143 N MET A 23 4.599 10.282 -4.453 1.00 0.00 N ATOM 144 CA MET A 23 3.864 11.436 -4.962 1.00 0.00 C ATOM 145 C MET A 23 3.759 12.610 -3.983 1.00 0.00 C ATOM 146 O MET A 23 4.540 13.553 -4.064 1.00 0.00 O ATOM 147 CB MET A 23 2.495 10.929 -5.445 1.00 0.00 C ATOM 148 CG MET A 23 1.594 12.006 -6.062 1.00 0.00 C ATOM 149 SD MET A 23 2.284 12.874 -7.492 1.00 0.00 S ATOM 150 CE MET A 23 0.911 13.989 -7.861 1.00 0.00 C ATOM 0 H MET A 23 5.070 9.797 -5.217 1.00 0.00 H new ATOM 0 HA MET A 23 4.424 11.871 -5.790 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.654 10.142 -6.182 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.972 10.476 -4.602 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.654 11.542 -6.360 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.357 12.741 -5.293 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.165 14.606 -8.723 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.018 13.405 -8.083 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.721 14.630 -7.000 1.00 0.00 H new ATOM 151 N GLY A 24 2.771 12.578 -3.087 1.00 0.00 N ATOM 152 CA GLY A 24 2.541 13.633 -2.114 1.00 0.00 C ATOM 153 C GLY A 24 3.753 13.896 -1.227 1.00 0.00 C ATOM 154 O GLY A 24 3.983 15.032 -0.818 1.00 0.00 O ATOM 0 H GLY A 24 2.105 11.809 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.274 14.551 -2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.690 13.364 -1.488 1.00 0.00 H new ATOM 155 N SER A 25 4.497 12.823 -0.950 1.00 0.00 N ATOM 156 CA SER A 25 5.680 12.661 -0.115 1.00 0.00 C ATOM 157 C SER A 25 5.254 11.644 0.939 1.00 0.00 C ATOM 158 O SER A 25 5.250 11.952 2.130 1.00 0.00 O ATOM 159 CB SER A 25 6.189 13.957 0.538 1.00 0.00 C ATOM 160 OG SER A 25 6.614 14.882 -0.442 1.00 0.00 O ATOM 0 H SER A 25 4.244 11.927 -1.366 1.00 0.00 H new ATOM 0 HA SER A 25 6.528 12.341 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.397 14.400 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.015 13.729 1.212 1.00 0.00 H new ATOM 0 HG SER A 25 5.832 15.318 -0.842 1.00 0.00 H new ATOM 161 N ALA A 26 4.874 10.434 0.506 1.00 0.00 N ATOM 162 CA ALA A 26 4.385 9.423 1.405 1.00 0.00 C ATOM 163 C ALA A 26 5.297 9.113 2.577 1.00 0.00 C ATOM 164 O ALA A 26 6.517 9.083 2.448 1.00 0.00 O ATOM 165 CB ALA A 26 4.189 8.123 0.622 1.00 0.00 C ATOM 0 H ALA A 26 4.903 10.147 -0.472 1.00 0.00 H new ATOM 0 HA ALA A 26 3.459 9.823 1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.818 7.347 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.468 8.286 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.141 7.809 0.195 1.00 0.00 H new ATOM 166 N LYS A 27 4.664 8.847 3.717 1.00 0.00 N ATOM 167 CA LYS A 27 5.332 8.366 4.908 1.00 0.00 C ATOM 168 C LYS A 27 5.930 7.047 4.409 1.00 0.00 C ATOM 169 O LYS A 27 5.135 6.181 4.034 1.00 0.00 O ATOM 170 CB LYS A 27 4.296 8.122 6.014 1.00 0.00 C ATOM 171 CG LYS A 27 3.627 9.421 6.488 1.00 0.00 C ATOM 172 CD LYS A 27 2.296 9.129 7.204 1.00 0.00 C ATOM 173 CE LYS A 27 1.078 9.314 6.285 1.00 0.00 C ATOM 174 NZ LYS A 27 1.118 8.458 5.087 1.00 0.00 N ATOM 0 H LYS A 27 3.657 8.964 3.834 1.00 0.00 H new ATOM 0 HA LYS A 27 6.070 9.047 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.532 7.436 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.781 7.636 6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.297 9.954 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.449 10.074 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.308 8.107 7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.199 9.788 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.170 9.097 6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.020 10.358 5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.177 8.434 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.808 8.841 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.397 7.494 5.359 1.00 0.00 H new ATOM 175 N PRO A 28 7.267 6.905 4.312 1.00 0.00 N ATOM 176 CA PRO A 28 7.909 5.720 3.766 1.00 0.00 C ATOM 177 C PRO A 28 7.139 4.453 4.105 1.00 0.00 C ATOM 178 O PRO A 28 6.881 4.186 5.276 1.00 0.00 O ATOM 179 CB PRO A 28 9.322 5.707 4.336 1.00 0.00 C ATOM 180 CG PRO A 28 9.627 7.200 4.468 1.00 0.00 C ATOM 181 CD PRO A 28 8.273 7.813 4.839 1.00 0.00 C ATOM 0 HA PRO A 28 7.932 5.750 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.369 5.195 5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.025 5.204 3.672 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.377 7.390 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.013 7.614 3.537 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.175 7.920 5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.164 8.809 4.409 1.00 0.00 H new ATOM 182 N VAL A 29 6.709 3.720 3.076 1.00 0.00 N ATOM 183 CA VAL A 29 5.970 2.485 3.285 1.00 0.00 C ATOM 184 C VAL A 29 6.935 1.568 4.045 1.00 0.00 C ATOM 185 O VAL A 29 6.526 0.860 4.958 1.00 0.00 O ATOM 186 CB VAL A 29 5.489 1.917 1.940 1.00 0.00 C ATOM 187 CG1 VAL A 29 5.210 0.417 1.989 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.167 2.595 1.570 1.00 0.00 C ATOM 0 H VAL A 29 6.861 3.963 2.097 1.00 0.00 H new ATOM 0 HA VAL A 29 5.056 2.616 3.864 1.00 0.00 H new ATOM 0 HB VAL A 29 6.285 2.102 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.874 0.077 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.121 -0.114 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.435 0.215 2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.811 2.203 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.426 2.395 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.321 3.671 1.485 1.00 0.00 H new ATOM 189 N LYS A 30 8.215 1.579 3.649 1.00 0.00 N ATOM 190 CA LYS A 30 9.292 0.884 4.329 1.00 0.00 C ATOM 191 C LYS A 30 9.236 1.214 5.819 1.00 0.00 C ATOM 192 O LYS A 30 9.411 2.364 6.224 1.00 0.00 O ATOM 193 CB LYS A 30 10.628 1.381 3.778 1.00 0.00 C ATOM 194 CG LYS A 30 11.852 0.504 4.074 1.00 0.00 C ATOM 195 CD LYS A 30 12.253 0.498 5.557 1.00 0.00 C ATOM 196 CE LYS A 30 13.721 0.094 5.738 1.00 0.00 C ATOM 197 NZ LYS A 30 14.017 -1.187 5.074 1.00 0.00 N ATOM 0 H LYS A 30 8.528 2.089 2.823 1.00 0.00 H new ATOM 0 HA LYS A 30 9.192 -0.190 4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.535 1.486 2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.815 2.377 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.643 -0.518 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.695 0.856 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.091 1.488 5.983 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.613 -0.193 6.106 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.366 0.873 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.949 0.015 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.728 -1.708 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.147 -1.753 5.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.385 -1.006 4.118 1.00 0.00 H new ATOM 198 N GLY A 31 8.984 0.201 6.628 1.00 0.00 N ATOM 199 CA GLY A 31 8.946 0.286 8.068 1.00 0.00 C ATOM 200 C GLY A 31 7.523 0.233 8.579 1.00 0.00 C ATOM 201 O GLY A 31 7.330 0.021 9.776 1.00 0.00 O ATOM 0 H GLY A 31 8.793 -0.739 6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.521 -0.533 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.418 1.213 8.393 1.00 0.00 H new ATOM 202 N GLN A 32 6.519 0.435 7.713 1.00 0.00 N ATOM 203 CA GLN A 32 5.163 0.391 8.179 1.00 0.00 C ATOM 204 C GLN A 32 4.829 -1.072 8.539 1.00 0.00 C ATOM 205 O GLN A 32 5.300 -1.996 7.881 1.00 0.00 O ATOM 206 CB GLN A 32 4.196 1.040 7.171 1.00 0.00 C ATOM 207 CG GLN A 32 4.390 2.556 6.887 1.00 0.00 C ATOM 208 CD GLN A 32 3.226 3.184 6.085 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.093 2.748 6.268 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.432 4.191 5.213 1.00 0.00 N ATOM 0 H GLN A 32 6.634 0.624 6.717 1.00 0.00 H new ATOM 0 HA GLN A 32 5.041 0.991 9.081 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.281 0.504 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.179 0.890 7.532 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.496 3.085 7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.320 2.699 6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.374 4.551 5.063 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.645 4.593 4.703 1.00 0.00 H new ATOM 211 N GLY A 33 4.040 -1.303 9.595 1.00 0.00 N ATOM 212 CA GLY A 33 3.723 -2.657 10.075 1.00 0.00 C ATOM 213 C GLY A 33 2.527 -3.294 9.365 1.00 0.00 C ATOM 214 O GLY A 33 1.604 -2.581 9.006 1.00 0.00 O ATOM 0 H GLY A 33 3.603 -0.560 10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.597 -3.295 9.941 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.520 -2.616 11.145 1.00 0.00 H new ATOM 215 N ALA A 34 2.488 -4.622 9.192 1.00 0.00 N ATOM 216 CA ALA A 34 1.421 -5.352 8.504 1.00 0.00 C ATOM 217 C ALA A 34 0.040 -4.912 8.957 1.00 0.00 C ATOM 218 O ALA A 34 -0.823 -4.655 8.128 1.00 0.00 O ATOM 219 CB ALA A 34 1.547 -6.866 8.736 1.00 0.00 C ATOM 0 H ALA A 34 3.224 -5.236 9.540 1.00 0.00 H new ATOM 0 HA ALA A 34 1.535 -5.125 7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.742 -7.382 8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.508 -7.214 8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.481 -7.077 9.803 1.00 0.00 H new ATOM 220 N GLU A 35 -0.175 -4.836 10.268 1.00 0.00 N ATOM 221 CA GLU A 35 -1.468 -4.427 10.799 1.00 0.00 C ATOM 222 C GLU A 35 -1.811 -3.021 10.292 1.00 0.00 C ATOM 223 O GLU A 35 -2.914 -2.776 9.809 1.00 0.00 O ATOM 224 CB GLU A 35 -1.431 -4.487 12.333 1.00 0.00 C ATOM 225 CG GLU A 35 -2.829 -4.282 12.929 1.00 0.00 C ATOM 226 CD GLU A 35 -2.795 -4.243 14.452 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.364 -5.259 15.038 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.201 -3.196 15.001 1.00 0.00 O ATOM 0 H GLU A 35 0.526 -5.051 10.977 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.249 -5.105 10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.034 -5.451 12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.755 -3.722 12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.252 -3.351 12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.486 -5.088 12.601 1.00 0.00 H new ATOM 229 N GLU A 36 -0.840 -2.114 10.402 1.00 0.00 N ATOM 230 CA GLU A 36 -0.939 -0.727 9.984 1.00 0.00 C ATOM 231 C GLU A 36 -1.307 -0.675 8.502 1.00 0.00 C ATOM 232 O GLU A 36 -2.349 -0.152 8.117 1.00 0.00 O ATOM 233 CB GLU A 36 0.429 -0.062 10.242 1.00 0.00 C ATOM 234 CG GLU A 36 0.394 1.469 10.271 1.00 0.00 C ATOM 235 CD GLU A 36 1.801 2.064 10.172 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.772 1.296 10.372 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.879 3.277 9.883 1.00 0.00 O ATOM 0 H GLU A 36 0.071 -2.341 10.801 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.711 -0.197 10.541 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.821 -0.422 11.193 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.127 -0.383 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.216 1.836 9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.081 1.806 11.193 1.00 0.00 H new ATOM 238 N LEU A 37 -0.428 -1.253 7.689 1.00 0.00 N ATOM 239 CA LEU A 37 -0.515 -1.352 6.254 1.00 0.00 C ATOM 240 C LEU A 37 -1.873 -1.905 5.857 1.00 0.00 C ATOM 241 O LEU A 37 -2.537 -1.331 5.010 1.00 0.00 O ATOM 242 CB LEU A 37 0.601 -2.287 5.773 1.00 0.00 C ATOM 243 CG LEU A 37 2.004 -1.670 5.880 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.047 -2.787 5.870 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.255 -0.745 4.690 1.00 0.00 C ATOM 0 H LEU A 37 0.419 -1.692 8.051 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.400 -0.369 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.571 -3.207 6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.412 -2.563 4.736 1.00 0.00 H new ATOM 0 HG LEU A 37 2.076 -1.099 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.044 -2.354 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.875 -3.453 6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.966 -3.352 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.251 -0.310 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.182 -1.315 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.511 0.051 4.685 1.00 0.00 H new ATOM 246 N TYR A 38 -2.304 -3.006 6.470 1.00 0.00 N ATOM 247 CA TYR A 38 -3.567 -3.631 6.134 1.00 0.00 C ATOM 248 C TYR A 38 -4.734 -2.726 6.494 1.00 0.00 C ATOM 249 O TYR A 38 -5.612 -2.530 5.664 1.00 0.00 O ATOM 250 CB TYR A 38 -3.673 -4.979 6.845 1.00 0.00 C ATOM 251 CG TYR A 38 -4.746 -5.959 6.382 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.566 -5.716 5.259 1.00 0.00 C ATOM 253 CD2 TYR A 38 -4.901 -7.164 7.095 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.571 -6.631 4.905 1.00 0.00 C ATOM 255 CE2 TYR A 38 -5.885 -8.095 6.718 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.729 -7.822 5.628 1.00 0.00 C ATOM 257 OH TYR A 38 -7.721 -8.692 5.288 1.00 0.00 O ATOM 0 H TYR A 38 -1.786 -3.482 7.208 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.607 -3.797 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.708 -5.478 6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.836 -4.784 7.905 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.420 -4.823 4.670 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.259 -7.374 7.938 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.225 -6.416 4.073 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.992 -9.020 7.266 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.694 -9.468 5.886 1.00 0.00 H new ATOM 258 N LYS A 39 -4.777 -2.158 7.701 1.00 0.00 N ATOM 259 CA LYS A 39 -5.846 -1.301 8.097 1.00 0.00 C ATOM 260 C LYS A 39 -5.920 -0.080 7.181 1.00 0.00 C ATOM 261 O LYS A 39 -7.005 0.339 6.782 1.00 0.00 O ATOM 262 CB LYS A 39 -5.521 -0.936 9.541 1.00 0.00 C ATOM 263 CG LYS A 39 -6.023 -1.996 10.527 1.00 0.00 C ATOM 264 CD LYS A 39 -5.703 -1.574 11.965 1.00 0.00 C ATOM 265 CE LYS A 39 -6.242 -2.611 12.957 1.00 0.00 C ATOM 266 NZ LYS A 39 -5.880 -2.273 14.344 1.00 0.00 N ATOM 0 H LYS A 39 -4.062 -2.292 8.416 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.827 -1.770 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.443 -0.819 9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.972 0.026 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.098 -2.131 10.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.555 -2.956 10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.625 -1.468 12.089 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.145 -0.599 12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.327 -2.671 12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.846 -3.595 12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.557 -2.716 14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.922 -2.623 14.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.905 -1.241 14.467 1.00 0.00 H new ATOM 267 N LYS A 40 -4.766 0.473 6.811 1.00 0.00 N ATOM 268 CA LYS A 40 -4.696 1.642 5.971 1.00 0.00 C ATOM 269 C LYS A 40 -5.116 1.310 4.535 1.00 0.00 C ATOM 270 O LYS A 40 -5.943 1.998 3.939 1.00 0.00 O ATOM 271 CB LYS A 40 -3.261 2.155 6.065 1.00 0.00 C ATOM 272 CG LYS A 40 -3.046 2.944 7.368 1.00 0.00 C ATOM 273 CD LYS A 40 -1.671 3.616 7.343 1.00 0.00 C ATOM 274 CE LYS A 40 -1.422 4.507 8.561 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.074 5.103 8.497 1.00 0.00 N ATOM 0 H LYS A 40 -3.855 0.112 7.093 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.388 2.418 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.567 1.316 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.041 2.792 5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.827 3.696 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.119 2.275 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.898 2.849 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.581 4.215 6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.173 5.296 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.524 3.921 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.084 6.035 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.603 4.483 8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.210 5.212 7.503 1.00 0.00 H new ATOM 276 N MET A 41 -4.568 0.236 3.974 1.00 0.00 N ATOM 277 CA MET A 41 -4.868 -0.192 2.625 1.00 0.00 C ATOM 278 C MET A 41 -6.336 -0.599 2.545 1.00 0.00 C ATOM 279 O MET A 41 -6.982 -0.321 1.544 1.00 0.00 O ATOM 280 CB MET A 41 -3.911 -1.318 2.245 1.00 0.00 C ATOM 281 CG MET A 41 -3.661 -1.397 0.740 1.00 0.00 C ATOM 282 SD MET A 41 -2.517 -2.693 0.185 1.00 0.00 S ATOM 283 CE MET A 41 -2.054 -3.491 1.744 1.00 0.00 C ATOM 0 H MET A 41 -3.897 -0.363 4.454 1.00 0.00 H new ATOM 0 HA MET A 41 -4.723 0.615 1.907 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.961 -1.171 2.760 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.318 -2.268 2.592 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.618 -1.548 0.241 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.276 -0.434 0.406 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.328 -4.280 1.547 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.614 -2.752 2.414 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.941 -3.921 2.210 1.00 0.00 H new ATOM 284 N LYS A 42 -6.874 -1.245 3.587 1.00 0.00 N ATOM 285 CA LYS A 42 -8.284 -1.601 3.643 1.00 0.00 C ATOM 286 C LYS A 42 -9.066 -0.290 3.695 1.00 0.00 C ATOM 287 O LYS A 42 -10.078 -0.140 3.017 1.00 0.00 O ATOM 288 CB LYS A 42 -8.559 -2.508 4.849 1.00 0.00 C ATOM 289 CG LYS A 42 -10.015 -2.989 4.856 1.00 0.00 C ATOM 290 CD LYS A 42 -10.235 -4.012 5.977 1.00 0.00 C ATOM 291 CE LYS A 42 -11.642 -4.619 5.912 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.696 -3.598 6.060 1.00 0.00 N ATOM 0 H LYS A 42 -6.341 -1.531 4.408 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.594 -2.173 2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.889 -3.367 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.347 -1.967 5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.684 -2.140 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.261 -3.437 3.893 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.491 -4.805 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.089 -3.531 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.770 -5.135 4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.750 -5.367 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.622 -4.064 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.513 -3.031 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.698 -2.977 5.226 1.00 0.00 H new ATOM 293 N GLY A 43 -8.576 0.672 4.485 1.00 0.00 N ATOM 294 CA GLY A 43 -9.152 1.996 4.580 1.00 0.00 C ATOM 295 C GLY A 43 -9.296 2.574 3.172 1.00 0.00 C ATOM 296 O GLY A 43 -10.374 3.042 2.820 1.00 0.00 O ATOM 0 H GLY A 43 -7.758 0.540 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.124 1.950 5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.518 2.640 5.189 1.00 0.00 H new ATOM 297 N TYR A 44 -8.238 2.523 2.353 1.00 0.00 N ATOM 298 CA TYR A 44 -8.308 3.022 0.988 1.00 0.00 C ATOM 299 C TYR A 44 -9.261 2.151 0.163 1.00 0.00 C ATOM 300 O TYR A 44 -10.132 2.684 -0.515 1.00 0.00 O ATOM 301 CB TYR A 44 -6.898 3.082 0.379 1.00 0.00 C ATOM 302 CG TYR A 44 -5.935 4.022 1.085 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.369 5.286 1.520 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.583 3.672 1.252 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.517 6.094 2.280 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.678 4.582 1.828 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.151 5.782 2.375 1.00 0.00 C ATOM 308 OH TYR A 44 -3.289 6.648 2.983 1.00 0.00 O ATOM 0 H TYR A 44 -7.330 2.141 2.617 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.707 4.036 0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.473 2.078 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.981 3.387 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.360 5.633 1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.238 2.699 0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.910 6.959 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.622 4.356 1.848 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.548 6.762 3.921 1.00 0.00 H new ATOM 309 N ALA A 45 -9.137 0.823 0.243 1.00 0.00 N ATOM 310 CA ALA A 45 -9.974 -0.132 -0.478 1.00 0.00 C ATOM 311 C ALA A 45 -11.459 0.216 -0.313 1.00 0.00 C ATOM 312 O ALA A 45 -12.204 0.261 -1.289 1.00 0.00 O ATOM 313 CB ALA A 45 -9.714 -1.553 0.030 1.00 0.00 C ATOM 0 H ALA A 45 -8.432 0.374 0.827 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.719 -0.079 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.344 -2.255 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.666 -1.809 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.947 -1.607 1.094 1.00 0.00 H new ATOM 314 N ASP A 46 -11.868 0.488 0.931 1.00 0.00 N ATOM 315 CA ASP A 46 -13.240 0.816 1.303 1.00 0.00 C ATOM 316 C ASP A 46 -13.504 2.329 1.316 1.00 0.00 C ATOM 317 O ASP A 46 -14.561 2.750 1.778 1.00 0.00 O ATOM 318 CB ASP A 46 -13.529 0.235 2.699 1.00 0.00 C ATOM 319 CG ASP A 46 -13.338 -1.278 2.793 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.593 -1.963 1.779 1.00 0.00 O ATOM 321 OD2 ASP A 46 -12.953 -1.729 3.894 1.00 0.00 O ATOM 0 H ASP A 46 -11.231 0.485 1.727 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.900 0.381 0.553 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.876 0.719 3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.554 0.480 2.978 1.00 0.00 H new ATOM 322 N GLY A 47 -12.563 3.156 0.847 1.00 0.00 N ATOM 323 CA GLY A 47 -12.691 4.610 0.818 1.00 0.00 C ATOM 324 C GLY A 47 -13.077 5.210 2.175 1.00 0.00 C ATOM 325 O GLY A 47 -13.807 6.197 2.230 1.00 0.00 O ATOM 0 H GLY A 47 -11.675 2.823 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.746 5.045 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.442 4.887 0.079 1.00 0.00 H new ATOM 326 N SER A 48 -12.562 4.636 3.267 1.00 0.00 N ATOM 327 CA SER A 48 -12.826 5.044 4.642 1.00 0.00 C ATOM 328 C SER A 48 -11.586 5.659 5.308 1.00 0.00 C ATOM 329 O SER A 48 -11.518 5.715 6.535 1.00 0.00 O ATOM 330 CB SER A 48 -13.310 3.809 5.412 1.00 0.00 C ATOM 331 OG SER A 48 -13.754 4.172 6.704 1.00 0.00 O ATOM 0 H SER A 48 -11.924 3.842 3.210 1.00 0.00 H new ATOM 0 HA SER A 48 -13.590 5.821 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.120 3.327 4.865 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.501 3.082 5.490 1.00 0.00 H new ATOM 0 HG SER A 48 -13.145 4.839 7.084 1.00 0.00 H new ATOM 332 N TYR A 49 -10.603 6.098 4.520 1.00 0.00 N ATOM 333 CA TYR A 49 -9.366 6.718 4.972 1.00 0.00 C ATOM 334 C TYR A 49 -8.816 7.463 3.764 1.00 0.00 C ATOM 335 O TYR A 49 -8.919 6.942 2.656 1.00 0.00 O ATOM 336 CB TYR A 49 -8.373 5.634 5.430 1.00 0.00 C ATOM 337 CG TYR A 49 -6.929 6.058 5.690 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.607 7.298 6.279 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.887 5.188 5.317 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.261 7.703 6.379 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.543 5.573 5.469 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.228 6.847 5.960 1.00 0.00 C ATOM 343 OH TYR A 49 -2.930 7.264 6.016 1.00 0.00 O ATOM 0 H TYR A 49 -10.654 6.026 3.504 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.530 7.388 5.816 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.762 5.188 6.346 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.361 4.849 4.674 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.392 7.938 6.654 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.122 4.216 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.022 8.677 6.780 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.752 4.886 5.207 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.366 6.648 5.504 1.00 0.00 H new ATOM 344 N GLY A 50 -8.283 8.673 3.943 1.00 0.00 N ATOM 345 CA GLY A 50 -7.695 9.396 2.836 1.00 0.00 C ATOM 346 C GLY A 50 -7.538 10.888 3.076 1.00 0.00 C ATOM 347 O GLY A 50 -7.720 11.406 4.175 1.00 0.00 O ATOM 0 H GLY A 50 -8.251 9.161 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.716 8.970 2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.312 9.245 1.950 1.00 0.00 H new ATOM 348 N GLY A 51 -7.129 11.516 1.984 1.00 0.00 N ATOM 349 CA GLY A 51 -6.806 12.865 1.667 1.00 0.00 C ATOM 350 C GLY A 51 -6.642 12.904 0.154 1.00 0.00 C ATOM 351 O GLY A 51 -6.858 11.897 -0.521 1.00 0.00 O ATOM 0 H GLY A 51 -6.998 10.952 1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.594 13.543 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.890 13.177 2.168 1.00 0.00 H new ATOM 352 N GLU A 52 -6.221 14.054 -0.353 1.00 0.00 N ATOM 353 CA GLU A 52 -6.038 14.304 -1.776 1.00 0.00 C ATOM 354 C GLU A 52 -5.237 13.184 -2.447 1.00 0.00 C ATOM 355 O GLU A 52 -5.729 12.506 -3.346 1.00 0.00 O ATOM 356 CB GLU A 52 -5.351 15.668 -1.948 1.00 0.00 C ATOM 357 CG GLU A 52 -5.196 16.062 -3.423 1.00 0.00 C ATOM 358 CD GLU A 52 -4.499 17.412 -3.555 1.00 0.00 C ATOM 359 OE1 GLU A 52 -3.284 17.448 -3.261 1.00 0.00 O ATOM 360 OE2 GLU A 52 -5.193 18.381 -3.932 1.00 0.00 O ATOM 0 H GLU A 52 -5.991 14.860 0.229 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.010 14.322 -2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.931 16.432 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.368 15.639 -1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.622 15.299 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.177 16.107 -3.897 1.00 0.00 H new ATOM 361 N ARG A 53 -4.004 12.970 -1.987 1.00 0.00 N ATOM 362 CA ARG A 53 -3.114 11.978 -2.574 1.00 0.00 C ATOM 363 C ARG A 53 -3.710 10.575 -2.479 1.00 0.00 C ATOM 364 O ARG A 53 -3.664 9.804 -3.438 1.00 0.00 O ATOM 365 CB ARG A 53 -1.758 12.051 -1.870 1.00 0.00 C ATOM 366 CG ARG A 53 -1.133 13.450 -1.997 1.00 0.00 C ATOM 367 CD ARG A 53 -0.764 14.024 -0.625 1.00 0.00 C ATOM 368 NE ARG A 53 -1.956 14.409 0.149 1.00 0.00 N ATOM 369 CZ ARG A 53 -2.270 13.989 1.386 1.00 0.00 C ATOM 370 NH1 ARG A 53 -1.609 12.988 1.979 1.00 0.00 N ATOM 371 NH2 ARG A 53 -3.260 14.600 2.044 1.00 0.00 N ATOM 0 H ARG A 53 -3.599 13.478 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.982 12.195 -3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.880 11.800 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.084 11.310 -2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.242 13.397 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.833 14.119 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.191 13.285 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.120 14.894 -0.757 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.606 15.057 -0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.844 12.522 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.870 12.691 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.763 15.372 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.512 14.295 2.984 1.00 0.00 H new ATOM 372 N LYS A 54 -4.313 10.256 -1.333 1.00 0.00 N ATOM 373 CA LYS A 54 -4.910 8.966 -1.078 1.00 0.00 C ATOM 374 C LYS A 54 -6.011 8.595 -2.089 1.00 0.00 C ATOM 375 O LYS A 54 -6.429 7.438 -2.155 1.00 0.00 O ATOM 376 CB LYS A 54 -5.424 8.922 0.342 1.00 0.00 C ATOM 377 CG LYS A 54 -4.292 9.029 1.382 1.00 0.00 C ATOM 378 CD LYS A 54 -3.835 10.431 1.805 1.00 0.00 C ATOM 379 CE LYS A 54 -3.767 10.520 3.342 1.00 0.00 C ATOM 380 NZ LYS A 54 -2.863 9.511 3.931 1.00 0.00 N ATOM 0 H LYS A 54 -4.396 10.905 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.134 8.212 -1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.132 9.737 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.970 7.992 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.610 8.497 2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.425 8.500 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.857 10.649 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.526 11.180 1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.430 11.516 3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.768 10.390 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.162 9.304 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.900 8.639 3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.890 9.878 3.938 1.00 0.00 H new ATOM 381 N ALA A 55 -6.520 9.556 -2.865 1.00 0.00 N ATOM 382 CA ALA A 55 -7.491 9.255 -3.910 1.00 0.00 C ATOM 383 C ALA A 55 -6.821 8.328 -4.936 1.00 0.00 C ATOM 384 O ALA A 55 -7.418 7.353 -5.396 1.00 0.00 O ATOM 385 CB ALA A 55 -7.966 10.552 -4.570 1.00 0.00 C ATOM 0 H ALA A 55 -6.275 10.543 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.365 8.758 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.691 10.319 -5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.432 11.192 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.114 11.070 -5.010 1.00 0.00 H new ATOM 386 N MET A 56 -5.555 8.618 -5.267 1.00 0.00 N ATOM 387 CA MET A 56 -4.776 7.816 -6.202 1.00 0.00 C ATOM 388 C MET A 56 -4.636 6.412 -5.616 1.00 0.00 C ATOM 389 O MET A 56 -4.848 5.411 -6.296 1.00 0.00 O ATOM 390 CB MET A 56 -3.400 8.460 -6.435 1.00 0.00 C ATOM 391 CG MET A 56 -3.528 9.882 -6.998 1.00 0.00 C ATOM 392 SD MET A 56 -1.962 10.708 -7.380 1.00 0.00 S ATOM 393 CE MET A 56 -1.558 9.923 -8.957 1.00 0.00 C ATOM 0 H MET A 56 -5.047 9.418 -4.890 1.00 0.00 H new ATOM 0 HA MET A 56 -5.277 7.760 -7.169 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.848 8.489 -5.496 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.823 7.845 -7.126 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.130 9.843 -7.906 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.075 10.492 -6.279 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.616 10.323 -9.331 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.465 8.846 -8.814 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.350 10.126 -9.678 1.00 0.00 H new ATOM 394 N MET A 57 -4.301 6.355 -4.326 1.00 0.00 N ATOM 395 CA MET A 57 -4.162 5.110 -3.593 1.00 0.00 C ATOM 396 C MET A 57 -5.440 4.289 -3.706 1.00 0.00 C ATOM 397 O MET A 57 -5.402 3.128 -4.095 1.00 0.00 O ATOM 398 CB MET A 57 -3.860 5.421 -2.123 1.00 0.00 C ATOM 399 CG MET A 57 -2.359 5.427 -1.854 1.00 0.00 C ATOM 400 SD MET A 57 -1.571 3.855 -2.243 1.00 0.00 S ATOM 401 CE MET A 57 -2.515 2.680 -1.243 1.00 0.00 C ATOM 0 H MET A 57 -4.118 7.184 -3.761 1.00 0.00 H new ATOM 0 HA MET A 57 -3.342 4.530 -4.016 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.282 6.391 -1.860 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.343 4.680 -1.486 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.893 6.217 -2.443 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.184 5.666 -0.805 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.259 1.663 -1.539 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.274 2.823 -0.190 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.581 2.846 -1.397 1.00 0.00 H new ATOM 402 N THR A 58 -6.577 4.895 -3.371 1.00 0.00 N ATOM 403 CA THR A 58 -7.875 4.244 -3.451 1.00 0.00 C ATOM 404 C THR A 58 -8.037 3.627 -4.843 1.00 0.00 C ATOM 405 O THR A 58 -8.302 2.430 -4.975 1.00 0.00 O ATOM 406 CB THR A 58 -8.957 5.288 -3.133 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.725 5.806 -1.835 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.366 4.696 -3.210 1.00 0.00 C ATOM 0 H THR A 58 -6.620 5.857 -3.035 1.00 0.00 H new ATOM 0 HA THR A 58 -7.967 3.434 -2.727 1.00 0.00 H new ATOM 0 HB THR A 58 -8.897 6.081 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.019 6.485 -1.875 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.099 5.469 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.546 4.315 -4.215 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.458 3.881 -2.492 1.00 0.00 H new ATOM 409 N ASN A 59 -7.822 4.442 -5.881 1.00 0.00 N ATOM 410 CA ASN A 59 -7.902 3.987 -7.262 1.00 0.00 C ATOM 411 C ASN A 59 -6.932 2.824 -7.516 1.00 0.00 C ATOM 412 O ASN A 59 -7.240 1.931 -8.302 1.00 0.00 O ATOM 413 CB ASN A 59 -7.618 5.167 -8.198 1.00 0.00 C ATOM 414 CG ASN A 59 -7.556 4.720 -9.653 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.583 4.590 -10.309 1.00 0.00 O ATOM 416 ND2 ASN A 59 -6.356 4.480 -10.172 1.00 0.00 N ATOM 0 H ASN A 59 -7.589 5.430 -5.782 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.906 3.613 -7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.396 5.922 -8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.674 5.636 -7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.271 4.178 -11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.520 4.598 -9.600 1.00 0.00 H new ATOM 417 N ALA A 60 -5.767 2.823 -6.864 1.00 0.00 N ATOM 418 CA ALA A 60 -4.770 1.777 -7.022 1.00 0.00 C ATOM 419 C ALA A 60 -5.188 0.461 -6.358 1.00 0.00 C ATOM 420 O ALA A 60 -5.088 -0.593 -6.984 1.00 0.00 O ATOM 421 CB ALA A 60 -3.432 2.239 -6.421 1.00 0.00 C ATOM 0 H ALA A 60 -5.493 3.555 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.668 1.592 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.688 1.452 -6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.094 3.139 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.564 2.454 -5.361 1.00 0.00 H new ATOM 422 N VAL A 61 -5.660 0.497 -5.105 1.00 0.00 N ATOM 423 CA VAL A 61 -5.928 -0.744 -4.380 1.00 0.00 C ATOM 424 C VAL A 61 -7.323 -1.317 -4.633 1.00 0.00 C ATOM 425 O VAL A 61 -7.507 -2.511 -4.404 1.00 0.00 O ATOM 426 CB VAL A 61 -5.726 -0.553 -2.861 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.575 0.373 -2.480 1.00 0.00 C ATOM 428 CG2 VAL A 61 -6.958 -0.189 -2.047 1.00 0.00 C ATOM 0 H VAL A 61 -5.859 1.352 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.208 -1.464 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.463 -1.573 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.511 0.446 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.640 -0.027 -2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.750 1.363 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.683 -0.084 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.369 0.753 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.706 -0.975 -2.149 1.00 0.00 H new ATOM 429 N LYS A 62 -8.306 -0.519 -5.076 1.00 0.00 N ATOM 430 CA LYS A 62 -9.680 -0.999 -5.265 1.00 0.00 C ATOM 431 C LYS A 62 -9.789 -2.332 -6.025 1.00 0.00 C ATOM 432 O LYS A 62 -10.733 -3.083 -5.802 1.00 0.00 O ATOM 433 CB LYS A 62 -10.538 0.079 -5.948 1.00 0.00 C ATOM 434 CG LYS A 62 -10.178 0.320 -7.420 1.00 0.00 C ATOM 435 CD LYS A 62 -11.109 1.372 -8.035 1.00 0.00 C ATOM 436 CE LYS A 62 -10.935 1.447 -9.558 1.00 0.00 C ATOM 437 NZ LYS A 62 -9.600 1.935 -9.948 1.00 0.00 N ATOM 0 H LYS A 62 -8.172 0.465 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.060 -1.199 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.587 -0.211 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.431 1.015 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.143 0.652 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.256 -0.614 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.144 1.129 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.901 2.347 -7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.098 0.459 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.696 2.106 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.302 1.467 -10.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.637 2.963 -10.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.918 1.720 -9.193 1.00 0.00 H new ATOM 438 N LYS A 63 -8.849 -2.625 -6.930 1.00 0.00 N ATOM 439 CA LYS A 63 -8.871 -3.854 -7.714 1.00 0.00 C ATOM 440 C LYS A 63 -8.605 -5.116 -6.877 1.00 0.00 C ATOM 441 O LYS A 63 -8.877 -6.218 -7.349 1.00 0.00 O ATOM 442 CB LYS A 63 -7.870 -3.729 -8.873 1.00 0.00 C ATOM 443 CG LYS A 63 -6.399 -3.652 -8.436 1.00 0.00 C ATOM 444 CD LYS A 63 -5.511 -3.494 -9.679 1.00 0.00 C ATOM 445 CE LYS A 63 -4.023 -3.626 -9.337 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.558 -2.540 -8.457 1.00 0.00 N ATOM 0 H LYS A 63 -8.057 -2.016 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.880 -3.978 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.994 -4.584 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.112 -2.837 -9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.252 -2.810 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.122 -4.553 -7.889 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.782 -4.248 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.694 -2.521 -10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.847 -4.586 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.438 -3.622 -10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.925 -1.909 -8.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.376 -1.999 -8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.044 -2.944 -7.649 1.00 0.00 H new ATOM 447 N TYR A 64 -8.037 -4.991 -5.673 1.00 0.00 N ATOM 448 CA TYR A 64 -7.733 -6.105 -4.807 1.00 0.00 C ATOM 449 C TYR A 64 -8.964 -6.515 -3.997 1.00 0.00 C ATOM 450 O TYR A 64 -10.106 -6.144 -4.255 1.00 0.00 O ATOM 451 CB TYR A 64 -6.546 -5.676 -3.924 1.00 0.00 C ATOM 452 CG TYR A 64 -5.279 -5.333 -4.686 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.746 -6.202 -5.660 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.605 -4.142 -4.383 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.561 -5.863 -6.339 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.462 -3.775 -5.106 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.911 -4.652 -6.054 1.00 0.00 C ATOM 458 OH TYR A 64 -1.764 -4.303 -6.706 1.00 0.00 O ATOM 0 H TYR A 64 -7.775 -4.088 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.455 -6.992 -5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.844 -4.810 -3.334 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.325 -6.479 -3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.249 -7.131 -5.886 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.968 -3.505 -3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.152 -6.534 -7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.003 -2.813 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.102 -5.019 -6.610 1.00 0.00 H new ATOM 459 N SER A 65 -8.695 -7.362 -3.020 1.00 0.00 N ATOM 460 CA SER A 65 -9.609 -7.955 -2.057 1.00 0.00 C ATOM 461 C SER A 65 -8.813 -8.285 -0.796 1.00 0.00 C ATOM 462 O SER A 65 -7.586 -8.308 -0.846 1.00 0.00 O ATOM 463 CB SER A 65 -10.255 -9.190 -2.686 1.00 0.00 C ATOM 464 OG SER A 65 -11.135 -8.781 -3.717 1.00 0.00 O ATOM 0 H SER A 65 -7.739 -7.683 -2.865 1.00 0.00 H new ATOM 0 HA SER A 65 -10.414 -7.273 -1.783 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.488 -9.852 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.800 -9.755 -1.930 1.00 0.00 H new ATOM 0 HG SER A 65 -10.984 -7.834 -3.919 1.00 0.00 H new ATOM 465 N ASP A 66 -9.506 -8.521 0.322 1.00 0.00 N ATOM 466 CA ASP A 66 -8.937 -8.820 1.637 1.00 0.00 C ATOM 467 C ASP A 66 -7.662 -9.674 1.580 1.00 0.00 C ATOM 468 O ASP A 66 -6.655 -9.307 2.179 1.00 0.00 O ATOM 469 CB ASP A 66 -10.005 -9.489 2.521 1.00 0.00 C ATOM 470 CG ASP A 66 -10.370 -10.913 2.100 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.425 -11.154 0.873 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.571 -11.739 3.015 1.00 0.00 O ATOM 0 H ASP A 66 -10.526 -8.508 0.334 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.632 -7.869 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.648 -9.508 3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.907 -8.876 2.507 1.00 0.00 H new ATOM 473 N GLU A 67 -7.689 -10.792 0.851 1.00 0.00 N ATOM 474 CA GLU A 67 -6.545 -11.693 0.746 1.00 0.00 C ATOM 475 C GLU A 67 -5.355 -10.948 0.133 1.00 0.00 C ATOM 476 O GLU A 67 -4.266 -10.916 0.705 1.00 0.00 O ATOM 477 CB GLU A 67 -6.953 -12.941 -0.057 1.00 0.00 C ATOM 478 CG GLU A 67 -5.932 -14.091 0.024 1.00 0.00 C ATOM 479 CD GLU A 67 -4.860 -14.041 -1.063 1.00 0.00 C ATOM 480 OE1 GLU A 67 -3.850 -13.331 -0.869 1.00 0.00 O ATOM 481 OE2 GLU A 67 -5.041 -14.732 -2.091 1.00 0.00 O ATOM 0 H GLU A 67 -8.504 -11.096 0.319 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.229 -12.033 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.917 -13.297 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.090 -12.661 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.448 -14.066 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.462 -15.041 -0.045 1.00 0.00 H new ATOM 482 N GLU A 68 -5.569 -10.338 -1.033 1.00 0.00 N ATOM 483 CA GLU A 68 -4.557 -9.573 -1.740 1.00 0.00 C ATOM 484 C GLU A 68 -4.024 -8.466 -0.827 1.00 0.00 C ATOM 485 O GLU A 68 -2.816 -8.282 -0.741 1.00 0.00 O ATOM 486 CB GLU A 68 -5.164 -8.973 -3.015 1.00 0.00 C ATOM 487 CG GLU A 68 -5.314 -9.937 -4.197 1.00 0.00 C ATOM 488 CD GLU A 68 -5.946 -11.269 -3.822 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.089 -11.235 -3.316 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.252 -12.291 -4.028 1.00 0.00 O ATOM 0 H GLU A 68 -6.467 -10.366 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.730 -10.226 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.147 -8.569 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.544 -8.134 -3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.920 -9.461 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.332 -10.120 -4.632 1.00 0.00 H new ATOM 491 N LEU A 69 -4.909 -7.727 -0.153 1.00 0.00 N ATOM 492 CA LEU A 69 -4.507 -6.659 0.756 1.00 0.00 C ATOM 493 C LEU A 69 -3.615 -7.217 1.865 1.00 0.00 C ATOM 494 O LEU A 69 -2.554 -6.664 2.149 1.00 0.00 O ATOM 495 CB LEU A 69 -5.736 -5.984 1.373 1.00 0.00 C ATOM 496 CG LEU A 69 -6.636 -5.245 0.373 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.730 -4.534 1.170 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.850 -4.213 -0.437 1.00 0.00 C ATOM 0 H LEU A 69 -5.919 -7.854 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.948 -5.917 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.330 -6.741 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.402 -5.276 2.131 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.056 -5.964 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.388 -3.998 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.309 -5.269 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.274 -3.827 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.520 -3.710 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.411 -3.478 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.058 -4.714 -0.993 1.00 0.00 H new ATOM 499 N LYS A 70 -4.044 -8.310 2.497 1.00 0.00 N ATOM 500 CA LYS A 70 -3.291 -8.960 3.555 1.00 0.00 C ATOM 501 C LYS A 70 -1.910 -9.343 3.018 1.00 0.00 C ATOM 502 O LYS A 70 -0.899 -9.061 3.657 1.00 0.00 O ATOM 503 CB LYS A 70 -4.100 -10.166 4.059 1.00 0.00 C ATOM 504 CG LYS A 70 -3.529 -10.869 5.302 1.00 0.00 C ATOM 505 CD LYS A 70 -2.330 -11.804 5.060 1.00 0.00 C ATOM 506 CE LYS A 70 -2.538 -12.827 3.933 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.783 -13.597 4.105 1.00 0.00 N ATOM 0 H LYS A 70 -4.930 -8.767 2.283 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.130 -8.296 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.114 -9.834 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.175 -10.895 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.230 -10.106 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.328 -11.448 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.454 -11.198 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.111 -12.339 5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.562 -12.309 2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.690 -13.511 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.825 -14.353 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.803 -14.017 5.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.601 -12.965 3.988 1.00 0.00 H new ATOM 508 N ALA A 71 -1.851 -9.951 1.830 1.00 0.00 N ATOM 509 CA ALA A 71 -0.595 -10.366 1.226 1.00 0.00 C ATOM 510 C ALA A 71 0.290 -9.153 0.942 1.00 0.00 C ATOM 511 O ALA A 71 1.484 -9.168 1.237 1.00 0.00 O ATOM 512 CB ALA A 71 -0.881 -11.152 -0.052 1.00 0.00 C ATOM 0 H ALA A 71 -2.673 -10.166 1.266 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.056 -11.011 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.060 -11.464 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.477 -12.032 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.430 -10.522 -0.752 1.00 0.00 H new ATOM 513 N LEU A 72 -0.279 -8.093 0.366 1.00 0.00 N ATOM 514 CA LEU A 72 0.466 -6.886 0.074 1.00 0.00 C ATOM 515 C LEU A 72 1.062 -6.325 1.354 1.00 0.00 C ATOM 516 O LEU A 72 2.245 -5.993 1.393 1.00 0.00 O ATOM 517 CB LEU A 72 -0.503 -5.861 -0.497 1.00 0.00 C ATOM 518 CG LEU A 72 -0.689 -6.058 -1.989 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.631 -4.977 -2.454 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.629 -5.800 -2.689 1.00 0.00 C ATOM 0 H LEU A 72 -1.261 -8.055 0.094 1.00 0.00 H new ATOM 0 HA LEU A 72 1.267 -7.107 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.466 -5.946 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.129 -4.855 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.053 -7.064 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.798 -5.076 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.581 -5.072 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.196 -4.000 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.504 -5.940 -3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.952 -4.778 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.381 -6.497 -2.318 1.00 0.00 H new ATOM 521 N ALA A 73 0.228 -6.190 2.389 1.00 0.00 N ATOM 522 CA ALA A 73 0.683 -5.665 3.658 1.00 0.00 C ATOM 523 C ALA A 73 1.739 -6.596 4.233 1.00 0.00 C ATOM 524 O ALA A 73 2.668 -6.114 4.858 1.00 0.00 O ATOM 525 CB ALA A 73 -0.475 -5.528 4.649 1.00 0.00 C ATOM 0 H ALA A 73 -0.761 -6.439 2.363 1.00 0.00 H new ATOM 0 HA ALA A 73 1.105 -4.674 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.101 -5.131 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.224 -4.849 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.926 -6.506 4.820 1.00 0.00 H new ATOM 526 N ASP A 74 1.605 -7.915 4.064 1.00 0.00 N ATOM 527 CA ASP A 74 2.611 -8.851 4.543 1.00 0.00 C ATOM 528 C ASP A 74 3.945 -8.504 3.874 1.00 0.00 C ATOM 529 O ASP A 74 4.949 -8.351 4.568 1.00 0.00 O ATOM 530 CB ASP A 74 2.190 -10.296 4.259 1.00 0.00 C ATOM 531 CG ASP A 74 3.228 -11.270 4.795 1.00 0.00 C ATOM 532 OD1 ASP A 74 4.170 -11.578 4.033 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.074 -11.679 5.966 1.00 0.00 O ATOM 0 H ASP A 74 0.809 -8.352 3.599 1.00 0.00 H new ATOM 0 HA ASP A 74 2.720 -8.767 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.223 -10.496 4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.067 -10.441 3.186 1.00 0.00 H new ATOM 534 N TYR A 75 3.948 -8.330 2.543 1.00 0.00 N ATOM 535 CA TYR A 75 5.162 -7.952 1.822 1.00 0.00 C ATOM 536 C TYR A 75 5.671 -6.624 2.385 1.00 0.00 C ATOM 537 O TYR A 75 6.785 -6.565 2.902 1.00 0.00 O ATOM 538 CB TYR A 75 4.933 -7.866 0.302 1.00 0.00 C ATOM 539 CG TYR A 75 6.109 -7.236 -0.438 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.274 -7.994 -0.660 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.133 -5.851 -0.702 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.429 -7.387 -1.185 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.314 -5.233 -1.160 1.00 0.00 C ATOM 544 CZ TYR A 75 8.457 -6.003 -1.429 1.00 0.00 C ATOM 545 OH TYR A 75 9.599 -5.429 -1.915 1.00 0.00 O ATOM 0 H TYR A 75 3.125 -8.446 1.952 1.00 0.00 H new ATOM 0 HA TYR A 75 5.915 -8.727 1.969 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.756 -8.867 -0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.033 -7.283 0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.281 -9.048 -0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.241 -5.260 -0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.300 -7.988 -1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.340 -4.163 -1.305 1.00 0.00 H new ATOM 0 HH TYR A 75 9.452 -4.469 -2.046 1.00 0.00 H new ATOM 546 N MET A 76 4.871 -5.554 2.298 1.00 0.00 N ATOM 547 CA MET A 76 5.287 -4.262 2.841 1.00 0.00 C ATOM 548 C MET A 76 5.738 -4.334 4.313 1.00 0.00 C ATOM 549 O MET A 76 6.594 -3.573 4.741 1.00 0.00 O ATOM 550 CB MET A 76 4.126 -3.288 2.694 1.00 0.00 C ATOM 551 CG MET A 76 3.943 -2.829 1.248 1.00 0.00 C ATOM 552 SD MET A 76 2.630 -1.607 1.035 1.00 0.00 S ATOM 553 CE MET A 76 1.188 -2.666 1.188 1.00 0.00 C ATOM 0 H MET A 76 3.948 -5.559 1.864 1.00 0.00 H new ATOM 0 HA MET A 76 6.158 -3.926 2.279 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.209 -3.762 3.043 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.298 -2.420 3.331 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.882 -2.407 0.888 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.724 -3.697 0.626 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.356 -2.230 0.635 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.416 -3.652 0.783 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.915 -2.760 2.239 1.00 0.00 H new ATOM 554 N SER A 77 5.189 -5.237 5.118 1.00 0.00 N ATOM 555 CA SER A 77 5.584 -5.352 6.521 1.00 0.00 C ATOM 556 C SER A 77 6.996 -5.911 6.671 1.00 0.00 C ATOM 557 O SER A 77 7.552 -5.824 7.765 1.00 0.00 O ATOM 558 CB SER A 77 4.608 -6.227 7.296 1.00 0.00 C ATOM 559 OG SER A 77 4.830 -6.074 8.690 1.00 0.00 O ATOM 0 H SER A 77 4.471 -5.900 4.826 1.00 0.00 H new ATOM 0 HA SER A 77 5.567 -4.343 6.933 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.583 -5.951 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.735 -7.271 7.010 1.00 0.00 H new ATOM 0 HG SER A 77 5.754 -5.786 8.844 1.00 0.00 H new ATOM 560 N LYS A 78 7.536 -6.549 5.629 1.00 0.00 N ATOM 561 CA LYS A 78 8.899 -7.059 5.619 1.00 0.00 C ATOM 562 C LYS A 78 9.800 -6.025 4.926 1.00 0.00 C ATOM 563 O LYS A 78 10.911 -6.357 4.517 1.00 0.00 O ATOM 564 CB LYS A 78 8.934 -8.417 4.902 1.00 0.00 C ATOM 565 CG LYS A 78 8.131 -9.470 5.673 1.00 0.00 C ATOM 566 CD LYS A 78 8.168 -10.812 4.930 1.00 0.00 C ATOM 567 CE LYS A 78 7.578 -11.944 5.780 1.00 0.00 C ATOM 568 NZ LYS A 78 6.170 -11.693 6.128 1.00 0.00 N ATOM 0 H LYS A 78 7.029 -6.725 4.762 1.00 0.00 H new ATOM 0 HA LYS A 78 9.264 -7.214 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.528 -8.311 3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.967 -8.749 4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.542 -9.589 6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.099 -9.138 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.610 -10.728 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.197 -11.054 4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.655 -12.885 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.163 -12.055 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.799 -12.497 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.103 -10.826 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.612 -11.578 5.258 1.00 0.00 H new ATOM 569 N LEU A 79 9.305 -4.791 4.776 1.00 0.00 N ATOM 570 CA LEU A 79 9.980 -3.673 4.159 1.00 0.00 C ATOM 571 C LEU A 79 10.536 -2.804 5.278 1.00 0.00 C ATOM 572 O LEU A 79 9.701 -2.224 6.004 1.00 0.00 O ATOM 573 CB LEU A 79 8.935 -2.930 3.312 1.00 0.00 C ATOM 574 CG LEU A 79 9.438 -2.307 2.019 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.648 -3.433 1.031 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.347 -1.442 1.391 1.00 0.00 C ATOM 577 OXT LEU A 79 11.777 -2.742 5.400 1.00 0.00 O ATOM 0 H LEU A 79 8.371 -4.546 5.104 1.00 0.00 H new ATOM 0 HA LEU A 79 10.806 -3.969 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.134 -3.627 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.496 -2.142 3.924 1.00 0.00 H new ATOM 0 HG LEU A 79 10.335 -1.725 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.010 -3.026 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.382 -4.134 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.704 -3.952 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.719 -1.002 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.474 -2.058 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.068 -0.648 2.084 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.772 3.817 -2.225 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.836 4.998 0.945 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.025 0.697 -1.011 1.00 7.91 C HETATM 582 CHC HEM A 80 0.599 2.644 -5.409 1.00 6.02 C HETATM 583 CHD HEM A 80 1.337 6.992 -3.424 1.00 10.53 C HETATM 584 NA HEM A 80 0.596 2.984 -0.415 1.00 6.22 N HETATM 585 C1A HEM A 80 0.710 3.635 0.785 1.00 6.23 C HETATM 586 C2A HEM A 80 0.609 2.717 1.878 1.00 8.27 C HETATM 587 C3A HEM A 80 0.185 1.542 1.361 1.00 7.07 C HETATM 588 C4A HEM A 80 0.252 1.688 -0.082 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.248 0.323 2.125 1.00 7.00 C HETATM 590 CAA HEM A 80 0.901 3.073 3.305 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.269 3.646 4.110 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.134 5.138 4.405 1.00 22.27 C HETATM 593 O1A HEM A 80 0.987 5.594 4.625 1.00 18.65 O HETATM 594 O2A HEM A 80 -1.158 5.819 4.413 1.00 17.21 O HETATM 595 NB HEM A 80 0.282 2.067 -3.043 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.063 0.899 -2.390 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.501 -0.080 -3.348 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.205 0.410 -4.579 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.249 1.766 -4.390 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.108 -1.404 -2.992 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.287 -0.304 -5.904 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.659 -0.851 -6.296 1.00 6.48 C HETATM 603 NC HEM A 80 0.956 4.643 -4.039 1.00 3.58 N HETATM 604 C1C HEM A 80 0.839 3.996 -5.248 1.00 4.45 C HETATM 605 C2C HEM A 80 1.061 4.902 -6.342 1.00 5.77 C HETATM 606 C3C HEM A 80 1.455 6.079 -5.794 1.00 8.44 C HETATM 607 C4C HEM A 80 1.259 5.954 -4.353 1.00 11.13 C HETATM 608 CMC HEM A 80 0.965 4.512 -7.797 1.00 8.62 C HETATM 609 CAC HEM A 80 2.016 7.277 -6.523 1.00 3.39 C HETATM 610 CBC HEM A 80 0.941 8.124 -7.213 1.00 10.94 C HETATM 611 ND HEM A 80 0.914 5.657 -1.408 1.00 4.28 N HETATM 612 C1D HEM A 80 1.126 6.868 -2.041 1.00 5.02 C HETATM 613 C2D HEM A 80 1.106 7.944 -1.042 1.00 3.97 C HETATM 614 C3D HEM A 80 0.963 7.354 0.184 1.00 5.11 C HETATM 615 C4D HEM A 80 0.892 5.941 -0.060 1.00 9.05 C HETATM 616 CMD HEM A 80 1.156 9.426 -1.331 1.00 5.28 C HETATM 617 CAD HEM A 80 0.963 7.976 1.578 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.351 8.671 1.933 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.130 10.153 2.205 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.192 10.542 3.368 1.00 8.25 O HETATM 621 O2D HEM A 80 0.067 10.902 1.251 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.979 -0.233 1.538 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.697 0.627 3.071 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.617 -0.310 2.321 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.804 -1.707 -3.774 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.641 -1.317 -2.045 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.320 -2.152 -2.897 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.647 5.373 -8.384 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.239 3.707 -7.911 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.940 4.173 -8.148 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.717 9.599 -2.249 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.645 9.942 -0.504 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.142 9.808 -1.448 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.786 -1.378 -7.242 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.511 -0.714 -5.630 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.225 9.016 -7.772 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.108 7.835 -7.145 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.351 3.104 5.052 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.195 3.475 3.561 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.714 3.799 3.318 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.263 2.180 3.814 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.791 8.198 2.811 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.062 8.550 1.116 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.777 8.698 1.646 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.165 7.198 2.315 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.897 5.365 1.959 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.225 -0.298 -0.642 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.691 2.238 -6.406 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.580 7.975 -3.800 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.585 -0.424 -6.547 1.00 6.35 H new HETATM 0 HAC HEM A 80 3.079 7.515 -6.555 1.00 3.39 H new