USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=29 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 38 TYR OH : rot 130:sc= 0.577 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -161:sc= 0.612 (180deg=-0.277) USER MOD Set 2.1: A 41 MET CE :methyl -158:sc= -0.367 (180deg=-0.631) USER MOD Set 2.2: A 76 MET CE :methyl 140:sc= -0.851 (180deg=-4.26!) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -1.72 (180deg=-4.57!) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -122:sc= 0.635 (180deg=0.365) USER MOD Set 3.2: A 32 GLN : amide:sc= -0.101 K(o=1.4,f=-3.2!) USER MOD Set 3.3: A 40 LYS NZ :NH3+ 157:sc= 0.884 (180deg=0.481) USER MOD Set 4.1: A 9 SER OG : rot 92:sc= 1.02 USER MOD Set 4.2: A 64 TYR OH : rot -130:sc= 0.302 USER MOD Set 5.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 75 TYR OH : rot -42:sc= 1.18 USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0.838 (180deg=0.785) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.577 USER MOD Single : A 19 SER OG : rot -113:sc= 1.4 USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0163) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0.732 (180deg=0.683) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0468) USER MOD Single : A 44 TYR OH : rot 156:sc= 1.16 USER MOD Single : A 48 SER OG : rot -50:sc= 0.604 USER MOD Single : A 49 TYR OH : rot -163:sc= 0.658 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0836) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 163:sc= -2.97 (180deg=-4.77) USER MOD Single : A 58 THR OG1 : rot -73:sc= 1.08 USER MOD Single : A 59 ASN : amide:sc= -0.116! X(o=-0.12!,f=-0.024) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.28 (180deg=0.597) USER MOD Single : A 65 SER OG : rot 79:sc= 0.961 USER MOD Single : A 70 LYS NZ :NH3+ -117:sc= 0.0437 (180deg=-0.82) USER MOD Single : A 77 SER OG : rot -33:sc= 0.291 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc=-6.61e-05 (180deg=-0.0274) USER MOD Single : A 80 HEM CMB :methyl -30:sc= -1.2 (180deg=-1.64) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.596 (180deg=-0.596) USER MOD Single : A 80 HEM CMD :methyl 150:sc= -0.711 (180deg=-0.711) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.847 -13.087 -4.021 1.00 0.00 N ATOM 2 CA ALA A 1 -1.644 -13.505 -4.764 1.00 0.00 C ATOM 3 C ALA A 1 -0.413 -13.029 -3.994 1.00 0.00 C ATOM 4 O ALA A 1 -0.591 -12.415 -2.947 1.00 0.00 O ATOM 5 CB ALA A 1 -1.665 -12.942 -6.190 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.691 -13.502 -4.465 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.778 -13.413 -3.036 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.922 -12.050 -4.038 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.617 -14.591 -4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.769 -13.262 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.548 -13.310 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.694 -11.853 -6.151 1.00 0.00 H new ATOM 6 N ASP A 2 0.800 -13.296 -4.484 1.00 0.00 N ATOM 7 CA ASP A 2 2.028 -12.896 -3.805 1.00 0.00 C ATOM 8 C ASP A 2 2.095 -11.379 -3.592 1.00 0.00 C ATOM 9 O ASP A 2 2.018 -10.602 -4.545 1.00 0.00 O ATOM 10 CB ASP A 2 3.239 -13.363 -4.624 1.00 0.00 C ATOM 11 CG ASP A 2 4.559 -12.788 -4.110 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.652 -12.531 -2.888 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.448 -12.590 -4.963 1.00 0.00 O ATOM 0 H ASP A 2 0.955 -13.794 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 2 2.038 -13.366 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.289 -14.452 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.102 -13.071 -5.665 1.00 0.00 H new ATOM 14 N GLY A 3 2.279 -10.964 -2.337 1.00 0.00 N ATOM 15 CA GLY A 3 2.417 -9.567 -1.973 1.00 0.00 C ATOM 16 C GLY A 3 3.569 -8.939 -2.749 1.00 0.00 C ATOM 17 O GLY A 3 3.427 -7.855 -3.310 1.00 0.00 O ATOM 0 H GLY A 3 2.336 -11.601 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.490 -9.034 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.597 -9.478 -0.902 1.00 0.00 H new ATOM 18 N ALA A 4 4.703 -9.642 -2.834 1.00 0.00 N ATOM 19 CA ALA A 4 5.860 -9.140 -3.561 1.00 0.00 C ATOM 20 C ALA A 4 5.615 -9.030 -5.067 1.00 0.00 C ATOM 21 O ALA A 4 6.466 -8.486 -5.764 1.00 0.00 O ATOM 22 CB ALA A 4 7.088 -10.001 -3.248 1.00 0.00 C ATOM 0 H ALA A 4 4.838 -10.558 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 4 6.047 -8.122 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.949 -9.619 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.294 -9.966 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.896 -11.031 -3.547 1.00 0.00 H new ATOM 23 N ALA A 5 4.486 -9.527 -5.581 1.00 0.00 N ATOM 24 CA ALA A 5 4.131 -9.381 -6.980 1.00 0.00 C ATOM 25 C ALA A 5 3.147 -8.218 -7.065 1.00 0.00 C ATOM 26 O ALA A 5 3.375 -7.265 -7.808 1.00 0.00 O ATOM 27 CB ALA A 5 3.532 -10.681 -7.525 1.00 0.00 C ATOM 0 H ALA A 5 3.797 -10.041 -5.031 1.00 0.00 H new ATOM 0 HA ALA A 5 5.008 -9.173 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.273 -10.550 -8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.261 -11.486 -7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.636 -10.934 -6.959 1.00 0.00 H new ATOM 28 N LEU A 6 2.082 -8.255 -6.255 1.00 0.00 N ATOM 29 CA LEU A 6 1.064 -7.229 -6.246 1.00 0.00 C ATOM 30 C LEU A 6 1.678 -5.851 -5.987 1.00 0.00 C ATOM 31 O LEU A 6 1.271 -4.882 -6.637 1.00 0.00 O ATOM 32 CB LEU A 6 0.033 -7.584 -5.172 1.00 0.00 C ATOM 33 CG LEU A 6 -0.779 -8.854 -5.474 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.374 -9.374 -4.162 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.912 -8.564 -6.464 1.00 0.00 C ATOM 0 H LEU A 6 1.913 -9.008 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 6 0.577 -7.182 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.547 -7.713 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.654 -6.746 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.119 -9.597 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.954 -10.276 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.569 -9.604 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.023 -8.612 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.469 -9.481 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.582 -7.815 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.492 -8.189 -7.398 1.00 0.00 H new ATOM 36 N TYR A 7 2.647 -5.742 -5.060 1.00 0.00 N ATOM 37 CA TYR A 7 3.213 -4.431 -4.766 1.00 0.00 C ATOM 38 C TYR A 7 4.034 -3.837 -5.916 1.00 0.00 C ATOM 39 O TYR A 7 4.290 -2.631 -5.918 1.00 0.00 O ATOM 40 CB TYR A 7 4.039 -4.476 -3.473 1.00 0.00 C ATOM 41 CG TYR A 7 4.153 -3.132 -2.769 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.987 -2.408 -2.453 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.392 -2.674 -2.286 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.067 -1.191 -1.761 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.461 -1.478 -1.554 1.00 0.00 C ATOM 46 CZ TYR A 7 4.321 -0.672 -1.418 1.00 0.00 C ATOM 47 OH TYR A 7 4.419 0.561 -0.854 1.00 0.00 O ATOM 0 H TYR A 7 3.037 -6.518 -4.525 1.00 0.00 H new ATOM 0 HA TYR A 7 2.364 -3.761 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.588 -5.196 -2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.040 -4.840 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.022 -2.794 -2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.290 -3.242 -2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.167 -0.657 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.392 -1.178 -1.096 1.00 0.00 H new ATOM 0 HH TYR A 7 5.361 0.767 -0.679 1.00 0.00 H new ATOM 48 N LYS A 8 4.446 -4.625 -6.914 1.00 0.00 N ATOM 49 CA LYS A 8 5.230 -4.056 -8.008 1.00 0.00 C ATOM 50 C LYS A 8 4.420 -2.977 -8.745 1.00 0.00 C ATOM 51 O LYS A 8 4.991 -2.036 -9.292 1.00 0.00 O ATOM 52 CB LYS A 8 5.745 -5.165 -8.923 1.00 0.00 C ATOM 53 CG LYS A 8 6.581 -6.214 -8.165 1.00 0.00 C ATOM 54 CD LYS A 8 7.822 -5.687 -7.412 1.00 0.00 C ATOM 55 CE LYS A 8 7.570 -5.325 -5.934 1.00 0.00 C ATOM 56 NZ LYS A 8 8.831 -5.110 -5.198 1.00 0.00 N ATOM 0 H LYS A 8 4.257 -5.625 -6.986 1.00 0.00 H new ATOM 0 HA LYS A 8 6.111 -3.554 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.899 -5.657 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.351 -4.726 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.932 -6.714 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.909 -6.970 -8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.607 -6.442 -7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.197 -4.804 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.960 -4.423 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.002 -6.123 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.619 -4.869 -4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.403 -5.978 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.361 -4.331 -5.638 1.00 0.00 H new ATOM 57 N SER A 9 3.088 -3.058 -8.690 1.00 0.00 N ATOM 58 CA SER A 9 2.182 -2.092 -9.292 1.00 0.00 C ATOM 59 C SER A 9 2.167 -0.750 -8.531 1.00 0.00 C ATOM 60 O SER A 9 1.510 0.193 -8.963 1.00 0.00 O ATOM 61 CB SER A 9 0.770 -2.705 -9.276 1.00 0.00 C ATOM 62 OG SER A 9 0.820 -4.123 -9.301 1.00 0.00 O ATOM 0 H SER A 9 2.604 -3.818 -8.212 1.00 0.00 H new ATOM 0 HA SER A 9 2.518 -1.879 -10.307 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.238 -2.374 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.205 -2.344 -10.136 1.00 0.00 H new ATOM 0 HG SER A 9 0.818 -4.467 -8.383 1.00 0.00 H new ATOM 63 N CYS A 10 2.858 -0.675 -7.390 1.00 0.00 N ATOM 64 CA CYS A 10 2.925 0.438 -6.453 1.00 0.00 C ATOM 65 C CYS A 10 4.316 1.054 -6.448 1.00 0.00 C ATOM 66 O CYS A 10 4.474 2.270 -6.311 1.00 0.00 O ATOM 67 CB CYS A 10 2.588 -0.131 -5.072 1.00 0.00 C ATOM 68 SG CYS A 10 1.250 -1.362 -5.083 1.00 0.00 S ATOM 0 H CYS A 10 3.431 -1.459 -7.077 1.00 0.00 H new ATOM 0 HA CYS A 10 2.226 1.226 -6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.484 -0.587 -4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.307 0.689 -4.411 1.00 0.00 H new ATOM 69 N ILE A 11 5.322 0.187 -6.600 1.00 0.00 N ATOM 70 CA ILE A 11 6.740 0.515 -6.689 1.00 0.00 C ATOM 71 C ILE A 11 6.961 1.714 -7.625 1.00 0.00 C ATOM 72 O ILE A 11 7.897 2.479 -7.415 1.00 0.00 O ATOM 73 CB ILE A 11 7.482 -0.773 -7.116 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.204 -1.457 -5.942 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.529 -0.538 -8.212 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.412 -1.633 -4.638 1.00 0.00 C ATOM 0 H ILE A 11 5.155 -0.817 -6.667 1.00 0.00 H new ATOM 0 HA ILE A 11 7.146 0.838 -5.730 1.00 0.00 H new ATOM 0 HB ILE A 11 6.688 -1.413 -7.500 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.531 -2.442 -6.274 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.102 -0.882 -5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.011 -1.483 -8.463 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.043 -0.132 -9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.279 0.168 -7.854 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.038 -2.128 -3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.107 -0.656 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.527 -2.240 -4.829 1.00 0.00 H new ATOM 77 N GLY A 12 6.112 1.902 -8.642 1.00 0.00 N ATOM 78 CA GLY A 12 6.199 3.044 -9.543 1.00 0.00 C ATOM 79 C GLY A 12 6.284 4.368 -8.769 1.00 0.00 C ATOM 80 O GLY A 12 7.059 5.246 -9.141 1.00 0.00 O ATOM 0 H GLY A 12 5.347 1.263 -8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.076 2.938 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.327 3.059 -10.197 1.00 0.00 H new ATOM 81 N CYS A 13 5.490 4.516 -7.698 1.00 0.00 N ATOM 82 CA CYS A 13 5.492 5.710 -6.854 1.00 0.00 C ATOM 83 C CYS A 13 6.363 5.475 -5.622 1.00 0.00 C ATOM 84 O CYS A 13 7.210 6.298 -5.288 1.00 0.00 O ATOM 85 CB CYS A 13 4.083 6.067 -6.357 1.00 0.00 C ATOM 86 SG CYS A 13 2.992 6.981 -7.475 1.00 0.00 S ATOM 0 H CYS A 13 4.826 3.803 -7.395 1.00 0.00 H new ATOM 0 HA CYS A 13 5.877 6.526 -7.466 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.580 5.139 -6.085 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.190 6.652 -5.443 1.00 0.00 H new ATOM 87 N HIS A 14 6.130 4.357 -4.932 1.00 0.00 N ATOM 88 CA HIS A 14 6.757 3.961 -3.706 1.00 0.00 C ATOM 89 C HIS A 14 8.252 3.634 -3.812 1.00 0.00 C ATOM 90 O HIS A 14 8.959 3.663 -2.806 1.00 0.00 O ATOM 91 CB HIS A 14 5.899 2.770 -3.283 1.00 0.00 C ATOM 92 CG HIS A 14 4.591 3.188 -2.667 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.522 3.716 -1.389 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.301 3.222 -3.139 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.262 4.139 -1.203 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.445 3.771 -2.189 1.00 0.00 N ATOM 0 H HIS A 14 5.448 3.669 -5.252 1.00 0.00 H new ATOM 0 HA HIS A 14 6.785 4.769 -2.975 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.703 2.142 -4.152 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.455 2.162 -2.569 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.286 3.773 -0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.994 2.871 -4.113 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.945 4.715 -0.347 1.00 0.00 H new ATOM 97 N GLY A 15 8.763 3.356 -5.009 1.00 0.00 N ATOM 98 CA GLY A 15 10.160 3.010 -5.206 1.00 0.00 C ATOM 99 C GLY A 15 10.380 1.524 -4.945 1.00 0.00 C ATOM 100 O GLY A 15 9.611 0.904 -4.213 1.00 0.00 O ATOM 0 H GLY A 15 8.215 3.366 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.462 3.256 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.786 3.600 -4.536 1.00 0.00 H new ATOM 101 N ALA A 16 11.441 0.973 -5.551 1.00 0.00 N ATOM 102 CA ALA A 16 11.866 -0.426 -5.499 1.00 0.00 C ATOM 103 C ALA A 16 11.485 -1.139 -4.198 1.00 0.00 C ATOM 104 O ALA A 16 10.790 -2.152 -4.229 1.00 0.00 O ATOM 105 CB ALA A 16 13.383 -0.485 -5.710 1.00 0.00 C ATOM 0 H ALA A 16 12.066 1.535 -6.129 1.00 0.00 H new ATOM 0 HA ALA A 16 11.338 -0.956 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.715 -1.522 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.632 -0.058 -6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.882 0.083 -4.925 1.00 0.00 H new ATOM 106 N ASP A 17 11.956 -0.615 -3.064 1.00 0.00 N ATOM 107 CA ASP A 17 11.739 -1.123 -1.735 1.00 0.00 C ATOM 108 C ASP A 17 10.861 -0.182 -0.910 1.00 0.00 C ATOM 109 O ASP A 17 11.150 0.042 0.255 1.00 0.00 O ATOM 110 CB ASP A 17 13.100 -1.366 -1.060 1.00 0.00 C ATOM 111 CG ASP A 17 13.881 -0.075 -0.818 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.976 0.722 -1.780 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.370 0.102 0.319 1.00 0.00 O ATOM 0 H ASP A 17 12.533 0.226 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 17 11.201 -2.069 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.943 -1.874 -0.108 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.695 -2.034 -1.683 1.00 0.00 H new ATOM 114 N GLY A 18 9.805 0.393 -1.493 1.00 0.00 N ATOM 115 CA GLY A 18 8.878 1.283 -0.794 1.00 0.00 C ATOM 116 C GLY A 18 9.555 2.401 0.003 1.00 0.00 C ATOM 117 O GLY A 18 9.034 2.840 1.033 1.00 0.00 O ATOM 0 H GLY A 18 9.569 0.251 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.203 1.731 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.265 0.689 -0.116 1.00 0.00 H new ATOM 118 N SER A 19 10.708 2.859 -0.483 1.00 0.00 N ATOM 119 CA SER A 19 11.552 3.866 0.124 1.00 0.00 C ATOM 120 C SER A 19 11.167 5.285 -0.286 1.00 0.00 C ATOM 121 O SER A 19 11.363 6.217 0.493 1.00 0.00 O ATOM 122 CB SER A 19 12.981 3.544 -0.317 1.00 0.00 C ATOM 123 OG SER A 19 12.975 3.193 -1.694 1.00 0.00 O ATOM 0 H SER A 19 11.093 2.512 -1.362 1.00 0.00 H new ATOM 0 HA SER A 19 11.442 3.840 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.629 4.405 -0.151 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.382 2.724 0.278 1.00 0.00 H new ATOM 0 HG SER A 19 13.213 2.247 -1.792 1.00 0.00 H new ATOM 124 N LYS A 20 10.656 5.477 -1.504 1.00 0.00 N ATOM 125 CA LYS A 20 10.286 6.800 -1.963 1.00 0.00 C ATOM 126 C LYS A 20 9.009 7.237 -1.260 1.00 0.00 C ATOM 127 O LYS A 20 8.061 6.464 -1.108 1.00 0.00 O ATOM 128 CB LYS A 20 10.078 6.830 -3.481 1.00 0.00 C ATOM 129 CG LYS A 20 11.375 6.575 -4.257 1.00 0.00 C ATOM 130 CD LYS A 20 11.115 6.485 -5.770 1.00 0.00 C ATOM 131 CE LYS A 20 10.462 7.735 -6.376 1.00 0.00 C ATOM 132 NZ LYS A 20 11.235 8.958 -6.095 1.00 0.00 N ATOM 0 H LYS A 20 10.493 4.732 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 20 11.099 7.486 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.339 6.078 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.670 7.799 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.085 7.377 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.833 5.649 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.061 6.301 -6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.475 5.624 -5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.367 7.607 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.453 7.845 -5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.785 9.769 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.261 9.124 -5.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.205 8.845 -6.452 1.00 0.00 H new ATOM 133 N ALA A 21 8.989 8.504 -0.849 1.00 0.00 N ATOM 134 CA ALA A 21 7.847 9.114 -0.196 1.00 0.00 C ATOM 135 C ALA A 21 6.822 9.403 -1.299 1.00 0.00 C ATOM 136 O ALA A 21 6.649 10.533 -1.745 1.00 0.00 O ATOM 137 CB ALA A 21 8.328 10.343 0.580 1.00 0.00 C ATOM 0 H ALA A 21 9.779 9.138 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 21 7.363 8.477 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.480 10.814 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.063 10.038 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.784 11.053 -0.110 1.00 0.00 H new ATOM 138 N ALA A 22 6.168 8.325 -1.730 1.00 0.00 N ATOM 139 CA ALA A 22 5.224 8.158 -2.821 1.00 0.00 C ATOM 140 C ALA A 22 4.468 9.371 -3.368 1.00 0.00 C ATOM 141 O ALA A 22 3.247 9.415 -3.280 1.00 0.00 O ATOM 142 CB ALA A 22 4.283 7.011 -2.460 1.00 0.00 C ATOM 0 H ALA A 22 6.312 7.434 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 22 5.854 7.944 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.562 6.865 -3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.860 6.097 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.753 7.251 -1.538 1.00 0.00 H new ATOM 143 N MET A 23 5.170 10.284 -4.048 1.00 0.00 N ATOM 144 CA MET A 23 4.644 11.497 -4.674 1.00 0.00 C ATOM 145 C MET A 23 4.085 12.433 -3.605 1.00 0.00 C ATOM 146 O MET A 23 4.669 13.478 -3.334 1.00 0.00 O ATOM 147 CB MET A 23 3.604 11.175 -5.764 1.00 0.00 C ATOM 148 CG MET A 23 4.174 10.270 -6.862 1.00 0.00 C ATOM 149 SD MET A 23 5.571 10.949 -7.793 1.00 0.00 S ATOM 150 CE MET A 23 5.816 9.623 -8.994 1.00 0.00 C ATOM 0 H MET A 23 6.177 10.189 -4.182 1.00 0.00 H new ATOM 0 HA MET A 23 5.463 12.008 -5.180 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.741 10.690 -5.308 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.249 12.104 -6.210 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.487 9.330 -6.407 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.374 10.033 -7.564 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.646 9.878 -9.653 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.041 8.694 -8.470 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.909 9.495 -9.585 1.00 0.00 H new ATOM 151 N GLY A 24 2.996 12.050 -2.937 1.00 0.00 N ATOM 152 CA GLY A 24 2.391 12.831 -1.870 1.00 0.00 C ATOM 153 C GLY A 24 3.151 12.681 -0.555 1.00 0.00 C ATOM 154 O GLY A 24 2.555 12.667 0.517 1.00 0.00 O ATOM 0 H GLY A 24 2.507 11.176 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.367 13.882 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.357 12.515 -1.730 1.00 0.00 H new ATOM 155 N SER A 25 4.478 12.577 -0.642 1.00 0.00 N ATOM 156 CA SER A 25 5.396 12.462 0.469 1.00 0.00 C ATOM 157 C SER A 25 5.000 11.334 1.420 1.00 0.00 C ATOM 158 O SER A 25 4.963 11.569 2.627 1.00 0.00 O ATOM 159 CB SER A 25 5.465 13.811 1.197 1.00 0.00 C ATOM 160 OG SER A 25 5.823 14.829 0.281 1.00 0.00 O ATOM 0 H SER A 25 4.957 12.571 -1.542 1.00 0.00 H new ATOM 0 HA SER A 25 6.384 12.206 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.501 14.040 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.195 13.762 2.005 1.00 0.00 H new ATOM 0 HG SER A 25 5.865 15.690 0.748 1.00 0.00 H new ATOM 161 N ALA A 26 4.732 10.109 0.930 1.00 0.00 N ATOM 162 CA ALA A 26 4.361 9.076 1.880 1.00 0.00 C ATOM 163 C ALA A 26 5.413 8.808 2.951 1.00 0.00 C ATOM 164 O ALA A 26 6.602 8.730 2.654 1.00 0.00 O ATOM 165 CB ALA A 26 4.102 7.763 1.142 1.00 0.00 C ATOM 0 H ALA A 26 4.764 9.833 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 26 3.467 9.448 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.824 6.991 1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.292 7.902 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.005 7.458 0.613 1.00 0.00 H new ATOM 166 N LYS A 27 4.979 8.656 4.204 1.00 0.00 N ATOM 167 CA LYS A 27 5.886 8.271 5.273 1.00 0.00 C ATOM 168 C LYS A 27 6.435 6.909 4.808 1.00 0.00 C ATOM 169 O LYS A 27 5.616 6.022 4.551 1.00 0.00 O ATOM 170 CB LYS A 27 5.150 8.225 6.626 1.00 0.00 C ATOM 171 CG LYS A 27 3.902 7.327 6.658 1.00 0.00 C ATOM 172 CD LYS A 27 3.109 7.509 7.960 1.00 0.00 C ATOM 173 CE LYS A 27 1.707 6.898 7.831 1.00 0.00 C ATOM 174 NZ LYS A 27 1.749 5.463 7.504 1.00 0.00 N ATOM 0 H LYS A 27 4.012 8.794 4.496 1.00 0.00 H new ATOM 0 HA LYS A 27 6.697 8.978 5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.847 7.880 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.856 9.239 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.263 7.560 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.201 6.284 6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.642 7.037 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.028 8.570 8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.164 7.039 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.152 7.428 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.234 5.294 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.738 5.161 7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.305 4.919 8.271 1.00 0.00 H new ATOM 175 N PRO A 28 7.762 6.760 4.617 1.00 0.00 N ATOM 176 CA PRO A 28 8.414 5.562 4.102 1.00 0.00 C ATOM 177 C PRO A 28 7.639 4.272 4.353 1.00 0.00 C ATOM 178 O PRO A 28 7.586 3.790 5.483 1.00 0.00 O ATOM 179 CB PRO A 28 9.798 5.560 4.747 1.00 0.00 C ATOM 180 CG PRO A 28 10.133 7.051 4.725 1.00 0.00 C ATOM 181 CD PRO A 28 8.785 7.719 5.013 1.00 0.00 C ATOM 0 HA PRO A 28 8.470 5.591 3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.780 5.156 5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.516 4.968 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.878 7.307 5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.536 7.359 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.694 7.971 6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.684 8.649 4.453 1.00 0.00 H new ATOM 182 N VAL A 29 7.015 3.721 3.301 1.00 0.00 N ATOM 183 CA VAL A 29 6.255 2.488 3.438 1.00 0.00 C ATOM 184 C VAL A 29 7.226 1.386 3.899 1.00 0.00 C ATOM 185 O VAL A 29 6.822 0.460 4.599 1.00 0.00 O ATOM 186 CB VAL A 29 5.513 2.127 2.140 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.671 0.868 2.367 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.510 3.224 1.769 1.00 0.00 C ATOM 0 H VAL A 29 7.026 4.111 2.359 1.00 0.00 H new ATOM 0 HA VAL A 29 5.470 2.609 4.185 1.00 0.00 H new ATOM 0 HB VAL A 29 6.263 1.993 1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.145 0.612 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.322 0.042 2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.947 1.053 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.995 2.950 0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.782 3.338 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.039 4.166 1.623 1.00 0.00 H new ATOM 189 N LYS A 30 8.507 1.484 3.509 1.00 0.00 N ATOM 190 CA LYS A 30 9.570 0.564 3.897 1.00 0.00 C ATOM 191 C LYS A 30 9.723 0.523 5.421 1.00 0.00 C ATOM 192 O LYS A 30 10.506 1.249 6.031 1.00 0.00 O ATOM 193 CB LYS A 30 10.893 1.001 3.271 1.00 0.00 C ATOM 194 CG LYS A 30 11.960 -0.098 3.123 1.00 0.00 C ATOM 195 CD LYS A 30 12.349 -0.834 4.412 1.00 0.00 C ATOM 196 CE LYS A 30 13.604 -1.692 4.197 1.00 0.00 C ATOM 197 NZ LYS A 30 13.488 -2.601 3.039 1.00 0.00 N ATOM 0 H LYS A 30 8.834 2.231 2.896 1.00 0.00 H new ATOM 0 HA LYS A 30 9.305 -0.431 3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.687 1.416 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.310 1.807 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.599 -0.833 2.403 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.858 0.350 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.530 -0.111 5.208 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.523 -1.466 4.738 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.465 -1.038 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.795 -2.279 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.319 -3.225 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.627 -3.176 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.436 -2.043 2.163 1.00 0.00 H new ATOM 198 N GLY A 31 8.958 -0.366 6.026 1.00 0.00 N ATOM 199 CA GLY A 31 8.969 -0.611 7.458 1.00 0.00 C ATOM 200 C GLY A 31 7.624 -0.360 8.122 1.00 0.00 C ATOM 201 O GLY A 31 7.518 -0.550 9.332 1.00 0.00 O ATOM 0 H GLY A 31 8.294 -0.954 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.270 -1.643 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.721 0.027 7.923 1.00 0.00 H new ATOM 202 N GLN A 32 6.603 0.095 7.382 1.00 0.00 N ATOM 203 CA GLN A 32 5.301 0.272 7.989 1.00 0.00 C ATOM 204 C GLN A 32 4.848 -1.132 8.450 1.00 0.00 C ATOM 205 O GLN A 32 5.198 -2.129 7.822 1.00 0.00 O ATOM 206 CB GLN A 32 4.327 0.967 7.027 1.00 0.00 C ATOM 207 CG GLN A 32 4.508 2.497 6.842 1.00 0.00 C ATOM 208 CD GLN A 32 3.385 3.092 5.968 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.265 2.608 6.061 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.607 4.116 5.122 1.00 0.00 N ATOM 0 H GLN A 32 6.660 0.337 6.393 1.00 0.00 H new ATOM 0 HA GLN A 32 5.333 0.938 8.851 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.416 0.493 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.312 0.784 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.511 2.986 7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.475 2.698 6.382 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.540 4.520 5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.842 4.488 4.559 1.00 0.00 H new ATOM 211 N GLY A 33 4.106 -1.244 9.553 1.00 0.00 N ATOM 212 CA GLY A 33 3.732 -2.554 10.100 1.00 0.00 C ATOM 213 C GLY A 33 2.591 -3.238 9.347 1.00 0.00 C ATOM 214 O GLY A 33 1.656 -2.564 8.951 1.00 0.00 O ATOM 0 H GLY A 33 3.752 -0.449 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.606 -3.206 10.085 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.443 -2.432 11.144 1.00 0.00 H new ATOM 215 N ALA A 34 2.608 -4.567 9.185 1.00 0.00 N ATOM 216 CA ALA A 34 1.578 -5.343 8.492 1.00 0.00 C ATOM 217 C ALA A 34 0.174 -4.930 8.919 1.00 0.00 C ATOM 218 O ALA A 34 -0.696 -4.706 8.082 1.00 0.00 O ATOM 219 CB ALA A 34 1.763 -6.838 8.786 1.00 0.00 C ATOM 0 H ALA A 34 3.365 -5.148 9.545 1.00 0.00 H new ATOM 0 HA ALA A 34 1.687 -5.148 7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.993 -7.409 8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.746 -7.158 8.441 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.681 -7.011 9.859 1.00 0.00 H new ATOM 220 N GLU A 35 -0.044 -4.837 10.231 1.00 0.00 N ATOM 221 CA GLU A 35 -1.337 -4.445 10.775 1.00 0.00 C ATOM 222 C GLU A 35 -1.706 -3.046 10.272 1.00 0.00 C ATOM 223 O GLU A 35 -2.841 -2.807 9.866 1.00 0.00 O ATOM 224 CB GLU A 35 -1.281 -4.500 12.308 1.00 0.00 C ATOM 225 CG GLU A 35 -2.659 -4.248 12.935 1.00 0.00 C ATOM 226 CD GLU A 35 -2.594 -4.336 14.456 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.201 -3.317 15.064 1.00 0.00 O ATOM 228 OE2 GLU A 35 -2.923 -5.422 14.978 1.00 0.00 O ATOM 0 H GLU A 35 0.666 -5.030 10.938 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.111 -5.134 10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.910 -5.475 12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.573 -3.756 12.673 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.022 -3.264 12.640 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.374 -4.978 12.556 1.00 0.00 H new ATOM 229 N GLU A 36 -0.730 -2.135 10.296 1.00 0.00 N ATOM 230 CA GLU A 36 -0.876 -0.763 9.847 1.00 0.00 C ATOM 231 C GLU A 36 -1.272 -0.789 8.373 1.00 0.00 C ATOM 232 O GLU A 36 -2.365 -0.378 8.003 1.00 0.00 O ATOM 233 CB GLU A 36 0.469 -0.036 10.064 1.00 0.00 C ATOM 234 CG GLU A 36 0.382 1.494 10.030 1.00 0.00 C ATOM 235 CD GLU A 36 1.769 2.138 9.924 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.768 1.411 10.142 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.806 3.349 9.614 1.00 0.00 O ATOM 0 H GLU A 36 0.207 -2.345 10.639 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.647 -0.231 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.881 -0.342 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.172 -0.364 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.229 1.805 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.117 1.850 10.931 1.00 0.00 H new ATOM 238 N LEU A 37 -0.373 -1.324 7.549 1.00 0.00 N ATOM 239 CA LEU A 37 -0.491 -1.471 6.116 1.00 0.00 C ATOM 240 C LEU A 37 -1.865 -2.035 5.755 1.00 0.00 C ATOM 241 O LEU A 37 -2.548 -1.500 4.886 1.00 0.00 O ATOM 242 CB LEU A 37 0.635 -2.409 5.655 1.00 0.00 C ATOM 243 CG LEU A 37 2.047 -1.811 5.786 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.096 -2.925 5.759 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.335 -0.875 4.619 1.00 0.00 C ATOM 0 H LEU A 37 0.514 -1.688 7.898 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.398 -0.507 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.587 -3.329 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.463 -2.681 4.614 1.00 0.00 H new ATOM 0 HG LEU A 37 2.094 -1.266 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.091 -2.490 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.920 -3.610 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.025 -3.469 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.337 -0.459 4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.269 -1.430 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.605 -0.065 4.613 1.00 0.00 H new ATOM 246 N TYR A 38 -2.284 -3.106 6.432 1.00 0.00 N ATOM 247 CA TYR A 38 -3.561 -3.733 6.160 1.00 0.00 C ATOM 248 C TYR A 38 -4.728 -2.854 6.576 1.00 0.00 C ATOM 249 O TYR A 38 -5.650 -2.685 5.790 1.00 0.00 O ATOM 250 CB TYR A 38 -3.662 -5.072 6.878 1.00 0.00 C ATOM 251 CG TYR A 38 -4.948 -5.805 6.540 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.172 -6.232 5.217 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.018 -5.800 7.457 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.451 -6.656 4.816 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.296 -6.224 7.054 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.516 -6.642 5.732 1.00 0.00 C ATOM 257 OH TYR A 38 -8.762 -7.032 5.338 1.00 0.00 O ATOM 0 H TYR A 38 -1.747 -3.553 7.175 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.615 -3.886 5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.809 -5.694 6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.609 -4.911 7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.358 -6.234 4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.856 -5.469 8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.615 -6.993 3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.111 -6.228 7.763 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.116 -7.687 5.975 1.00 0.00 H new ATOM 258 N LYS A 39 -4.729 -2.323 7.802 1.00 0.00 N ATOM 259 CA LYS A 39 -5.828 -1.482 8.255 1.00 0.00 C ATOM 260 C LYS A 39 -5.983 -0.293 7.304 1.00 0.00 C ATOM 261 O LYS A 39 -7.093 0.101 6.943 1.00 0.00 O ATOM 262 CB LYS A 39 -5.544 -1.027 9.693 1.00 0.00 C ATOM 263 CG LYS A 39 -6.711 -0.235 10.294 1.00 0.00 C ATOM 264 CD LYS A 39 -6.394 0.129 11.750 1.00 0.00 C ATOM 265 CE LYS A 39 -7.490 0.999 12.375 1.00 0.00 C ATOM 266 NZ LYS A 39 -8.783 0.296 12.443 1.00 0.00 N ATOM 0 H LYS A 39 -3.987 -2.461 8.488 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.766 -2.037 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.342 -1.899 10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.645 -0.411 9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.886 0.670 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.626 -0.826 10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.278 -0.783 12.335 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.442 0.659 11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.187 1.298 13.378 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.604 1.912 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.464 0.873 12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.143 0.138 11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.656 -0.620 12.920 1.00 0.00 H new ATOM 267 N LYS A 40 -4.851 0.258 6.874 1.00 0.00 N ATOM 268 CA LYS A 40 -4.790 1.395 5.998 1.00 0.00 C ATOM 269 C LYS A 40 -5.329 1.027 4.614 1.00 0.00 C ATOM 270 O LYS A 40 -6.213 1.710 4.094 1.00 0.00 O ATOM 271 CB LYS A 40 -3.329 1.829 5.974 1.00 0.00 C ATOM 272 CG LYS A 40 -2.847 2.422 7.311 1.00 0.00 C ATOM 273 CD LYS A 40 -3.280 3.879 7.470 1.00 0.00 C ATOM 274 CE LYS A 40 -2.674 4.548 8.707 1.00 0.00 C ATOM 275 NZ LYS A 40 -1.221 4.735 8.557 1.00 0.00 N ATOM 0 H LYS A 40 -3.932 -0.094 7.141 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.413 2.221 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.707 0.971 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.190 2.569 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.245 1.832 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.760 2.357 7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.989 4.439 6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.367 3.925 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.152 5.514 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.875 3.938 9.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.903 5.502 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.730 3.854 8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.003 4.981 7.570 1.00 0.00 H new ATOM 276 N MET A 41 -4.824 -0.054 4.010 1.00 0.00 N ATOM 277 CA MET A 41 -5.305 -0.482 2.712 1.00 0.00 C ATOM 278 C MET A 41 -6.772 -0.873 2.802 1.00 0.00 C ATOM 279 O MET A 41 -7.499 -0.631 1.854 1.00 0.00 O ATOM 280 CB MET A 41 -4.470 -1.637 2.173 1.00 0.00 C ATOM 281 CG MET A 41 -3.164 -1.109 1.578 1.00 0.00 C ATOM 282 SD MET A 41 -2.177 -2.339 0.695 1.00 0.00 S ATOM 283 CE MET A 41 -1.720 -3.388 2.084 1.00 0.00 C ATOM 0 H MET A 41 -4.087 -0.639 4.404 1.00 0.00 H new ATOM 0 HA MET A 41 -5.207 0.351 2.016 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.254 -2.344 2.974 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.032 -2.179 1.412 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.397 -0.293 0.894 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.560 -0.689 2.382 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.824 -3.955 1.832 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.524 -2.768 2.959 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.536 -4.077 2.303 1.00 0.00 H new ATOM 284 N LYS A 42 -7.232 -1.476 3.897 1.00 0.00 N ATOM 285 CA LYS A 42 -8.639 -1.816 4.051 1.00 0.00 C ATOM 286 C LYS A 42 -9.419 -0.500 3.995 1.00 0.00 C ATOM 287 O LYS A 42 -10.398 -0.371 3.260 1.00 0.00 O ATOM 288 CB LYS A 42 -8.844 -2.579 5.367 1.00 0.00 C ATOM 289 CG LYS A 42 -10.269 -3.116 5.553 1.00 0.00 C ATOM 290 CD LYS A 42 -10.662 -4.075 4.419 1.00 0.00 C ATOM 291 CE LYS A 42 -11.850 -4.963 4.801 1.00 0.00 C ATOM 292 NZ LYS A 42 -11.498 -5.921 5.866 1.00 0.00 N ATOM 0 H LYS A 42 -6.647 -1.738 4.690 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.997 -2.475 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.143 -3.413 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.602 -1.920 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.342 -3.633 6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.971 -2.283 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.912 -3.499 3.528 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.808 -4.703 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.679 -4.338 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.194 -5.507 3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.190 -6.697 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.549 -6.306 5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.507 -5.436 6.786 1.00 0.00 H new ATOM 293 N GLY A 43 -8.939 0.497 4.746 1.00 0.00 N ATOM 294 CA GLY A 43 -9.516 1.825 4.761 1.00 0.00 C ATOM 295 C GLY A 43 -9.637 2.365 3.335 1.00 0.00 C ATOM 296 O GLY A 43 -10.726 2.760 2.924 1.00 0.00 O ATOM 0 H GLY A 43 -8.132 0.394 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.499 1.797 5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.895 2.492 5.359 1.00 0.00 H new ATOM 297 N TYR A 44 -8.540 2.377 2.567 1.00 0.00 N ATOM 298 CA TYR A 44 -8.571 2.871 1.194 1.00 0.00 C ATOM 299 C TYR A 44 -9.474 2.005 0.310 1.00 0.00 C ATOM 300 O TYR A 44 -10.221 2.551 -0.500 1.00 0.00 O ATOM 301 CB TYR A 44 -7.154 2.924 0.606 1.00 0.00 C ATOM 302 CG TYR A 44 -6.253 4.018 1.147 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.643 5.370 1.056 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.952 3.702 1.579 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.770 6.384 1.485 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.062 4.725 1.945 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.483 6.062 1.937 1.00 0.00 C ATOM 308 OH TYR A 44 -3.676 7.034 2.442 1.00 0.00 O ATOM 0 H TYR A 44 -7.625 2.050 2.877 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.983 3.880 1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.672 1.962 0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.234 3.047 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.613 5.626 0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.637 2.670 1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.092 7.415 1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.050 4.481 2.233 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.014 6.631 3.042 1.00 0.00 H new ATOM 309 N ALA A 45 -9.413 0.677 0.457 1.00 0.00 N ATOM 310 CA ALA A 45 -10.194 -0.299 -0.296 1.00 0.00 C ATOM 311 C ALA A 45 -11.668 0.092 -0.210 1.00 0.00 C ATOM 312 O ALA A 45 -12.358 0.207 -1.220 1.00 0.00 O ATOM 313 CB ALA A 45 -10.015 -1.711 0.276 1.00 0.00 C ATOM 0 H ALA A 45 -8.789 0.238 1.135 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.851 -0.304 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.609 -2.417 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.963 -1.993 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.346 -1.727 1.314 1.00 0.00 H new ATOM 314 N ASP A 46 -12.120 0.334 1.026 1.00 0.00 N ATOM 315 CA ASP A 46 -13.491 0.704 1.345 1.00 0.00 C ATOM 316 C ASP A 46 -13.724 2.218 1.243 1.00 0.00 C ATOM 317 O ASP A 46 -14.785 2.690 1.645 1.00 0.00 O ATOM 318 CB ASP A 46 -13.812 0.221 2.771 1.00 0.00 C ATOM 319 CG ASP A 46 -13.621 -1.282 2.972 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.905 -2.036 2.016 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.201 -1.655 4.089 1.00 0.00 O ATOM 0 H ASP A 46 -11.521 0.274 1.849 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.151 0.230 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.177 0.756 3.477 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.843 0.482 3.009 1.00 0.00 H new ATOM 322 N GLY A 47 -12.756 2.996 0.740 1.00 0.00 N ATOM 323 CA GLY A 47 -12.858 4.446 0.611 1.00 0.00 C ATOM 324 C GLY A 47 -13.255 5.131 1.925 1.00 0.00 C ATOM 325 O GLY A 47 -13.945 6.147 1.909 1.00 0.00 O ATOM 0 H GLY A 47 -11.867 2.623 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.902 4.845 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.593 4.688 -0.156 1.00 0.00 H new ATOM 326 N SER A 48 -12.793 4.589 3.056 1.00 0.00 N ATOM 327 CA SER A 48 -13.078 5.063 4.402 1.00 0.00 C ATOM 328 C SER A 48 -11.797 5.501 5.119 1.00 0.00 C ATOM 329 O SER A 48 -11.675 5.315 6.330 1.00 0.00 O ATOM 330 CB SER A 48 -13.766 3.914 5.147 1.00 0.00 C ATOM 331 OG SER A 48 -14.217 4.343 6.415 1.00 0.00 O ATOM 0 H SER A 48 -12.183 3.771 3.051 1.00 0.00 H new ATOM 0 HA SER A 48 -13.725 5.939 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.608 3.546 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.072 3.082 5.264 1.00 0.00 H new ATOM 0 HG SER A 48 -13.488 4.800 6.884 1.00 0.00 H new ATOM 332 N TYR A 49 -10.842 6.072 4.383 1.00 0.00 N ATOM 333 CA TYR A 49 -9.564 6.553 4.883 1.00 0.00 C ATOM 334 C TYR A 49 -8.989 7.466 3.803 1.00 0.00 C ATOM 335 O TYR A 49 -9.448 7.410 2.662 1.00 0.00 O ATOM 336 CB TYR A 49 -8.659 5.353 5.188 1.00 0.00 C ATOM 337 CG TYR A 49 -7.230 5.676 5.573 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.945 6.567 6.626 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.174 5.108 4.841 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.623 7.002 6.839 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.855 5.507 5.093 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.585 6.525 6.021 1.00 0.00 C ATOM 343 OH TYR A 49 -3.301 6.938 6.234 1.00 0.00 O ATOM 0 H TYR A 49 -10.948 6.216 3.379 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.660 7.115 5.812 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.111 4.780 5.997 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.640 4.706 4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.739 6.916 7.269 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.379 4.365 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.407 7.703 7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.040 5.028 4.570 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.758 6.741 5.442 1.00 0.00 H new ATOM 344 N GLY A 50 -8.019 8.315 4.154 1.00 0.00 N ATOM 345 CA GLY A 50 -7.418 9.247 3.219 1.00 0.00 C ATOM 346 C GLY A 50 -5.950 9.527 3.508 1.00 0.00 C ATOM 347 O GLY A 50 -5.367 8.993 4.446 1.00 0.00 O ATOM 0 H GLY A 50 -7.634 8.369 5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.513 8.849 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.972 10.185 3.245 1.00 0.00 H new ATOM 348 N GLY A 51 -5.384 10.406 2.682 1.00 0.00 N ATOM 349 CA GLY A 51 -4.041 10.878 2.630 1.00 0.00 C ATOM 350 C GLY A 51 -3.891 11.730 1.375 1.00 0.00 C ATOM 351 O GLY A 51 -4.834 11.858 0.588 1.00 0.00 O ATOM 0 H GLY A 51 -5.944 10.845 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.808 11.464 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.343 10.041 2.608 1.00 0.00 H new ATOM 352 N GLU A 52 -2.704 12.304 1.210 1.00 0.00 N ATOM 353 CA GLU A 52 -2.305 13.161 0.102 1.00 0.00 C ATOM 354 C GLU A 52 -2.721 12.602 -1.261 1.00 0.00 C ATOM 355 O GLU A 52 -3.114 13.383 -2.127 1.00 0.00 O ATOM 356 CB GLU A 52 -0.783 13.366 0.142 1.00 0.00 C ATOM 357 CG GLU A 52 -0.378 14.506 1.086 1.00 0.00 C ATOM 358 CD GLU A 52 -0.788 15.875 0.542 1.00 0.00 C ATOM 359 OE1 GLU A 52 -0.471 16.140 -0.640 1.00 0.00 O ATOM 360 OE2 GLU A 52 -1.420 16.626 1.314 1.00 0.00 O ATOM 0 H GLU A 52 -1.951 12.175 1.886 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.822 14.113 0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.302 12.442 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.420 13.582 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.840 14.350 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.701 14.485 1.238 1.00 0.00 H new ATOM 361 N ARG A 53 -2.603 11.287 -1.479 1.00 0.00 N ATOM 362 CA ARG A 53 -3.001 10.676 -2.763 1.00 0.00 C ATOM 363 C ARG A 53 -4.052 9.591 -2.534 1.00 0.00 C ATOM 364 O ARG A 53 -4.054 8.567 -3.216 1.00 0.00 O ATOM 365 CB ARG A 53 -1.800 10.167 -3.603 1.00 0.00 C ATOM 366 CG ARG A 53 -0.683 11.210 -3.755 1.00 0.00 C ATOM 367 CD ARG A 53 -1.063 12.362 -4.694 1.00 0.00 C ATOM 368 NE ARG A 53 0.006 13.372 -4.740 1.00 0.00 N ATOM 369 CZ ARG A 53 0.092 14.469 -3.969 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.864 14.782 -3.088 1.00 0.00 N ATOM 371 NH2 ARG A 53 1.164 15.261 -4.081 1.00 0.00 N ATOM 0 H ARG A 53 -2.239 10.626 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.450 11.465 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.391 9.272 -3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.154 9.876 -4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.435 11.615 -2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.214 10.721 -4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.247 11.975 -5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.991 12.823 -4.355 1.00 0.00 H new ATOM 0 HE ARG A 53 0.751 13.226 -5.421 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.683 14.182 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.774 15.621 -2.515 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.902 15.029 -4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.243 16.097 -3.502 1.00 0.00 H new ATOM 372 N LYS A 54 -4.997 9.858 -1.625 1.00 0.00 N ATOM 373 CA LYS A 54 -6.078 8.947 -1.276 1.00 0.00 C ATOM 374 C LYS A 54 -6.804 8.382 -2.496 1.00 0.00 C ATOM 375 O LYS A 54 -7.103 7.195 -2.541 1.00 0.00 O ATOM 376 CB LYS A 54 -7.094 9.672 -0.388 1.00 0.00 C ATOM 377 CG LYS A 54 -7.653 10.997 -0.933 1.00 0.00 C ATOM 378 CD LYS A 54 -8.450 11.710 0.167 1.00 0.00 C ATOM 379 CE LYS A 54 -9.021 13.047 -0.320 1.00 0.00 C ATOM 380 NZ LYS A 54 -7.957 14.018 -0.637 1.00 0.00 N ATOM 0 H LYS A 54 -5.026 10.734 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.623 8.109 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.930 8.998 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.626 9.869 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.838 11.634 -1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.293 10.807 -1.795 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.264 11.067 0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.806 11.882 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.634 12.879 -1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.675 13.463 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.382 14.947 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.307 14.097 0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.431 13.696 -1.474 1.00 0.00 H new ATOM 381 N ALA A 55 -7.108 9.233 -3.478 1.00 0.00 N ATOM 382 CA ALA A 55 -7.830 8.812 -4.671 1.00 0.00 C ATOM 383 C ALA A 55 -7.034 7.761 -5.440 1.00 0.00 C ATOM 384 O ALA A 55 -7.562 6.702 -5.777 1.00 0.00 O ATOM 385 CB ALA A 55 -8.126 10.031 -5.548 1.00 0.00 C ATOM 0 H ALA A 55 -6.862 10.223 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.775 8.357 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.666 9.715 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.734 10.742 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.189 10.505 -5.840 1.00 0.00 H new ATOM 386 N MET A 56 -5.761 8.058 -5.714 1.00 0.00 N ATOM 387 CA MET A 56 -4.883 7.140 -6.423 1.00 0.00 C ATOM 388 C MET A 56 -4.787 5.851 -5.614 1.00 0.00 C ATOM 389 O MET A 56 -4.878 4.756 -6.165 1.00 0.00 O ATOM 390 CB MET A 56 -3.497 7.769 -6.618 1.00 0.00 C ATOM 391 CG MET A 56 -3.525 9.064 -7.442 1.00 0.00 C ATOM 392 SD MET A 56 -4.103 8.907 -9.155 1.00 0.00 S ATOM 393 CE MET A 56 -5.813 9.472 -8.996 1.00 0.00 C ATOM 0 H MET A 56 -5.317 8.938 -5.450 1.00 0.00 H new ATOM 0 HA MET A 56 -5.286 6.923 -7.412 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.061 7.978 -5.641 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.845 7.048 -7.111 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.163 9.783 -6.929 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.519 9.484 -7.456 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.301 9.433 -9.970 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.346 8.828 -8.297 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.825 10.497 -8.626 1.00 0.00 H new ATOM 394 N MET A 57 -4.644 5.993 -4.296 1.00 0.00 N ATOM 395 CA MET A 57 -4.548 4.869 -3.392 1.00 0.00 C ATOM 396 C MET A 57 -5.783 3.983 -3.519 1.00 0.00 C ATOM 397 O MET A 57 -5.659 2.821 -3.890 1.00 0.00 O ATOM 398 CB MET A 57 -4.307 5.390 -1.964 1.00 0.00 C ATOM 399 CG MET A 57 -2.802 5.496 -1.684 1.00 0.00 C ATOM 400 SD MET A 57 -1.891 3.958 -1.977 1.00 0.00 S ATOM 401 CE MET A 57 -2.759 2.790 -0.907 1.00 0.00 C ATOM 0 H MET A 57 -4.592 6.900 -3.833 1.00 0.00 H new ATOM 0 HA MET A 57 -3.698 4.237 -3.651 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.776 6.366 -1.841 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.772 4.720 -1.241 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.380 6.282 -2.311 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.656 5.802 -0.648 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.513 1.771 -1.205 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.455 2.949 0.127 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.834 2.944 -0.996 1.00 0.00 H new ATOM 402 N THR A 58 -6.976 4.503 -3.245 1.00 0.00 N ATOM 403 CA THR A 58 -8.212 3.751 -3.386 1.00 0.00 C ATOM 404 C THR A 58 -8.290 3.146 -4.790 1.00 0.00 C ATOM 405 O THR A 58 -8.664 1.988 -4.921 1.00 0.00 O ATOM 406 CB THR A 58 -9.402 4.671 -3.071 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.395 4.948 -1.686 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.754 4.042 -3.424 1.00 0.00 C ATOM 0 H THR A 58 -7.110 5.460 -2.918 1.00 0.00 H new ATOM 0 HA THR A 58 -8.241 2.922 -2.679 1.00 0.00 H new ATOM 0 HB THR A 58 -9.288 5.571 -3.675 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.677 4.150 -1.191 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.555 4.739 -3.179 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.783 3.816 -4.490 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.887 3.122 -2.855 1.00 0.00 H new ATOM 409 N ASN A 59 -7.923 3.878 -5.846 1.00 0.00 N ATOM 410 CA ASN A 59 -7.960 3.320 -7.196 1.00 0.00 C ATOM 411 C ASN A 59 -7.006 2.120 -7.309 1.00 0.00 C ATOM 412 O ASN A 59 -7.331 1.140 -7.979 1.00 0.00 O ATOM 413 CB ASN A 59 -7.587 4.403 -8.220 1.00 0.00 C ATOM 414 CG ASN A 59 -8.006 4.091 -9.661 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.330 5.006 -10.409 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.023 2.833 -10.094 1.00 0.00 N ATOM 0 H ASN A 59 -7.602 4.845 -5.792 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.971 2.972 -7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.047 5.344 -7.918 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.508 4.553 -8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.306 2.627 -11.052 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.753 2.074 -9.468 1.00 0.00 H new ATOM 417 N ALA A 60 -5.831 2.192 -6.680 1.00 0.00 N ATOM 418 CA ALA A 60 -4.820 1.146 -6.725 1.00 0.00 C ATOM 419 C ALA A 60 -5.204 -0.072 -5.876 1.00 0.00 C ATOM 420 O ALA A 60 -4.925 -1.213 -6.237 1.00 0.00 O ATOM 421 CB ALA A 60 -3.503 1.750 -6.218 1.00 0.00 C ATOM 0 H ALA A 60 -5.555 2.996 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.722 0.790 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.722 0.990 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.215 2.584 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.635 2.106 -5.196 1.00 0.00 H new ATOM 422 N VAL A 61 -5.852 0.186 -4.744 1.00 0.00 N ATOM 423 CA VAL A 61 -6.241 -0.777 -3.728 1.00 0.00 C ATOM 424 C VAL A 61 -7.596 -1.443 -3.967 1.00 0.00 C ATOM 425 O VAL A 61 -7.692 -2.665 -3.900 1.00 0.00 O ATOM 426 CB VAL A 61 -6.221 0.007 -2.405 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.814 -0.709 -1.203 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.786 0.367 -2.018 1.00 0.00 C ATOM 0 H VAL A 61 -6.136 1.135 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.549 -1.619 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.844 0.875 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.747 -0.065 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.859 -0.946 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.261 -1.630 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.790 0.921 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.202 -0.545 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.341 0.982 -2.801 1.00 0.00 H new ATOM 429 N LYS A 62 -8.651 -0.668 -4.216 1.00 0.00 N ATOM 430 CA LYS A 62 -10.011 -1.170 -4.389 1.00 0.00 C ATOM 431 C LYS A 62 -10.118 -2.244 -5.475 1.00 0.00 C ATOM 432 O LYS A 62 -11.025 -3.070 -5.417 1.00 0.00 O ATOM 433 CB LYS A 62 -10.948 0.014 -4.661 1.00 0.00 C ATOM 434 CG LYS A 62 -12.427 -0.385 -4.570 1.00 0.00 C ATOM 435 CD LYS A 62 -13.345 0.840 -4.463 1.00 0.00 C ATOM 436 CE LYS A 62 -13.258 1.742 -5.700 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.207 2.865 -5.607 1.00 0.00 N ATOM 0 H LYS A 62 -8.581 0.346 -4.305 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.312 -1.667 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.743 0.809 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.743 0.418 -5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.700 -0.968 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.577 -1.028 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.375 0.509 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.077 1.416 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.243 2.127 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.469 1.157 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.127 3.459 -6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.176 2.495 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.989 3.435 -4.765 1.00 0.00 H new ATOM 438 N LYS A 63 -9.227 -2.244 -6.472 1.00 0.00 N ATOM 439 CA LYS A 63 -9.270 -3.270 -7.506 1.00 0.00 C ATOM 440 C LYS A 63 -8.849 -4.640 -6.949 1.00 0.00 C ATOM 441 O LYS A 63 -9.118 -5.655 -7.588 1.00 0.00 O ATOM 442 CB LYS A 63 -8.419 -2.864 -8.718 1.00 0.00 C ATOM 443 CG LYS A 63 -6.949 -2.551 -8.412 1.00 0.00 C ATOM 444 CD LYS A 63 -6.179 -2.493 -9.740 1.00 0.00 C ATOM 445 CE LYS A 63 -4.776 -1.894 -9.593 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.979 -2.588 -8.567 1.00 0.00 N ATOM 0 H LYS A 63 -8.482 -1.556 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.301 -3.363 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.457 -3.668 -9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.871 -1.987 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.866 -1.601 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.526 -3.316 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.097 -3.499 -10.150 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.747 -1.901 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.258 -1.947 -10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.859 -0.839 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.967 -2.482 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.179 -2.175 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.227 -3.598 -8.559 1.00 0.00 H new ATOM 447 N TYR A 64 -8.162 -4.688 -5.801 1.00 0.00 N ATOM 448 CA TYR A 64 -7.741 -5.909 -5.170 1.00 0.00 C ATOM 449 C TYR A 64 -8.846 -6.384 -4.224 1.00 0.00 C ATOM 450 O TYR A 64 -9.901 -5.772 -4.080 1.00 0.00 O ATOM 451 CB TYR A 64 -6.422 -5.642 -4.427 1.00 0.00 C ATOM 452 CG TYR A 64 -5.246 -5.167 -5.261 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.971 -5.747 -6.516 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.285 -4.330 -4.665 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.736 -5.514 -7.145 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.037 -4.131 -5.279 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.746 -4.755 -6.504 1.00 0.00 C ATOM 458 OH TYR A 64 -1.514 -4.646 -7.084 1.00 0.00 O ATOM 0 H TYR A 64 -7.886 -3.851 -5.287 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.567 -6.697 -5.903 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.613 -4.897 -3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.128 -6.560 -3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.711 -6.371 -6.995 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.508 -3.838 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.548 -5.922 -8.127 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.300 -3.497 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.822 -4.855 -6.423 1.00 0.00 H new ATOM 459 N SER A 65 -8.550 -7.492 -3.561 1.00 0.00 N ATOM 460 CA SER A 65 -9.395 -8.210 -2.617 1.00 0.00 C ATOM 461 C SER A 65 -8.674 -8.328 -1.277 1.00 0.00 C ATOM 462 O SER A 65 -7.448 -8.266 -1.241 1.00 0.00 O ATOM 463 CB SER A 65 -9.684 -9.612 -3.172 1.00 0.00 C ATOM 464 OG SER A 65 -9.967 -9.557 -4.556 1.00 0.00 O ATOM 0 H SER A 65 -7.645 -7.947 -3.677 1.00 0.00 H new ATOM 0 HA SER A 65 -10.332 -7.671 -2.474 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.826 -10.261 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.529 -10.051 -2.641 1.00 0.00 H new ATOM 0 HG SER A 65 -9.130 -9.474 -5.058 1.00 0.00 H new ATOM 465 N ASP A 66 -9.419 -8.548 -0.191 1.00 0.00 N ATOM 466 CA ASP A 66 -8.895 -8.696 1.167 1.00 0.00 C ATOM 467 C ASP A 66 -7.630 -9.566 1.214 1.00 0.00 C ATOM 468 O ASP A 66 -6.641 -9.179 1.830 1.00 0.00 O ATOM 469 CB ASP A 66 -9.989 -9.270 2.086 1.00 0.00 C ATOM 470 CG ASP A 66 -10.372 -10.718 1.776 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.398 -11.063 0.573 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.618 -11.457 2.752 1.00 0.00 O ATOM 0 H ASP A 66 -10.435 -8.630 -0.235 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.606 -7.707 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.648 -9.209 3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.879 -8.646 2.007 1.00 0.00 H new ATOM 473 N GLU A 67 -7.656 -10.723 0.548 1.00 0.00 N ATOM 474 CA GLU A 67 -6.541 -11.661 0.492 1.00 0.00 C ATOM 475 C GLU A 67 -5.309 -10.975 -0.104 1.00 0.00 C ATOM 476 O GLU A 67 -4.212 -11.049 0.446 1.00 0.00 O ATOM 477 CB GLU A 67 -6.981 -12.887 -0.327 1.00 0.00 C ATOM 478 CG GLU A 67 -5.874 -13.939 -0.528 1.00 0.00 C ATOM 479 CD GLU A 67 -4.929 -13.622 -1.687 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.436 -13.283 -2.779 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.698 -13.734 -1.493 1.00 0.00 O ATOM 0 H GLU A 67 -8.472 -11.037 0.023 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.263 -11.994 1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.829 -13.358 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.331 -12.552 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.293 -14.022 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.336 -14.911 -0.703 1.00 0.00 H new ATOM 482 N GLU A 68 -5.493 -10.311 -1.244 1.00 0.00 N ATOM 483 CA GLU A 68 -4.424 -9.606 -1.928 1.00 0.00 C ATOM 484 C GLU A 68 -3.896 -8.494 -1.019 1.00 0.00 C ATOM 485 O GLU A 68 -2.688 -8.326 -0.902 1.00 0.00 O ATOM 486 CB GLU A 68 -4.958 -9.040 -3.245 1.00 0.00 C ATOM 487 CG GLU A 68 -5.415 -10.126 -4.225 1.00 0.00 C ATOM 488 CD GLU A 68 -6.075 -9.500 -5.448 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.306 -9.290 -5.376 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.333 -9.224 -6.414 1.00 0.00 O ATOM 0 H GLU A 68 -6.395 -10.250 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.602 -10.285 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.795 -8.374 -3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.181 -8.437 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.560 -10.728 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.116 -10.798 -3.731 1.00 0.00 H new ATOM 491 N LEU A 69 -4.790 -7.743 -0.371 1.00 0.00 N ATOM 492 CA LEU A 69 -4.409 -6.669 0.539 1.00 0.00 C ATOM 493 C LEU A 69 -3.581 -7.226 1.702 1.00 0.00 C ATOM 494 O LEU A 69 -2.571 -6.635 2.088 1.00 0.00 O ATOM 495 CB LEU A 69 -5.659 -5.946 1.055 1.00 0.00 C ATOM 496 CG LEU A 69 -6.475 -5.237 -0.035 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.661 -4.520 0.615 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.636 -4.234 -0.826 1.00 0.00 C ATOM 0 H LEU A 69 -5.798 -7.865 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.795 -5.949 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.300 -6.669 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.357 -5.212 1.802 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.824 -5.993 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.246 -4.014 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.289 -5.248 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.294 -3.787 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.257 -3.758 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.244 -3.474 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.808 -4.753 -1.308 1.00 0.00 H new ATOM 499 N LYS A 70 -3.991 -8.362 2.273 1.00 0.00 N ATOM 500 CA LYS A 70 -3.298 -9.009 3.347 1.00 0.00 C ATOM 501 C LYS A 70 -1.920 -9.451 2.862 1.00 0.00 C ATOM 502 O LYS A 70 -0.929 -9.245 3.559 1.00 0.00 O ATOM 503 CB LYS A 70 -4.155 -10.212 3.753 1.00 0.00 C ATOM 504 CG LYS A 70 -5.011 -10.021 5.011 1.00 0.00 C ATOM 505 CD LYS A 70 -4.265 -9.668 6.310 1.00 0.00 C ATOM 506 CE LYS A 70 -3.198 -10.695 6.716 1.00 0.00 C ATOM 507 NZ LYS A 70 -1.882 -10.409 6.115 1.00 0.00 N ATOM 0 H LYS A 70 -4.835 -8.854 1.981 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.149 -8.347 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.814 -10.463 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.498 -11.068 3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.737 -9.233 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.574 -10.938 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.790 -8.694 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.990 -9.573 7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.103 -10.706 7.802 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.523 -11.691 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.611 -11.190 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.934 -9.525 5.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.171 -10.309 6.867 1.00 0.00 H new ATOM 508 N ALA A 71 -1.858 -10.062 1.675 1.00 0.00 N ATOM 509 CA ALA A 71 -0.607 -10.537 1.113 1.00 0.00 C ATOM 510 C ALA A 71 0.321 -9.349 0.906 1.00 0.00 C ATOM 511 O ALA A 71 1.499 -9.411 1.253 1.00 0.00 O ATOM 512 CB ALA A 71 -0.869 -11.274 -0.199 1.00 0.00 C ATOM 0 H ALA A 71 -2.672 -10.237 1.086 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.131 -11.240 1.796 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.076 -11.627 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.524 -12.125 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.346 -10.597 -0.908 1.00 0.00 H new ATOM 513 N LEU A 72 -0.212 -8.257 0.351 1.00 0.00 N ATOM 514 CA LEU A 72 0.553 -7.055 0.130 1.00 0.00 C ATOM 515 C LEU A 72 1.130 -6.570 1.440 1.00 0.00 C ATOM 516 O LEU A 72 2.345 -6.501 1.561 1.00 0.00 O ATOM 517 CB LEU A 72 -0.379 -5.996 -0.433 1.00 0.00 C ATOM 518 CG LEU A 72 -0.407 -6.150 -1.940 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.465 -5.220 -2.463 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.909 -5.678 -2.531 1.00 0.00 C ATOM 0 H LEU A 72 -1.184 -8.194 0.048 1.00 0.00 H new ATOM 0 HA LEU A 72 1.369 -7.252 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.381 -6.111 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.034 -4.999 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.590 -7.193 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.517 -5.301 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.430 -5.488 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.217 -4.195 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.883 -5.791 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.065 -4.629 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.725 -6.274 -2.124 1.00 0.00 H new ATOM 521 N ALA A 73 0.277 -6.252 2.419 1.00 0.00 N ATOM 522 CA ALA A 73 0.765 -5.738 3.687 1.00 0.00 C ATOM 523 C ALA A 73 1.785 -6.698 4.290 1.00 0.00 C ATOM 524 O ALA A 73 2.789 -6.246 4.827 1.00 0.00 O ATOM 525 CB ALA A 73 -0.384 -5.571 4.683 1.00 0.00 C ATOM 0 H ALA A 73 -0.737 -6.342 2.354 1.00 0.00 H new ATOM 0 HA ALA A 73 1.228 -4.770 3.495 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.005 -5.185 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.117 -4.872 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.860 -6.537 4.855 1.00 0.00 H new ATOM 526 N ASP A 74 1.524 -8.011 4.236 1.00 0.00 N ATOM 527 CA ASP A 74 2.460 -9.001 4.751 1.00 0.00 C ATOM 528 C ASP A 74 3.819 -8.773 4.089 1.00 0.00 C ATOM 529 O ASP A 74 4.817 -8.615 4.789 1.00 0.00 O ATOM 530 CB ASP A 74 1.945 -10.421 4.493 1.00 0.00 C ATOM 531 CG ASP A 74 2.974 -11.454 4.935 1.00 0.00 C ATOM 532 OD1 ASP A 74 2.960 -11.787 6.139 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.758 -11.885 4.062 1.00 0.00 O ATOM 0 H ASP A 74 0.671 -8.405 3.840 1.00 0.00 H new ATOM 0 HA ASP A 74 2.561 -8.890 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.010 -10.578 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.727 -10.547 3.432 1.00 0.00 H new ATOM 534 N TYR A 75 3.851 -8.715 2.752 1.00 0.00 N ATOM 535 CA TYR A 75 5.087 -8.462 2.029 1.00 0.00 C ATOM 536 C TYR A 75 5.667 -7.116 2.469 1.00 0.00 C ATOM 537 O TYR A 75 6.770 -7.086 3.004 1.00 0.00 O ATOM 538 CB TYR A 75 4.878 -8.483 0.510 1.00 0.00 C ATOM 539 CG TYR A 75 6.068 -7.907 -0.241 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.372 -8.337 0.078 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.898 -6.766 -1.046 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.488 -7.595 -0.345 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.020 -6.103 -1.570 1.00 0.00 C ATOM 544 CZ TYR A 75 8.311 -6.472 -1.167 1.00 0.00 C ATOM 545 OH TYR A 75 9.376 -5.731 -1.577 1.00 0.00 O ATOM 0 H TYR A 75 3.032 -8.841 2.157 1.00 0.00 H new ATOM 0 HA TYR A 75 5.789 -9.261 2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.706 -9.508 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.983 -7.914 0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.514 -9.242 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.905 -6.400 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.481 -7.889 -0.038 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.888 -5.306 -2.286 1.00 0.00 H new ATOM 0 HH TYR A 75 10.000 -5.613 -0.830 1.00 0.00 H new ATOM 546 N MET A 76 4.948 -6.009 2.248 1.00 0.00 N ATOM 547 CA MET A 76 5.416 -4.680 2.617 1.00 0.00 C ATOM 548 C MET A 76 5.945 -4.586 4.052 1.00 0.00 C ATOM 549 O MET A 76 6.885 -3.838 4.307 1.00 0.00 O ATOM 550 CB MET A 76 4.267 -3.696 2.408 1.00 0.00 C ATOM 551 CG MET A 76 3.997 -3.493 0.916 1.00 0.00 C ATOM 552 SD MET A 76 2.277 -3.672 0.402 1.00 0.00 S ATOM 553 CE MET A 76 1.550 -2.167 1.054 1.00 0.00 C ATOM 0 H MET A 76 4.028 -6.016 1.809 1.00 0.00 H new ATOM 0 HA MET A 76 6.266 -4.439 1.979 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.368 -4.069 2.898 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.510 -2.740 2.872 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.339 -2.497 0.636 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.601 -4.207 0.356 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.838 -1.765 0.333 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.034 -2.387 1.989 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.335 -1.433 1.237 1.00 0.00 H new ATOM 554 N SER A 77 5.366 -5.324 4.999 1.00 0.00 N ATOM 555 CA SER A 77 5.837 -5.295 6.382 1.00 0.00 C ATOM 556 C SER A 77 7.318 -5.692 6.441 1.00 0.00 C ATOM 557 O SER A 77 8.039 -5.234 7.325 1.00 0.00 O ATOM 558 CB SER A 77 4.963 -6.187 7.268 1.00 0.00 C ATOM 559 OG SER A 77 5.099 -5.828 8.635 1.00 0.00 O ATOM 0 H SER A 77 4.574 -5.946 4.834 1.00 0.00 H new ATOM 0 HA SER A 77 5.752 -4.280 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.920 -6.097 6.966 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.245 -7.231 7.132 1.00 0.00 H new ATOM 0 HG SER A 77 6.012 -5.512 8.801 1.00 0.00 H new ATOM 560 N LYS A 78 7.757 -6.553 5.517 1.00 0.00 N ATOM 561 CA LYS A 78 9.124 -7.001 5.337 1.00 0.00 C ATOM 562 C LYS A 78 9.581 -6.549 3.940 1.00 0.00 C ATOM 563 O LYS A 78 10.191 -7.327 3.209 1.00 0.00 O ATOM 564 CB LYS A 78 9.148 -8.521 5.547 1.00 0.00 C ATOM 565 CG LYS A 78 8.281 -9.333 4.572 1.00 0.00 C ATOM 566 CD LYS A 78 8.365 -10.829 4.894 1.00 0.00 C ATOM 567 CE LYS A 78 7.368 -11.633 4.051 1.00 0.00 C ATOM 568 NZ LYS A 78 7.661 -11.537 2.610 1.00 0.00 N ATOM 0 H LYS A 78 7.122 -6.975 4.839 1.00 0.00 H new ATOM 0 HA LYS A 78 9.823 -6.571 6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.179 -8.866 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.820 -8.736 6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.245 -9.000 4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.612 -9.156 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.377 -11.188 4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.162 -10.988 5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.394 -12.679 4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.358 -11.271 4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.017 -12.161 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.528 -10.555 2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.644 -11.827 2.436 1.00 0.00 H new ATOM 569 N LEU A 79 9.232 -5.299 3.598 1.00 0.00 N ATOM 570 CA LEU A 79 9.488 -4.614 2.335 1.00 0.00 C ATOM 571 C LEU A 79 10.841 -5.005 1.724 1.00 0.00 C ATOM 572 O LEU A 79 11.863 -4.776 2.410 1.00 0.00 O ATOM 573 CB LEU A 79 9.433 -3.087 2.580 1.00 0.00 C ATOM 574 CG LEU A 79 8.841 -2.192 1.469 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.870 -2.812 0.080 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.409 -1.712 1.720 1.00 0.00 C ATOM 577 OXT LEU A 79 10.834 -5.479 0.565 1.00 0.00 O ATOM 0 H LEU A 79 8.726 -4.701 4.251 1.00 0.00 H new ATOM 0 HA LEU A 79 8.722 -4.914 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.856 -2.916 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.449 -2.744 2.778 1.00 0.00 H new ATOM 0 HG LEU A 79 9.517 -1.338 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.436 -2.116 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.901 -3.027 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.294 -3.738 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.082 -1.091 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.747 -2.573 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.377 -1.129 2.641 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.455 3.986 -2.013 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.090 5.236 1.102 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.046 0.829 -0.739 1.00 7.91 C HETATM 582 CHC HEM A 80 0.262 2.752 -5.183 1.00 6.02 C HETATM 583 CHD HEM A 80 0.994 7.164 -3.211 1.00 10.53 C HETATM 584 NA HEM A 80 0.279 3.185 -0.189 1.00 6.22 N HETATM 585 C1A HEM A 80 0.174 3.873 0.993 1.00 6.23 C HETATM 586 C2A HEM A 80 0.238 2.992 2.112 1.00 8.27 C HETATM 587 C3A HEM A 80 0.155 1.739 1.612 1.00 7.07 C HETATM 588 C4A HEM A 80 0.132 1.863 0.168 1.00 9.92 C HETATM 589 CMA HEM A 80 0.157 0.463 2.387 1.00 7.00 C HETATM 590 CAA HEM A 80 0.421 3.438 3.538 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.875 3.649 4.325 1.00 11.15 C HETATM 592 CGA HEM A 80 -1.070 5.096 4.769 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.792 5.835 4.102 1.00 18.65 O HETATM 594 O2A HEM A 80 -0.542 5.457 5.815 1.00 17.21 O HETATM 595 NB HEM A 80 0.066 2.182 -2.802 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.158 1.000 -2.118 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.501 -0.048 -3.042 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.256 0.433 -4.292 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.026 1.852 -4.143 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.934 -1.430 -2.633 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.181 -0.358 -5.583 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.411 -1.170 -6.002 1.00 6.48 C HETATM 603 NC HEM A 80 0.643 4.788 -3.828 1.00 3.58 N HETATM 604 C1C HEM A 80 0.524 4.117 -5.033 1.00 4.45 C HETATM 605 C2C HEM A 80 0.779 5.024 -6.126 1.00 5.77 C HETATM 606 C3C HEM A 80 1.135 6.222 -5.583 1.00 8.44 C HETATM 607 C4C HEM A 80 0.926 6.112 -4.143 1.00 11.13 C HETATM 608 CMC HEM A 80 0.719 4.627 -7.580 1.00 8.62 C HETATM 609 CAC HEM A 80 1.661 7.441 -6.312 1.00 3.39 C HETATM 610 CBC HEM A 80 0.547 8.296 -6.926 1.00 10.94 C HETATM 611 ND HEM A 80 0.586 5.819 -1.215 1.00 4.28 N HETATM 612 C1D HEM A 80 0.837 7.029 -1.825 1.00 5.02 C HETATM 613 C2D HEM A 80 0.963 8.076 -0.794 1.00 3.97 C HETATM 614 C3D HEM A 80 0.756 7.465 0.409 1.00 5.11 C HETATM 615 C4D HEM A 80 0.424 6.119 0.112 1.00 9.05 C HETATM 616 CMD HEM A 80 1.331 9.516 -1.029 1.00 5.28 C HETATM 617 CAD HEM A 80 0.861 7.948 1.851 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.437 8.523 2.425 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.855 9.830 1.774 1.00 6.46 C HETATM 620 O1D HEM A 80 -1.448 9.796 0.695 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.632 10.871 2.387 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.373 -0.305 1.824 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.340 0.618 3.345 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.185 0.143 2.559 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.467 -1.692 -1.684 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -0.631 -2.147 -3.396 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -2.018 -1.454 -2.523 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.419 5.486 -8.180 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 -0.007 3.824 -7.708 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.701 4.283 -7.904 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 0.858 10.141 -0.271 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 0.988 9.822 -2.017 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 2.413 9.629 -0.969 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.392 -1.751 -6.924 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.305 -1.167 -5.378 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.797 9.202 -7.478 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.495 7.998 -6.811 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.871 3.002 5.202 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.722 3.346 3.709 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 0.985 4.371 3.541 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.027 2.697 4.059 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.313 8.682 3.496 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.236 7.792 2.301 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.638 8.710 1.910 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.183 7.116 2.477 1.00 9.04 H new HETATM 0 HHA HEM A 80 -0.266 5.643 2.037 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.102 -0.177 -0.351 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.240 2.361 -6.189 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.182 8.156 -3.595 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.721 -0.349 -6.195 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.720 7.685 -6.392 1.00 3.39 H new