USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=30 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 63 LYS NZ :NH3+ 163:sc= 0.968 (180deg=0.693) USER MOD Set 1.2: A 64 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 41 MET CE :methyl -175:sc= -0.691 (180deg=-0.733) USER MOD Set 2.2: A 76 MET CE :methyl -143:sc= -0.59 (180deg=-2.65!) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -0.998 (180deg=-3.88!) USER MOD Single : A 1 ALA N :NH3+ -164:sc= 1.94 (180deg=0.825) USER MOD Single : A 7 TYR OH : rot -154:sc= 1.17 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 87:sc= 0.942 USER MOD Single : A 19 SER OG : rot -93:sc= 1.22 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0.278 (180deg=0.278) USER MOD Single : A 23 MET CE :methyl -175:sc= 0 (180deg=-0.023) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.512 (180deg=0.512) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0.944 (180deg=0.536) USER MOD Single : A 32 GLN : amide:sc= 0.0914 K(o=0.091,f=-6.5!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 0.516 (180deg=0.515) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 0.861 (180deg=0.598) USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 0.372 (180deg=0.368) USER MOD Single : A 44 TYR OH : rot 167:sc= 1.22 USER MOD Single : A 48 SER OG : rot -33:sc= 0.984 USER MOD Single : A 49 TYR OH : rot 163:sc= 0.955 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0539) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 168:sc= -3.47 (180deg=-4.07!) USER MOD Single : A 58 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 59 ASN : amide:sc= -0.338! X(o=-0.34!,f=-0.074) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc=-0.00226 (180deg=-0.119) USER MOD Single : A 65 SER OG : rot 180:sc= -0.151 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0648) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -28:sc= 0.652 USER MOD Single : A 78 LYS NZ :NH3+ -138:sc= 0.22 (180deg=0) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -1.71 (180deg=-1.71) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.388 (180deg=-0.388) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.793 (180deg=-5.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.727 -13.655 -4.181 1.00 0.00 N ATOM 2 CA ALA A 1 -1.512 -13.913 -4.969 1.00 0.00 C ATOM 3 C ALA A 1 -0.309 -13.395 -4.187 1.00 0.00 C ATOM 4 O ALA A 1 -0.499 -12.966 -3.052 1.00 0.00 O ATOM 5 CB ALA A 1 -1.620 -13.259 -6.351 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.511 -14.228 -4.554 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.556 -13.908 -3.187 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.974 -12.647 -4.245 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.389 -14.983 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.713 -13.460 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.480 -13.669 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.745 -12.182 -6.235 1.00 0.00 H new ATOM 6 N ASP A 2 0.900 -13.459 -4.752 1.00 0.00 N ATOM 7 CA ASP A 2 2.102 -12.986 -4.078 1.00 0.00 C ATOM 8 C ASP A 2 2.017 -11.481 -3.814 1.00 0.00 C ATOM 9 O ASP A 2 1.576 -10.721 -4.673 1.00 0.00 O ATOM 10 CB ASP A 2 3.336 -13.331 -4.914 1.00 0.00 C ATOM 11 CG ASP A 2 4.570 -12.633 -4.359 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.801 -12.754 -3.137 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.219 -11.930 -5.160 1.00 0.00 O ATOM 0 H ASP A 2 1.068 -13.838 -5.684 1.00 0.00 H new ATOM 0 HA ASP A 2 2.187 -13.486 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.491 -14.410 -4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.176 -13.031 -5.950 1.00 0.00 H new ATOM 14 N GLY A 3 2.453 -11.063 -2.624 1.00 0.00 N ATOM 15 CA GLY A 3 2.448 -9.672 -2.226 1.00 0.00 C ATOM 16 C GLY A 3 3.357 -8.872 -3.146 1.00 0.00 C ATOM 17 O GLY A 3 2.886 -7.983 -3.848 1.00 0.00 O ATOM 0 H GLY A 3 2.820 -11.693 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.433 -9.276 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.785 -9.578 -1.194 1.00 0.00 H new ATOM 18 N ALA A 4 4.651 -9.212 -3.176 1.00 0.00 N ATOM 19 CA ALA A 4 5.625 -8.517 -4.010 1.00 0.00 C ATOM 20 C ALA A 4 5.105 -8.356 -5.441 1.00 0.00 C ATOM 21 O ALA A 4 5.195 -7.268 -6.007 1.00 0.00 O ATOM 22 CB ALA A 4 6.962 -9.264 -4.005 1.00 0.00 C ATOM 0 H ALA A 4 5.046 -9.973 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 4 5.781 -7.522 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.678 -8.733 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.344 -9.320 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.817 -10.272 -4.394 1.00 0.00 H new ATOM 23 N ALA A 5 4.529 -9.419 -6.013 1.00 0.00 N ATOM 24 CA ALA A 5 4.008 -9.379 -7.371 1.00 0.00 C ATOM 25 C ALA A 5 2.984 -8.260 -7.550 1.00 0.00 C ATOM 26 O ALA A 5 3.034 -7.549 -8.550 1.00 0.00 O ATOM 27 CB ALA A 5 3.400 -10.732 -7.742 1.00 0.00 C ATOM 0 H ALA A 5 4.415 -10.320 -5.548 1.00 0.00 H new ATOM 0 HA ALA A 5 4.840 -9.168 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.013 -10.690 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.165 -11.505 -7.676 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.587 -10.966 -7.055 1.00 0.00 H new ATOM 28 N LEU A 6 2.051 -8.089 -6.610 1.00 0.00 N ATOM 29 CA LEU A 6 1.064 -7.046 -6.701 1.00 0.00 C ATOM 30 C LEU A 6 1.769 -5.707 -6.493 1.00 0.00 C ATOM 31 O LEU A 6 1.598 -4.769 -7.277 1.00 0.00 O ATOM 32 CB LEU A 6 0.026 -7.323 -5.613 1.00 0.00 C ATOM 33 CG LEU A 6 -0.769 -8.619 -5.838 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.468 -9.015 -4.533 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.800 -8.473 -6.959 1.00 0.00 C ATOM 0 H LEU A 6 1.971 -8.672 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 6 0.566 -7.015 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.529 -7.378 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.669 -6.484 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.068 -9.397 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.033 -9.934 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.722 -9.174 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.147 -8.219 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.338 -9.413 -7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.505 -7.682 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.292 -8.220 -7.890 1.00 0.00 H new ATOM 36 N TYR A 7 2.605 -5.656 -5.449 1.00 0.00 N ATOM 37 CA TYR A 7 3.344 -4.473 -5.048 1.00 0.00 C ATOM 38 C TYR A 7 4.173 -3.845 -6.178 1.00 0.00 C ATOM 39 O TYR A 7 4.466 -2.648 -6.129 1.00 0.00 O ATOM 40 CB TYR A 7 4.192 -4.799 -3.814 1.00 0.00 C ATOM 41 CG TYR A 7 4.565 -3.596 -2.977 1.00 0.00 C ATOM 42 CD1 TYR A 7 3.602 -2.643 -2.589 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.858 -3.519 -2.443 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.992 -1.502 -1.872 1.00 0.00 C ATOM 45 CE2 TYR A 7 6.188 -2.471 -1.576 1.00 0.00 C ATOM 46 CZ TYR A 7 5.327 -1.370 -1.459 1.00 0.00 C ATOM 47 OH TYR A 7 5.769 -0.229 -0.865 1.00 0.00 O ATOM 0 H TYR A 7 2.784 -6.462 -4.850 1.00 0.00 H new ATOM 0 HA TYR A 7 2.617 -3.703 -4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.646 -5.506 -3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.105 -5.299 -4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.563 -2.791 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.596 -4.265 -2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.271 -0.732 -1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.101 -2.510 -1.000 1.00 0.00 H new ATOM 0 HH TYR A 7 6.733 -0.134 -1.016 1.00 0.00 H new ATOM 48 N LYS A 8 4.552 -4.614 -7.206 1.00 0.00 N ATOM 49 CA LYS A 8 5.282 -4.059 -8.347 1.00 0.00 C ATOM 50 C LYS A 8 4.536 -2.843 -8.921 1.00 0.00 C ATOM 51 O LYS A 8 5.159 -1.863 -9.325 1.00 0.00 O ATOM 52 CB LYS A 8 5.439 -5.129 -9.431 1.00 0.00 C ATOM 53 CG LYS A 8 6.468 -6.188 -9.022 1.00 0.00 C ATOM 54 CD LYS A 8 6.331 -7.417 -9.923 1.00 0.00 C ATOM 55 CE LYS A 8 7.343 -8.494 -9.517 1.00 0.00 C ATOM 56 NZ LYS A 8 7.161 -9.724 -10.306 1.00 0.00 N ATOM 0 H LYS A 8 4.366 -5.615 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 8 6.267 -3.738 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.477 -5.606 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.748 -4.661 -10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.475 -5.779 -9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.318 -6.471 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.319 -7.816 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.491 -7.133 -10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.356 -8.116 -9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.231 -8.720 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.860 -10.434 -10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.202 -10.096 -10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.292 -9.511 -11.316 1.00 0.00 H new ATOM 57 N SER A 9 3.200 -2.882 -8.904 1.00 0.00 N ATOM 58 CA SER A 9 2.338 -1.821 -9.417 1.00 0.00 C ATOM 59 C SER A 9 2.383 -0.536 -8.572 1.00 0.00 C ATOM 60 O SER A 9 1.754 0.456 -8.933 1.00 0.00 O ATOM 61 CB SER A 9 0.890 -2.342 -9.446 1.00 0.00 C ATOM 62 OG SER A 9 0.834 -3.726 -9.746 1.00 0.00 O ATOM 0 H SER A 9 2.679 -3.672 -8.524 1.00 0.00 H new ATOM 0 HA SER A 9 2.700 -1.562 -10.412 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.419 -2.160 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.318 -1.786 -10.189 1.00 0.00 H new ATOM 0 HG SER A 9 0.928 -4.244 -8.919 1.00 0.00 H new ATOM 63 N CYS A 10 3.090 -0.558 -7.441 1.00 0.00 N ATOM 64 CA CYS A 10 3.194 0.498 -6.445 1.00 0.00 C ATOM 65 C CYS A 10 4.598 1.079 -6.406 1.00 0.00 C ATOM 66 O CYS A 10 4.783 2.287 -6.237 1.00 0.00 O ATOM 67 CB CYS A 10 2.863 -0.146 -5.094 1.00 0.00 C ATOM 68 SG CYS A 10 1.519 -1.367 -5.145 1.00 0.00 S ATOM 0 H CYS A 10 3.643 -1.375 -7.183 1.00 0.00 H new ATOM 0 HA CYS A 10 2.513 1.315 -6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.760 -0.629 -4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.595 0.640 -4.388 1.00 0.00 H new ATOM 69 N ILE A 11 5.586 0.196 -6.569 1.00 0.00 N ATOM 70 CA ILE A 11 7.009 0.503 -6.569 1.00 0.00 C ATOM 71 C ILE A 11 7.342 1.731 -7.427 1.00 0.00 C ATOM 72 O ILE A 11 8.304 2.431 -7.123 1.00 0.00 O ATOM 73 CB ILE A 11 7.779 -0.781 -6.960 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.519 -1.321 -5.727 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.802 -0.571 -8.085 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.592 -1.806 -4.608 1.00 0.00 C ATOM 0 H ILE A 11 5.402 -0.797 -6.711 1.00 0.00 H new ATOM 0 HA ILE A 11 7.332 0.799 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 11 7.034 -1.485 -7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.163 -2.145 -6.034 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.168 -0.539 -5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.301 -1.515 -8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.291 -0.215 -8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.541 0.166 -7.772 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.190 -2.172 -3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.965 -0.980 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.960 -2.611 -4.982 1.00 0.00 H new ATOM 77 N GLY A 12 6.572 2.018 -8.481 1.00 0.00 N ATOM 78 CA GLY A 12 6.797 3.201 -9.301 1.00 0.00 C ATOM 79 C GLY A 12 6.792 4.472 -8.439 1.00 0.00 C ATOM 80 O GLY A 12 7.665 5.328 -8.577 1.00 0.00 O ATOM 0 H GLY A 12 5.786 1.442 -8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.751 3.113 -9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.023 3.272 -10.065 1.00 0.00 H new ATOM 81 N CYS A 13 5.812 4.593 -7.535 1.00 0.00 N ATOM 82 CA CYS A 13 5.696 5.740 -6.638 1.00 0.00 C ATOM 83 C CYS A 13 6.475 5.480 -5.355 1.00 0.00 C ATOM 84 O CYS A 13 7.133 6.379 -4.839 1.00 0.00 O ATOM 85 CB CYS A 13 4.237 6.012 -6.255 1.00 0.00 C ATOM 86 SG CYS A 13 3.261 7.008 -7.408 1.00 0.00 S ATOM 0 H CYS A 13 5.079 3.896 -7.408 1.00 0.00 H new ATOM 0 HA CYS A 13 6.097 6.604 -7.168 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.735 5.053 -6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.228 6.509 -5.285 1.00 0.00 H new ATOM 87 N HIS A 14 6.383 4.257 -4.826 1.00 0.00 N ATOM 88 CA HIS A 14 7.027 3.883 -3.572 1.00 0.00 C ATOM 89 C HIS A 14 8.553 3.709 -3.692 1.00 0.00 C ATOM 90 O HIS A 14 9.238 3.601 -2.678 1.00 0.00 O ATOM 91 CB HIS A 14 6.259 2.685 -2.999 1.00 0.00 C ATOM 92 CG HIS A 14 4.925 3.141 -2.448 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.840 3.864 -1.270 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.638 3.118 -2.939 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.571 4.282 -1.142 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.762 3.775 -2.074 1.00 0.00 N ATOM 0 H HIS A 14 5.857 3.498 -5.260 1.00 0.00 H new ATOM 0 HA HIS A 14 6.965 4.698 -2.851 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.104 1.936 -3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.844 2.210 -2.211 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.603 4.046 -0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.346 2.653 -3.869 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.240 4.957 -0.367 1.00 0.00 H new ATOM 97 N GLY A 15 9.100 3.710 -4.909 1.00 0.00 N ATOM 98 CA GLY A 15 10.528 3.660 -5.185 1.00 0.00 C ATOM 99 C GLY A 15 11.274 2.420 -4.708 1.00 0.00 C ATOM 100 O GLY A 15 11.805 2.408 -3.600 1.00 0.00 O ATOM 0 H GLY A 15 8.535 3.747 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.670 3.749 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.994 4.534 -4.729 1.00 0.00 H new ATOM 101 N ALA A 16 11.351 1.401 -5.573 1.00 0.00 N ATOM 102 CA ALA A 16 12.077 0.140 -5.391 1.00 0.00 C ATOM 103 C ALA A 16 11.527 -0.761 -4.280 1.00 0.00 C ATOM 104 O ALA A 16 11.360 -1.958 -4.503 1.00 0.00 O ATOM 105 CB ALA A 16 13.567 0.420 -5.156 1.00 0.00 C ATOM 0 H ALA A 16 10.877 1.439 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 16 11.933 -0.418 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.098 -0.523 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.978 0.949 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.686 1.033 -4.263 1.00 0.00 H new ATOM 106 N ASP A 17 11.263 -0.211 -3.096 1.00 0.00 N ATOM 107 CA ASP A 17 10.751 -0.886 -1.936 1.00 0.00 C ATOM 108 C ASP A 17 9.626 -0.042 -1.315 1.00 0.00 C ATOM 109 O ASP A 17 8.447 -0.354 -1.468 1.00 0.00 O ATOM 110 CB ASP A 17 11.924 -1.255 -0.991 1.00 0.00 C ATOM 111 CG ASP A 17 12.845 -0.116 -0.531 1.00 0.00 C ATOM 112 OD1 ASP A 17 12.639 1.041 -0.965 1.00 0.00 O ATOM 113 OD2 ASP A 17 13.757 -0.419 0.265 1.00 0.00 O ATOM 0 H ASP A 17 11.416 0.783 -2.925 1.00 0.00 H new ATOM 0 HA ASP A 17 10.286 -1.839 -2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.505 -1.729 -0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.538 -2.003 -1.492 1.00 0.00 H new ATOM 114 N GLY A 18 9.975 1.043 -0.639 1.00 0.00 N ATOM 115 CA GLY A 18 9.068 1.969 0.018 1.00 0.00 C ATOM 116 C GLY A 18 9.867 3.041 0.750 1.00 0.00 C ATOM 117 O GLY A 18 9.400 3.567 1.759 1.00 0.00 O ATOM 0 H GLY A 18 10.952 1.314 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.410 2.431 -0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.432 1.432 0.722 1.00 0.00 H new ATOM 118 N SER A 19 11.084 3.312 0.269 1.00 0.00 N ATOM 119 CA SER A 19 12.005 4.290 0.811 1.00 0.00 C ATOM 120 C SER A 19 11.575 5.671 0.329 1.00 0.00 C ATOM 121 O SER A 19 11.427 6.599 1.122 1.00 0.00 O ATOM 122 CB SER A 19 13.412 3.935 0.318 1.00 0.00 C ATOM 123 OG SER A 19 13.378 3.639 -1.069 1.00 0.00 O ATOM 0 H SER A 19 11.462 2.829 -0.546 1.00 0.00 H new ATOM 0 HA SER A 19 12.005 4.291 1.901 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.092 4.766 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.795 3.078 0.872 1.00 0.00 H new ATOM 0 HG SER A 19 13.261 2.674 -1.195 1.00 0.00 H new ATOM 124 N LYS A 20 11.395 5.796 -0.988 1.00 0.00 N ATOM 125 CA LYS A 20 10.948 7.016 -1.631 1.00 0.00 C ATOM 126 C LYS A 20 9.620 7.424 -0.997 1.00 0.00 C ATOM 127 O LYS A 20 8.650 6.665 -1.035 1.00 0.00 O ATOM 128 CB LYS A 20 10.797 6.747 -3.133 1.00 0.00 C ATOM 129 CG LYS A 20 10.209 7.894 -3.966 1.00 0.00 C ATOM 130 CD LYS A 20 10.104 7.429 -5.426 1.00 0.00 C ATOM 131 CE LYS A 20 9.286 8.402 -6.282 1.00 0.00 C ATOM 132 NZ LYS A 20 9.068 7.864 -7.639 1.00 0.00 N ATOM 0 H LYS A 20 11.561 5.032 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 20 11.663 7.828 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.778 6.496 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.165 5.869 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.227 8.174 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.842 8.778 -3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.104 7.329 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.644 6.442 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.325 8.592 -5.804 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.804 9.359 -6.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.512 8.543 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.986 7.706 -8.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.552 6.963 -7.577 1.00 0.00 H new ATOM 133 N ALA A 21 9.583 8.617 -0.401 1.00 0.00 N ATOM 134 CA ALA A 21 8.379 9.143 0.214 1.00 0.00 C ATOM 135 C ALA A 21 7.414 9.476 -0.921 1.00 0.00 C ATOM 136 O ALA A 21 7.379 10.608 -1.397 1.00 0.00 O ATOM 137 CB ALA A 21 8.731 10.362 1.073 1.00 0.00 C ATOM 0 H ALA A 21 10.389 9.239 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 21 7.907 8.424 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.825 10.756 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.436 10.068 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.183 11.131 0.446 1.00 0.00 H new ATOM 138 N ALA A 22 6.674 8.459 -1.372 1.00 0.00 N ATOM 139 CA ALA A 22 5.762 8.513 -2.499 1.00 0.00 C ATOM 140 C ALA A 22 5.032 9.839 -2.644 1.00 0.00 C ATOM 141 O ALA A 22 4.409 10.284 -1.688 1.00 0.00 O ATOM 142 CB ALA A 22 4.781 7.341 -2.446 1.00 0.00 C ATOM 0 H ALA A 22 6.702 7.537 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 22 6.378 8.427 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.103 7.395 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.334 6.402 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.206 7.389 -1.521 1.00 0.00 H new ATOM 143 N MET A 23 5.133 10.411 -3.856 1.00 0.00 N ATOM 144 CA MET A 23 4.577 11.660 -4.374 1.00 0.00 C ATOM 145 C MET A 23 4.103 12.610 -3.276 1.00 0.00 C ATOM 146 O MET A 23 4.778 13.597 -2.991 1.00 0.00 O ATOM 147 CB MET A 23 3.474 11.332 -5.389 1.00 0.00 C ATOM 148 CG MET A 23 3.991 10.430 -6.520 1.00 0.00 C ATOM 149 SD MET A 23 5.432 11.002 -7.461 1.00 0.00 S ATOM 150 CE MET A 23 4.804 12.565 -8.114 1.00 0.00 C ATOM 0 H MET A 23 5.676 9.944 -4.582 1.00 0.00 H new ATOM 0 HA MET A 23 5.373 12.207 -4.879 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.646 10.838 -4.880 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.082 12.257 -5.812 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.235 9.459 -6.090 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.173 10.271 -7.223 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.541 13.000 -8.789 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.876 12.386 -8.657 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.616 13.254 -7.291 1.00 0.00 H new ATOM 151 N GLY A 24 2.963 12.330 -2.644 1.00 0.00 N ATOM 152 CA GLY A 24 2.451 13.128 -1.542 1.00 0.00 C ATOM 153 C GLY A 24 3.228 12.863 -0.246 1.00 0.00 C ATOM 154 O GLY A 24 2.634 12.676 0.810 1.00 0.00 O ATOM 0 H GLY A 24 2.369 11.537 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.516 14.186 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.396 12.902 -1.387 1.00 0.00 H new ATOM 155 N SER A 25 4.562 12.845 -0.329 1.00 0.00 N ATOM 156 CA SER A 25 5.497 12.644 0.759 1.00 0.00 C ATOM 157 C SER A 25 5.101 11.480 1.665 1.00 0.00 C ATOM 158 O SER A 25 5.047 11.668 2.882 1.00 0.00 O ATOM 159 CB SER A 25 5.606 13.953 1.551 1.00 0.00 C ATOM 160 OG SER A 25 5.974 15.008 0.683 1.00 0.00 O ATOM 0 H SER A 25 5.039 12.980 -1.221 1.00 0.00 H new ATOM 0 HA SER A 25 6.468 12.376 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.654 14.179 2.030 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.345 13.848 2.345 1.00 0.00 H new ATOM 0 HG SER A 25 6.041 15.843 1.192 1.00 0.00 H new ATOM 161 N ALA A 26 4.848 10.281 1.114 1.00 0.00 N ATOM 162 CA ALA A 26 4.475 9.180 1.981 1.00 0.00 C ATOM 163 C ALA A 26 5.515 8.904 3.055 1.00 0.00 C ATOM 164 O ALA A 26 6.708 8.861 2.776 1.00 0.00 O ATOM 165 CB ALA A 26 4.271 7.908 1.164 1.00 0.00 C ATOM 0 H ALA A 26 4.895 10.066 0.118 1.00 0.00 H new ATOM 0 HA ALA A 26 3.547 9.474 2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.991 7.090 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.479 8.068 0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.197 7.655 0.647 1.00 0.00 H new ATOM 166 N LYS A 27 5.066 8.702 4.291 1.00 0.00 N ATOM 167 CA LYS A 27 5.975 8.362 5.370 1.00 0.00 C ATOM 168 C LYS A 27 6.465 6.964 4.966 1.00 0.00 C ATOM 169 O LYS A 27 5.612 6.089 4.820 1.00 0.00 O ATOM 170 CB LYS A 27 5.252 8.414 6.728 1.00 0.00 C ATOM 171 CG LYS A 27 4.253 9.583 6.855 1.00 0.00 C ATOM 172 CD LYS A 27 4.814 10.953 6.427 1.00 0.00 C ATOM 173 CE LYS A 27 3.678 11.953 6.169 1.00 0.00 C ATOM 174 NZ LYS A 27 4.154 13.105 5.383 1.00 0.00 N ATOM 0 H LYS A 27 4.085 8.768 4.564 1.00 0.00 H new ATOM 0 HA LYS A 27 6.809 9.051 5.504 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.720 7.475 6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.994 8.494 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.374 9.360 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.920 9.649 7.891 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.474 11.339 7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.415 10.839 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.866 11.457 5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.272 12.300 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.371 13.773 5.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.924 13.580 5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.504 12.775 4.461 1.00 0.00 H new ATOM 175 N PRO A 28 7.772 6.771 4.702 1.00 0.00 N ATOM 176 CA PRO A 28 8.373 5.539 4.208 1.00 0.00 C ATOM 177 C PRO A 28 7.555 4.267 4.435 1.00 0.00 C ATOM 178 O PRO A 28 7.502 3.753 5.551 1.00 0.00 O ATOM 179 CB PRO A 28 9.749 5.486 4.866 1.00 0.00 C ATOM 180 CG PRO A 28 10.157 6.957 4.794 1.00 0.00 C ATOM 181 CD PRO A 28 8.841 7.701 5.047 1.00 0.00 C ATOM 0 HA PRO A 28 8.427 5.564 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.703 5.120 5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.440 4.838 4.327 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.909 7.203 5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.581 7.210 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.764 8.012 6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.782 8.604 4.439 1.00 0.00 H new ATOM 182 N VAL A 29 6.906 3.766 3.372 1.00 0.00 N ATOM 183 CA VAL A 29 6.132 2.532 3.443 1.00 0.00 C ATOM 184 C VAL A 29 7.096 1.433 3.927 1.00 0.00 C ATOM 185 O VAL A 29 6.697 0.544 4.678 1.00 0.00 O ATOM 186 CB VAL A 29 5.440 2.231 2.097 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.917 0.796 2.021 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.195 3.115 1.929 1.00 0.00 C ATOM 0 H VAL A 29 6.907 4.205 2.451 1.00 0.00 H new ATOM 0 HA VAL A 29 5.306 2.605 4.150 1.00 0.00 H new ATOM 0 HB VAL A 29 6.195 2.411 1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.439 0.634 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.747 0.099 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.191 0.631 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.717 2.892 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.495 2.916 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.488 4.165 1.951 1.00 0.00 H new ATOM 189 N LYS A 30 8.371 1.500 3.513 1.00 0.00 N ATOM 190 CA LYS A 30 9.423 0.606 3.968 1.00 0.00 C ATOM 191 C LYS A 30 9.650 0.852 5.445 1.00 0.00 C ATOM 192 O LYS A 30 10.401 1.734 5.858 1.00 0.00 O ATOM 193 CB LYS A 30 10.679 0.810 3.133 1.00 0.00 C ATOM 194 CG LYS A 30 11.845 -0.144 3.441 1.00 0.00 C ATOM 195 CD LYS A 30 12.819 0.367 4.511 1.00 0.00 C ATOM 196 CE LYS A 30 14.110 -0.463 4.511 1.00 0.00 C ATOM 197 NZ LYS A 30 13.851 -1.886 4.797 1.00 0.00 N ATOM 0 H LYS A 30 8.696 2.194 2.840 1.00 0.00 H new ATOM 0 HA LYS A 30 9.135 -0.437 3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.415 0.704 2.081 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.024 1.834 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.438 -1.102 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.400 -0.329 2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.055 1.415 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.348 0.316 5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.600 -0.371 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.798 -0.063 5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.753 -2.378 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.259 -1.967 5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.358 -2.318 3.990 1.00 0.00 H new ATOM 198 N GLY A 31 8.934 0.047 6.213 1.00 0.00 N ATOM 199 CA GLY A 31 8.963 0.049 7.663 1.00 0.00 C ATOM 200 C GLY A 31 7.568 0.066 8.274 1.00 0.00 C ATOM 201 O GLY A 31 7.441 -0.171 9.474 1.00 0.00 O ATOM 0 H GLY A 31 8.295 -0.649 5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.499 -0.833 8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.519 0.919 8.011 1.00 0.00 H new ATOM 202 N GLN A 32 6.519 0.366 7.497 1.00 0.00 N ATOM 203 CA GLN A 32 5.182 0.365 8.051 1.00 0.00 C ATOM 204 C GLN A 32 4.833 -1.096 8.420 1.00 0.00 C ATOM 205 O GLN A 32 5.302 -2.024 7.763 1.00 0.00 O ATOM 206 CB GLN A 32 4.201 1.024 7.070 1.00 0.00 C ATOM 207 CG GLN A 32 4.365 2.555 6.870 1.00 0.00 C ATOM 208 CD GLN A 32 3.329 3.117 5.876 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.289 2.496 5.698 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.560 4.250 5.191 1.00 0.00 N ATOM 0 H GLN A 32 6.578 0.606 6.507 1.00 0.00 H new ATOM 0 HA GLN A 32 5.113 0.963 8.960 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.306 0.538 6.100 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.186 0.829 7.416 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.259 3.060 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.370 2.768 6.507 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.426 4.768 5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.869 4.592 4.523 1.00 0.00 H new ATOM 211 N GLY A 33 4.040 -1.323 9.474 1.00 0.00 N ATOM 212 CA GLY A 33 3.723 -2.675 9.958 1.00 0.00 C ATOM 213 C GLY A 33 2.499 -3.304 9.289 1.00 0.00 C ATOM 214 O GLY A 33 1.550 -2.590 9.001 1.00 0.00 O ATOM 0 H GLY A 33 3.600 -0.578 10.015 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.586 -3.320 9.794 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.556 -2.635 11.034 1.00 0.00 H new ATOM 215 N ALA A 34 2.472 -4.631 9.082 1.00 0.00 N ATOM 216 CA ALA A 34 1.389 -5.366 8.429 1.00 0.00 C ATOM 217 C ALA A 34 0.016 -4.951 8.929 1.00 0.00 C ATOM 218 O ALA A 34 -0.875 -4.689 8.130 1.00 0.00 O ATOM 219 CB ALA A 34 1.544 -6.878 8.654 1.00 0.00 C ATOM 0 H ALA A 34 3.235 -5.239 9.378 1.00 0.00 H new ATOM 0 HA ALA A 34 1.461 -5.126 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.728 -7.405 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.495 -7.212 8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.519 -7.091 9.723 1.00 0.00 H new ATOM 220 N GLU A 35 -0.159 -4.907 10.249 1.00 0.00 N ATOM 221 CA GLU A 35 -1.442 -4.528 10.832 1.00 0.00 C ATOM 222 C GLU A 35 -1.827 -3.120 10.367 1.00 0.00 C ATOM 223 O GLU A 35 -2.974 -2.868 10.008 1.00 0.00 O ATOM 224 CB GLU A 35 -1.358 -4.620 12.364 1.00 0.00 C ATOM 225 CG GLU A 35 -2.694 -4.293 13.052 1.00 0.00 C ATOM 226 CD GLU A 35 -3.833 -5.203 12.596 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.649 -6.435 12.697 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.863 -4.651 12.153 1.00 0.00 O ATOM 0 H GLU A 35 0.567 -5.128 10.930 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.221 -5.212 10.497 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.045 -5.625 12.647 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.591 -3.934 12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.573 -4.383 14.132 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.959 -3.256 12.846 1.00 0.00 H new ATOM 229 N GLU A 36 -0.848 -2.215 10.366 1.00 0.00 N ATOM 230 CA GLU A 36 -0.993 -0.834 9.950 1.00 0.00 C ATOM 231 C GLU A 36 -1.439 -0.832 8.496 1.00 0.00 C ATOM 232 O GLU A 36 -2.542 -0.420 8.160 1.00 0.00 O ATOM 233 CB GLU A 36 0.384 -0.154 10.100 1.00 0.00 C ATOM 234 CG GLU A 36 0.356 1.307 10.552 1.00 0.00 C ATOM 235 CD GLU A 36 1.763 1.913 10.542 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.735 1.130 10.427 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.839 3.157 10.640 1.00 0.00 O ATOM 0 H GLU A 36 0.100 -2.440 10.667 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.727 -0.298 10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.975 -0.725 10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.902 -0.209 9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.296 1.882 9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.065 1.373 11.555 1.00 0.00 H new ATOM 238 N LEU A 37 -0.550 -1.351 7.658 1.00 0.00 N ATOM 239 CA LEU A 37 -0.682 -1.473 6.220 1.00 0.00 C ATOM 240 C LEU A 37 -2.053 -2.041 5.849 1.00 0.00 C ATOM 241 O LEU A 37 -2.727 -1.523 4.962 1.00 0.00 O ATOM 242 CB LEU A 37 0.452 -2.379 5.725 1.00 0.00 C ATOM 243 CG LEU A 37 1.848 -1.739 5.851 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.926 -2.824 5.812 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.095 -0.787 4.684 1.00 0.00 C ATOM 0 H LEU A 37 0.340 -1.721 7.992 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.609 -0.495 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.436 -3.311 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.272 -2.636 4.681 1.00 0.00 H new ATOM 0 HG LEU A 37 1.891 -1.197 6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.910 -2.363 5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.774 -3.518 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.864 -3.365 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.084 -0.340 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.038 -1.339 3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.340 -0.001 4.689 1.00 0.00 H new ATOM 246 N TYR A 38 -2.479 -3.099 6.536 1.00 0.00 N ATOM 247 CA TYR A 38 -3.749 -3.751 6.286 1.00 0.00 C ATOM 248 C TYR A 38 -4.918 -2.889 6.737 1.00 0.00 C ATOM 249 O TYR A 38 -5.880 -2.750 5.990 1.00 0.00 O ATOM 250 CB TYR A 38 -3.779 -5.097 7.001 1.00 0.00 C ATOM 251 CG TYR A 38 -4.955 -5.960 6.591 1.00 0.00 C ATOM 252 CD1 TYR A 38 -4.970 -6.559 5.318 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.091 -6.050 7.418 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.101 -7.271 4.887 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.226 -6.755 6.982 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.231 -7.364 5.714 1.00 0.00 C ATOM 257 OH TYR A 38 -8.332 -8.041 5.280 1.00 0.00 O ATOM 0 H TYR A 38 -1.941 -3.527 7.289 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.850 -3.904 5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.853 -5.633 6.794 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.816 -4.929 8.077 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.110 -6.471 4.671 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.090 -5.577 8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.101 -7.748 3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.094 -6.829 7.620 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.027 -8.013 5.971 1.00 0.00 H new ATOM 258 N LYS A 39 -4.870 -2.326 7.949 1.00 0.00 N ATOM 259 CA LYS A 39 -5.957 -1.484 8.429 1.00 0.00 C ATOM 260 C LYS A 39 -6.127 -0.299 7.473 1.00 0.00 C ATOM 261 O LYS A 39 -7.240 0.091 7.123 1.00 0.00 O ATOM 262 CB LYS A 39 -5.639 -1.011 9.857 1.00 0.00 C ATOM 263 CG LYS A 39 -6.851 -0.377 10.558 1.00 0.00 C ATOM 264 CD LYS A 39 -7.817 -1.431 11.127 1.00 0.00 C ATOM 265 CE LYS A 39 -7.564 -1.726 12.613 1.00 0.00 C ATOM 266 NZ LYS A 39 -6.193 -2.197 12.875 1.00 0.00 N ATOM 0 H LYS A 39 -4.097 -2.439 8.605 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.893 -2.043 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.287 -1.858 10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.825 -0.287 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.504 0.268 11.366 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.385 0.258 9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.843 -1.085 10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.719 -2.354 10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.751 -0.824 13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.274 -2.479 12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.083 -2.397 13.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.014 -3.064 12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.513 -1.463 12.591 1.00 0.00 H new ATOM 267 N LYS A 40 -5.000 0.257 7.031 1.00 0.00 N ATOM 268 CA LYS A 40 -4.939 1.382 6.139 1.00 0.00 C ATOM 269 C LYS A 40 -5.521 1.001 4.778 1.00 0.00 C ATOM 270 O LYS A 40 -6.393 1.698 4.256 1.00 0.00 O ATOM 271 CB LYS A 40 -3.470 1.774 6.049 1.00 0.00 C ATOM 272 CG LYS A 40 -2.910 2.397 7.339 1.00 0.00 C ATOM 273 CD LYS A 40 -3.290 3.873 7.467 1.00 0.00 C ATOM 274 CE LYS A 40 -2.488 4.586 8.562 1.00 0.00 C ATOM 275 NZ LYS A 40 -1.076 4.759 8.172 1.00 0.00 N ATOM 0 H LYS A 40 -4.079 -0.086 7.302 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.529 2.226 6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.883 0.890 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.343 2.482 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.288 1.848 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.824 2.299 7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.123 4.373 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.354 3.954 7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.933 5.560 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.543 4.012 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.625 5.453 8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.580 3.848 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.026 5.098 7.190 1.00 0.00 H new ATOM 276 N MET A 41 -5.055 -0.110 4.195 1.00 0.00 N ATOM 277 CA MET A 41 -5.577 -0.553 2.920 1.00 0.00 C ATOM 278 C MET A 41 -7.055 -0.882 3.055 1.00 0.00 C ATOM 279 O MET A 41 -7.788 -0.579 2.130 1.00 0.00 O ATOM 280 CB MET A 41 -4.785 -1.735 2.371 1.00 0.00 C ATOM 281 CG MET A 41 -3.514 -1.223 1.686 1.00 0.00 C ATOM 282 SD MET A 41 -2.606 -2.443 0.711 1.00 0.00 S ATOM 283 CE MET A 41 -2.100 -3.543 2.040 1.00 0.00 C ATOM 0 H MET A 41 -4.326 -0.705 4.589 1.00 0.00 H new ATOM 0 HA MET A 41 -5.468 0.257 2.199 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.525 -2.419 3.179 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.393 -2.296 1.661 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.784 -0.392 1.034 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.846 -0.825 2.450 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.447 -4.319 1.641 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.565 -2.973 2.800 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.981 -4.004 2.486 1.00 0.00 H new ATOM 284 N LYS A 42 -7.524 -1.482 4.154 1.00 0.00 N ATOM 285 CA LYS A 42 -8.953 -1.726 4.322 1.00 0.00 C ATOM 286 C LYS A 42 -9.645 -0.359 4.271 1.00 0.00 C ATOM 287 O LYS A 42 -10.657 -0.183 3.591 1.00 0.00 O ATOM 288 CB LYS A 42 -9.232 -2.470 5.638 1.00 0.00 C ATOM 289 CG LYS A 42 -10.729 -2.566 5.980 1.00 0.00 C ATOM 290 CD LYS A 42 -11.567 -3.200 4.857 1.00 0.00 C ATOM 291 CE LYS A 42 -13.038 -3.370 5.262 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.705 -2.079 5.518 1.00 0.00 N ATOM 0 H LYS A 42 -6.942 -1.802 4.928 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.340 -2.369 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.816 -3.476 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.713 -1.962 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.850 -3.153 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.112 -1.567 6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.507 -2.578 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.148 -4.172 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.570 -3.900 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.096 -3.989 6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.704 -2.245 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.236 -1.598 6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.645 -1.483 4.668 1.00 0.00 H new ATOM 293 N GLY A 43 -9.069 0.613 4.985 1.00 0.00 N ATOM 294 CA GLY A 43 -9.531 1.985 5.020 1.00 0.00 C ATOM 295 C GLY A 43 -9.731 2.530 3.604 1.00 0.00 C ATOM 296 O GLY A 43 -10.763 3.126 3.305 1.00 0.00 O ATOM 0 H GLY A 43 -8.247 0.453 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.469 2.043 5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.808 2.603 5.553 1.00 0.00 H new ATOM 297 N TYR A 44 -8.742 2.373 2.722 1.00 0.00 N ATOM 298 CA TYR A 44 -8.888 2.854 1.353 1.00 0.00 C ATOM 299 C TYR A 44 -9.889 1.969 0.593 1.00 0.00 C ATOM 300 O TYR A 44 -10.872 2.467 0.053 1.00 0.00 O ATOM 301 CB TYR A 44 -7.517 2.883 0.660 1.00 0.00 C ATOM 302 CG TYR A 44 -6.570 3.989 1.095 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.976 5.336 1.032 1.00 0.00 C ATOM 304 CD2 TYR A 44 -5.229 3.686 1.403 1.00 0.00 C ATOM 305 CE1 TYR A 44 -6.070 6.361 1.346 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.316 4.718 1.676 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.739 6.056 1.664 1.00 0.00 C ATOM 308 OH TYR A 44 -3.867 7.063 1.941 1.00 0.00 O ATOM 0 H TYR A 44 -7.849 1.925 2.928 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.279 3.871 1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.026 1.925 0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.678 2.972 -0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.987 5.581 0.741 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.902 2.657 1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.400 7.389 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.285 4.481 1.896 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.051 6.690 2.335 1.00 0.00 H new ATOM 309 N ALA A 45 -9.640 0.657 0.582 1.00 0.00 N ATOM 310 CA ALA A 45 -10.403 -0.399 -0.076 1.00 0.00 C ATOM 311 C ALA A 45 -11.907 -0.178 0.070 1.00 0.00 C ATOM 312 O ALA A 45 -12.636 -0.187 -0.919 1.00 0.00 O ATOM 313 CB ALA A 45 -10.066 -1.764 0.533 1.00 0.00 C ATOM 0 H ALA A 45 -8.832 0.278 1.075 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.132 -0.374 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.644 -2.539 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.002 -1.966 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.312 -1.759 1.595 1.00 0.00 H new ATOM 314 N ASP A 46 -12.362 -0.016 1.318 1.00 0.00 N ATOM 315 CA ASP A 46 -13.765 0.143 1.657 1.00 0.00 C ATOM 316 C ASP A 46 -13.906 0.779 3.052 1.00 0.00 C ATOM 317 O ASP A 46 -14.559 0.209 3.925 1.00 0.00 O ATOM 318 CB ASP A 46 -14.399 -1.255 1.616 1.00 0.00 C ATOM 319 CG ASP A 46 -15.896 -1.255 1.919 1.00 0.00 C ATOM 320 OD1 ASP A 46 -16.573 -0.311 1.456 1.00 0.00 O ATOM 321 OD2 ASP A 46 -16.335 -2.213 2.591 1.00 0.00 O ATOM 0 H ASP A 46 -11.746 0.007 2.131 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.269 0.805 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.236 -1.690 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.891 -1.897 2.336 1.00 0.00 H new ATOM 322 N GLY A 47 -13.267 1.926 3.319 1.00 0.00 N ATOM 323 CA GLY A 47 -13.401 2.583 4.620 1.00 0.00 C ATOM 324 C GLY A 47 -13.134 4.087 4.542 1.00 0.00 C ATOM 325 O GLY A 47 -12.840 4.717 5.554 1.00 0.00 O ATOM 0 H GLY A 47 -12.660 2.411 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.406 2.414 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.706 2.129 5.327 1.00 0.00 H new ATOM 326 N SER A 48 -13.248 4.653 3.334 1.00 0.00 N ATOM 327 CA SER A 48 -13.072 6.048 2.973 1.00 0.00 C ATOM 328 C SER A 48 -11.908 6.718 3.721 1.00 0.00 C ATOM 329 O SER A 48 -12.016 7.860 4.170 1.00 0.00 O ATOM 330 CB SER A 48 -14.441 6.698 3.177 1.00 0.00 C ATOM 331 OG SER A 48 -14.423 8.108 3.075 1.00 0.00 O ATOM 0 H SER A 48 -13.487 4.088 2.519 1.00 0.00 H new ATOM 0 HA SER A 48 -12.762 6.168 1.935 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.136 6.298 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.823 6.419 4.159 1.00 0.00 H new ATOM 0 HG SER A 48 -13.569 8.450 3.414 1.00 0.00 H new ATOM 332 N TYR A 49 -10.787 6.005 3.844 1.00 0.00 N ATOM 333 CA TYR A 49 -9.583 6.546 4.473 1.00 0.00 C ATOM 334 C TYR A 49 -8.918 7.514 3.484 1.00 0.00 C ATOM 335 O TYR A 49 -9.217 7.474 2.291 1.00 0.00 O ATOM 336 CB TYR A 49 -8.668 5.386 4.871 1.00 0.00 C ATOM 337 CG TYR A 49 -7.283 5.743 5.372 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.101 6.592 6.480 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.162 5.233 4.698 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.806 7.019 6.830 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.876 5.667 5.043 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.694 6.597 6.079 1.00 0.00 C ATOM 343 OH TYR A 49 -3.439 6.986 6.448 1.00 0.00 O ATOM 0 H TYR A 49 -10.689 5.045 3.513 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.815 7.101 5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.171 4.809 5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.557 4.730 4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.953 6.915 7.060 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.292 4.504 3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.666 7.673 7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.019 5.284 4.509 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.777 6.409 6.013 1.00 0.00 H new ATOM 344 N GLY A 50 -8.025 8.386 3.966 1.00 0.00 N ATOM 345 CA GLY A 50 -7.356 9.369 3.128 1.00 0.00 C ATOM 346 C GLY A 50 -5.860 9.509 3.383 1.00 0.00 C ATOM 347 O GLY A 50 -5.275 8.822 4.214 1.00 0.00 O ATOM 0 H GLY A 50 -7.751 8.424 4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.509 9.100 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.829 10.339 3.280 1.00 0.00 H new ATOM 348 N GLY A 51 -5.271 10.450 2.646 1.00 0.00 N ATOM 349 CA GLY A 51 -3.904 10.848 2.562 1.00 0.00 C ATOM 350 C GLY A 51 -3.777 11.774 1.359 1.00 0.00 C ATOM 351 O GLY A 51 -4.745 11.995 0.627 1.00 0.00 O ATOM 0 H GLY A 51 -5.839 11.016 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.595 11.358 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.257 9.979 2.448 1.00 0.00 H new ATOM 352 N GLU A 52 -2.579 12.305 1.162 1.00 0.00 N ATOM 353 CA GLU A 52 -2.231 13.218 0.084 1.00 0.00 C ATOM 354 C GLU A 52 -2.513 12.628 -1.307 1.00 0.00 C ATOM 355 O GLU A 52 -2.738 13.389 -2.247 1.00 0.00 O ATOM 356 CB GLU A 52 -0.757 13.613 0.227 1.00 0.00 C ATOM 357 CG GLU A 52 -0.506 14.424 1.508 1.00 0.00 C ATOM 358 CD GLU A 52 0.913 14.989 1.578 1.00 0.00 C ATOM 359 OE1 GLU A 52 1.395 15.460 0.523 1.00 0.00 O ATOM 360 OE2 GLU A 52 1.482 14.971 2.691 1.00 0.00 O ATOM 0 H GLU A 52 -1.790 12.102 1.775 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.863 14.102 0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.139 12.715 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.452 14.199 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.222 15.244 1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.684 13.789 2.376 1.00 0.00 H new ATOM 361 N ARG A 53 -2.470 11.301 -1.465 1.00 0.00 N ATOM 362 CA ARG A 53 -2.743 10.607 -2.724 1.00 0.00 C ATOM 363 C ARG A 53 -3.822 9.541 -2.516 1.00 0.00 C ATOM 364 O ARG A 53 -3.836 8.515 -3.199 1.00 0.00 O ATOM 365 CB ARG A 53 -1.450 9.990 -3.277 1.00 0.00 C ATOM 366 CG ARG A 53 -0.359 11.032 -3.557 1.00 0.00 C ATOM 367 CD ARG A 53 -0.696 11.955 -4.732 1.00 0.00 C ATOM 368 NE ARG A 53 0.381 12.929 -4.949 1.00 0.00 N ATOM 369 CZ ARG A 53 0.533 14.084 -4.282 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.365 14.482 -3.373 1.00 0.00 N ATOM 371 NH2 ARG A 53 1.603 14.845 -4.532 1.00 0.00 N ATOM 0 H ARG A 53 -2.239 10.666 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.115 11.324 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.070 9.257 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.676 9.452 -4.198 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.203 11.635 -2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.580 10.519 -3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.846 11.363 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.632 12.478 -4.534 1.00 0.00 H new ATOM 0 HE ARG A 53 1.072 12.710 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.182 13.904 -3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.232 15.363 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.292 14.546 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.731 15.725 -4.032 1.00 0.00 H new ATOM 372 N LYS A 54 -4.767 9.809 -1.607 1.00 0.00 N ATOM 373 CA LYS A 54 -5.859 8.938 -1.270 1.00 0.00 C ATOM 374 C LYS A 54 -6.599 8.384 -2.484 1.00 0.00 C ATOM 375 O LYS A 54 -7.003 7.227 -2.483 1.00 0.00 O ATOM 376 CB LYS A 54 -6.828 9.757 -0.427 1.00 0.00 C ATOM 377 CG LYS A 54 -7.387 11.049 -1.045 1.00 0.00 C ATOM 378 CD LYS A 54 -8.197 11.809 0.014 1.00 0.00 C ATOM 379 CE LYS A 54 -8.819 13.091 -0.553 1.00 0.00 C ATOM 380 NZ LYS A 54 -7.792 14.067 -0.961 1.00 0.00 N ATOM 0 H LYS A 54 -4.777 10.679 -1.074 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.459 8.073 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.671 9.117 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.326 10.019 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.572 11.672 -1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.018 10.812 -1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.985 11.163 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.550 12.060 0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.444 12.842 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.470 13.541 0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.250 14.962 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.138 14.234 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.262 13.694 -1.775 1.00 0.00 H new ATOM 381 N ALA A 55 -6.815 9.220 -3.504 1.00 0.00 N ATOM 382 CA ALA A 55 -7.540 8.823 -4.699 1.00 0.00 C ATOM 383 C ALA A 55 -6.791 7.722 -5.439 1.00 0.00 C ATOM 384 O ALA A 55 -7.378 6.687 -5.746 1.00 0.00 O ATOM 385 CB ALA A 55 -7.763 10.045 -5.595 1.00 0.00 C ATOM 0 H ALA A 55 -6.490 10.187 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.512 8.422 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.307 9.745 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.341 10.793 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.800 10.468 -5.880 1.00 0.00 H new ATOM 386 N MET A 56 -5.501 7.936 -5.718 1.00 0.00 N ATOM 387 CA MET A 56 -4.697 6.934 -6.401 1.00 0.00 C ATOM 388 C MET A 56 -4.702 5.666 -5.558 1.00 0.00 C ATOM 389 O MET A 56 -4.912 4.571 -6.076 1.00 0.00 O ATOM 390 CB MET A 56 -3.260 7.435 -6.604 1.00 0.00 C ATOM 391 CG MET A 56 -2.367 6.334 -7.202 1.00 0.00 C ATOM 392 SD MET A 56 -2.939 5.542 -8.729 1.00 0.00 S ATOM 393 CE MET A 56 -2.859 6.941 -9.868 1.00 0.00 C ATOM 0 H MET A 56 -4.999 8.792 -5.480 1.00 0.00 H new ATOM 0 HA MET A 56 -5.117 6.732 -7.386 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.264 8.302 -7.264 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.848 7.763 -5.650 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.383 6.763 -7.392 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.236 5.558 -6.448 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.181 6.622 -10.859 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.513 7.737 -9.513 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.835 7.310 -9.920 1.00 0.00 H new ATOM 394 N MET A 57 -4.476 5.830 -4.253 1.00 0.00 N ATOM 395 CA MET A 57 -4.447 4.712 -3.336 1.00 0.00 C ATOM 396 C MET A 57 -5.749 3.917 -3.442 1.00 0.00 C ATOM 397 O MET A 57 -5.721 2.747 -3.809 1.00 0.00 O ATOM 398 CB MET A 57 -4.136 5.242 -1.926 1.00 0.00 C ATOM 399 CG MET A 57 -2.617 5.407 -1.730 1.00 0.00 C ATOM 400 SD MET A 57 -1.632 3.926 -2.105 1.00 0.00 S ATOM 401 CE MET A 57 -2.540 2.664 -1.173 1.00 0.00 C ATOM 0 H MET A 57 -4.311 6.736 -3.815 1.00 0.00 H new ATOM 0 HA MET A 57 -3.656 4.006 -3.588 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.634 6.200 -1.774 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.532 4.555 -1.178 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.271 6.225 -2.361 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.428 5.699 -0.697 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.193 1.674 -1.468 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.368 2.806 -0.106 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.606 2.752 -1.384 1.00 0.00 H new ATOM 402 N THR A 58 -6.892 4.540 -3.175 1.00 0.00 N ATOM 403 CA THR A 58 -8.196 3.908 -3.276 1.00 0.00 C ATOM 404 C THR A 58 -8.371 3.271 -4.656 1.00 0.00 C ATOM 405 O THR A 58 -8.837 2.143 -4.739 1.00 0.00 O ATOM 406 CB THR A 58 -9.296 4.935 -2.971 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.034 5.541 -1.722 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.673 4.269 -2.888 1.00 0.00 C ATOM 0 H THR A 58 -6.935 5.515 -2.878 1.00 0.00 H new ATOM 0 HA THR A 58 -8.274 3.109 -2.539 1.00 0.00 H new ATOM 0 HB THR A 58 -9.299 5.670 -3.776 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.364 6.247 -1.835 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.429 5.023 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.902 3.788 -3.839 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.668 3.521 -2.095 1.00 0.00 H new ATOM 409 N ASN A 59 -7.988 3.944 -5.744 1.00 0.00 N ATOM 410 CA ASN A 59 -8.124 3.376 -7.081 1.00 0.00 C ATOM 411 C ASN A 59 -7.302 2.088 -7.207 1.00 0.00 C ATOM 412 O ASN A 59 -7.780 1.113 -7.785 1.00 0.00 O ATOM 413 CB ASN A 59 -7.681 4.404 -8.134 1.00 0.00 C ATOM 414 CG ASN A 59 -8.091 4.077 -9.574 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.194 4.983 -10.393 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.341 2.819 -9.937 1.00 0.00 N ATOM 0 H ASN A 59 -7.583 4.880 -5.722 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.171 3.127 -7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.095 5.376 -7.867 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.596 4.498 -8.094 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.618 2.610 -10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.255 2.065 -9.256 1.00 0.00 H new ATOM 417 N ALA A 60 -6.067 2.081 -6.700 1.00 0.00 N ATOM 418 CA ALA A 60 -5.185 0.926 -6.788 1.00 0.00 C ATOM 419 C ALA A 60 -5.671 -0.226 -5.905 1.00 0.00 C ATOM 420 O ALA A 60 -5.650 -1.389 -6.299 1.00 0.00 O ATOM 421 CB ALA A 60 -3.776 1.351 -6.362 1.00 0.00 C ATOM 0 H ALA A 60 -5.654 2.879 -6.217 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.181 0.568 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.104 0.495 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.419 2.141 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.802 1.720 -5.337 1.00 0.00 H new ATOM 422 N VAL A 61 -6.102 0.116 -4.697 1.00 0.00 N ATOM 423 CA VAL A 61 -6.547 -0.793 -3.658 1.00 0.00 C ATOM 424 C VAL A 61 -7.935 -1.389 -3.928 1.00 0.00 C ATOM 425 O VAL A 61 -8.129 -2.588 -3.745 1.00 0.00 O ATOM 426 CB VAL A 61 -6.480 0.016 -2.348 1.00 0.00 C ATOM 427 CG1 VAL A 61 -7.068 -0.688 -1.138 1.00 0.00 C ATOM 428 CG2 VAL A 61 -5.031 0.348 -1.967 1.00 0.00 C ATOM 0 H VAL A 61 -6.152 1.092 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.907 -1.674 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.071 0.904 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.977 -0.045 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.120 -0.907 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.529 -1.619 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.021 0.919 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.470 -0.576 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.572 0.938 -2.761 1.00 0.00 H new ATOM 429 N LYS A 62 -8.905 -0.584 -4.363 1.00 0.00 N ATOM 430 CA LYS A 62 -10.282 -1.011 -4.600 1.00 0.00 C ATOM 431 C LYS A 62 -10.382 -2.220 -5.535 1.00 0.00 C ATOM 432 O LYS A 62 -11.291 -3.030 -5.377 1.00 0.00 O ATOM 433 CB LYS A 62 -11.093 0.183 -5.137 1.00 0.00 C ATOM 434 CG LYS A 62 -12.577 -0.108 -5.409 1.00 0.00 C ATOM 435 CD LYS A 62 -13.331 -0.492 -4.127 1.00 0.00 C ATOM 436 CE LYS A 62 -14.828 -0.708 -4.378 1.00 0.00 C ATOM 437 NZ LYS A 62 -15.507 0.532 -4.793 1.00 0.00 N ATOM 0 H LYS A 62 -8.751 0.404 -4.564 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.700 -1.343 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.024 1.001 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.631 0.530 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.043 0.771 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.661 -0.916 -6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.899 -1.403 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.199 0.292 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.960 -1.468 -5.148 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.295 -1.090 -3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.537 0.388 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.251 1.302 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.213 0.782 -5.759 1.00 0.00 H new ATOM 438 N LYS A 63 -9.479 -2.356 -6.513 1.00 0.00 N ATOM 439 CA LYS A 63 -9.532 -3.489 -7.430 1.00 0.00 C ATOM 440 C LYS A 63 -9.052 -4.794 -6.773 1.00 0.00 C ATOM 441 O LYS A 63 -9.169 -5.851 -7.391 1.00 0.00 O ATOM 442 CB LYS A 63 -8.759 -3.176 -8.722 1.00 0.00 C ATOM 443 CG LYS A 63 -7.333 -2.655 -8.514 1.00 0.00 C ATOM 444 CD LYS A 63 -6.569 -2.725 -9.843 1.00 0.00 C ATOM 445 CE LYS A 63 -5.252 -1.941 -9.797 1.00 0.00 C ATOM 446 NZ LYS A 63 -4.376 -2.396 -8.704 1.00 0.00 N ATOM 0 H LYS A 63 -8.715 -1.703 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.577 -3.651 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.714 -4.080 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.320 -2.436 -9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.358 -1.628 -8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.823 -3.250 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.361 -3.767 -10.086 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.197 -2.331 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.731 -2.051 -10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.466 -0.880 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.406 -2.060 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.721 -2.014 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.381 -3.435 -8.665 1.00 0.00 H new ATOM 447 N TYR A 64 -8.493 -4.751 -5.558 1.00 0.00 N ATOM 448 CA TYR A 64 -8.038 -5.912 -4.839 1.00 0.00 C ATOM 449 C TYR A 64 -9.127 -6.334 -3.851 1.00 0.00 C ATOM 450 O TYR A 64 -10.202 -5.747 -3.760 1.00 0.00 O ATOM 451 CB TYR A 64 -6.726 -5.540 -4.132 1.00 0.00 C ATOM 452 CG TYR A 64 -5.574 -5.113 -5.025 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.327 -5.752 -6.257 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.650 -4.170 -4.539 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.181 -5.429 -7.005 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.506 -3.851 -5.286 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.261 -4.491 -6.510 1.00 0.00 C ATOM 458 OH TYR A 64 -2.130 -4.200 -7.214 1.00 0.00 O ATOM 0 H TYR A 64 -8.348 -3.879 -5.049 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.848 -6.756 -5.502 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.933 -4.731 -3.432 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.401 -6.397 -3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.020 -6.492 -6.628 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.822 -3.690 -3.587 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.008 -5.902 -7.960 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.812 -3.110 -4.917 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.303 -4.313 -8.172 1.00 0.00 H new ATOM 459 N SER A 65 -8.816 -7.393 -3.117 1.00 0.00 N ATOM 460 CA SER A 65 -9.635 -8.015 -2.087 1.00 0.00 C ATOM 461 C SER A 65 -8.762 -8.334 -0.881 1.00 0.00 C ATOM 462 O SER A 65 -7.539 -8.264 -0.959 1.00 0.00 O ATOM 463 CB SER A 65 -10.308 -9.273 -2.631 1.00 0.00 C ATOM 464 OG SER A 65 -11.150 -9.827 -1.636 1.00 0.00 O ATOM 0 H SER A 65 -7.924 -7.873 -3.234 1.00 0.00 H new ATOM 0 HA SER A 65 -10.423 -7.328 -1.779 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.889 -9.031 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.554 -10.001 -2.931 1.00 0.00 H new ATOM 0 HG SER A 65 -11.583 -10.634 -1.986 1.00 0.00 H new ATOM 465 N ASP A 66 -9.413 -8.728 0.210 1.00 0.00 N ATOM 466 CA ASP A 66 -8.804 -9.037 1.501 1.00 0.00 C ATOM 467 C ASP A 66 -7.507 -9.840 1.369 1.00 0.00 C ATOM 468 O ASP A 66 -6.487 -9.460 1.933 1.00 0.00 O ATOM 469 CB ASP A 66 -9.821 -9.757 2.406 1.00 0.00 C ATOM 470 CG ASP A 66 -10.135 -11.197 2.001 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.199 -11.457 0.778 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.294 -12.022 2.926 1.00 0.00 O ATOM 0 H ASP A 66 -10.426 -8.846 0.219 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.525 -8.091 1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.441 -9.757 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.749 -9.186 2.411 1.00 0.00 H new ATOM 473 N GLU A 67 -7.531 -10.925 0.596 1.00 0.00 N ATOM 474 CA GLU A 67 -6.376 -11.795 0.406 1.00 0.00 C ATOM 475 C GLU A 67 -5.221 -11.025 -0.244 1.00 0.00 C ATOM 476 O GLU A 67 -4.082 -11.079 0.216 1.00 0.00 O ATOM 477 CB GLU A 67 -6.818 -13.014 -0.419 1.00 0.00 C ATOM 478 CG GLU A 67 -5.710 -14.064 -0.605 1.00 0.00 C ATOM 479 CD GLU A 67 -4.773 -13.757 -1.771 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.297 -13.525 -2.882 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.540 -13.790 -1.563 1.00 0.00 O ATOM 0 H GLU A 67 -8.359 -11.225 0.081 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.999 -12.148 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.673 -13.482 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.156 -12.676 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.126 -14.131 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.168 -15.040 -0.764 1.00 0.00 H new ATOM 482 N GLU A 68 -5.517 -10.303 -1.323 1.00 0.00 N ATOM 483 CA GLU A 68 -4.539 -9.516 -2.052 1.00 0.00 C ATOM 484 C GLU A 68 -3.957 -8.441 -1.126 1.00 0.00 C ATOM 485 O GLU A 68 -2.743 -8.266 -1.066 1.00 0.00 O ATOM 486 CB GLU A 68 -5.239 -8.885 -3.258 1.00 0.00 C ATOM 487 CG GLU A 68 -5.858 -9.879 -4.252 1.00 0.00 C ATOM 488 CD GLU A 68 -4.817 -10.488 -5.181 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.108 -11.410 -4.721 1.00 0.00 O ATOM 490 OE2 GLU A 68 -4.743 -10.021 -6.337 1.00 0.00 O ATOM 0 H GLU A 68 -6.457 -10.251 -1.716 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.717 -10.141 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.025 -8.222 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.519 -8.264 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.361 -10.674 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.619 -9.371 -4.845 1.00 0.00 H new ATOM 491 N LEU A 69 -4.822 -7.727 -0.398 1.00 0.00 N ATOM 492 CA LEU A 69 -4.403 -6.686 0.533 1.00 0.00 C ATOM 493 C LEU A 69 -3.507 -7.293 1.612 1.00 0.00 C ATOM 494 O LEU A 69 -2.465 -6.732 1.943 1.00 0.00 O ATOM 495 CB LEU A 69 -5.626 -6.006 1.165 1.00 0.00 C ATOM 496 CG LEU A 69 -6.540 -5.295 0.155 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.713 -4.649 0.899 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.796 -4.247 -0.672 1.00 0.00 C ATOM 0 H LEU A 69 -5.833 -7.858 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.839 -5.928 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.208 -6.755 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.284 -5.280 1.903 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.908 -6.045 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.363 -4.144 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.279 -5.419 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.333 -3.924 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.488 -3.775 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.377 -3.490 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.991 -4.727 -1.229 1.00 0.00 H new ATOM 499 N LYS A 70 -3.904 -8.442 2.161 1.00 0.00 N ATOM 500 CA LYS A 70 -3.136 -9.136 3.178 1.00 0.00 C ATOM 501 C LYS A 70 -1.769 -9.519 2.611 1.00 0.00 C ATOM 502 O LYS A 70 -0.761 -9.351 3.292 1.00 0.00 O ATOM 503 CB LYS A 70 -3.918 -10.365 3.664 1.00 0.00 C ATOM 504 CG LYS A 70 -3.217 -11.061 4.837 1.00 0.00 C ATOM 505 CD LYS A 70 -4.056 -12.254 5.312 1.00 0.00 C ATOM 506 CE LYS A 70 -3.431 -12.940 6.533 1.00 0.00 C ATOM 507 NZ LYS A 70 -2.107 -13.512 6.229 1.00 0.00 N ATOM 0 H LYS A 70 -4.772 -8.914 1.907 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.972 -8.485 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.920 -10.061 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.035 -11.070 2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.227 -11.400 4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.074 -10.357 5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.062 -11.915 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.154 -12.975 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.336 -12.219 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.095 -13.730 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.773 -14.066 7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.179 -14.130 5.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.434 -12.744 6.034 1.00 0.00 H new ATOM 508 N ALA A 71 -1.719 -10.016 1.370 1.00 0.00 N ATOM 509 CA ALA A 71 -0.468 -10.411 0.749 1.00 0.00 C ATOM 510 C ALA A 71 0.416 -9.180 0.585 1.00 0.00 C ATOM 511 O ALA A 71 1.591 -9.199 0.953 1.00 0.00 O ATOM 512 CB ALA A 71 -0.745 -11.084 -0.596 1.00 0.00 C ATOM 0 H ALA A 71 -2.540 -10.151 0.780 1.00 0.00 H new ATOM 0 HA ALA A 71 0.054 -11.131 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.198 -11.378 -1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.364 -11.968 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.267 -10.387 -1.251 1.00 0.00 H new ATOM 513 N LEU A 72 -0.149 -8.095 0.049 1.00 0.00 N ATOM 514 CA LEU A 72 0.602 -6.873 -0.137 1.00 0.00 C ATOM 515 C LEU A 72 1.150 -6.369 1.185 1.00 0.00 C ATOM 516 O LEU A 72 2.334 -6.069 1.264 1.00 0.00 O ATOM 517 CB LEU A 72 -0.345 -5.821 -0.689 1.00 0.00 C ATOM 518 CG LEU A 72 -0.409 -5.927 -2.201 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.447 -4.932 -2.646 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.913 -5.480 -2.805 1.00 0.00 C ATOM 0 H LEU A 72 -1.120 -8.048 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 72 1.434 -7.064 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.340 -5.955 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.006 -4.826 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.631 -6.950 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.538 -4.962 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.407 -5.181 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.148 -3.931 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.862 -5.558 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.110 -4.445 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.716 -6.116 -2.433 1.00 0.00 H new ATOM 521 N ALA A 73 0.299 -6.230 2.204 1.00 0.00 N ATOM 522 CA ALA A 73 0.745 -5.722 3.489 1.00 0.00 C ATOM 523 C ALA A 73 1.777 -6.660 4.091 1.00 0.00 C ATOM 524 O ALA A 73 2.733 -6.182 4.683 1.00 0.00 O ATOM 525 CB ALA A 73 -0.424 -5.591 4.472 1.00 0.00 C ATOM 0 H ALA A 73 -0.693 -6.462 2.159 1.00 0.00 H new ATOM 0 HA ALA A 73 1.181 -4.737 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.057 -5.208 5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.166 -4.903 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.881 -6.568 4.626 1.00 0.00 H new ATOM 526 N ASP A 74 1.581 -7.979 3.993 1.00 0.00 N ATOM 527 CA ASP A 74 2.556 -8.934 4.498 1.00 0.00 C ATOM 528 C ASP A 74 3.904 -8.603 3.862 1.00 0.00 C ATOM 529 O ASP A 74 4.899 -8.446 4.569 1.00 0.00 O ATOM 530 CB ASP A 74 2.124 -10.369 4.177 1.00 0.00 C ATOM 531 CG ASP A 74 3.232 -11.363 4.505 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.530 -11.510 5.709 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.774 -11.949 3.543 1.00 0.00 O ATOM 0 H ASP A 74 0.756 -8.403 3.569 1.00 0.00 H new ATOM 0 HA ASP A 74 2.633 -8.863 5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.228 -10.618 4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.863 -10.446 3.121 1.00 0.00 H new ATOM 534 N TYR A 75 3.926 -8.442 2.532 1.00 0.00 N ATOM 535 CA TYR A 75 5.154 -8.095 1.840 1.00 0.00 C ATOM 536 C TYR A 75 5.671 -6.745 2.361 1.00 0.00 C ATOM 537 O TYR A 75 6.781 -6.679 2.886 1.00 0.00 O ATOM 538 CB TYR A 75 4.958 -8.115 0.321 1.00 0.00 C ATOM 539 CG TYR A 75 6.268 -7.827 -0.383 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.289 -8.795 -0.330 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.582 -6.509 -0.762 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.610 -8.455 -0.669 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.903 -6.174 -1.110 1.00 0.00 C ATOM 544 CZ TYR A 75 8.916 -7.141 -1.058 1.00 0.00 C ATOM 545 OH TYR A 75 10.194 -6.796 -1.380 1.00 0.00 O ATOM 0 H TYR A 75 3.111 -8.547 1.927 1.00 0.00 H new ATOM 0 HA TYR A 75 5.917 -8.845 2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.576 -9.087 0.010 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.213 -7.373 0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.056 -9.805 -0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.809 -5.755 -0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.388 -9.203 -0.630 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.138 -5.166 -1.419 1.00 0.00 H new ATOM 0 HH TYR A 75 10.225 -5.848 -1.627 1.00 0.00 H new ATOM 546 N MET A 76 4.887 -5.666 2.245 1.00 0.00 N ATOM 547 CA MET A 76 5.290 -4.357 2.759 1.00 0.00 C ATOM 548 C MET A 76 5.764 -4.384 4.224 1.00 0.00 C ATOM 549 O MET A 76 6.580 -3.565 4.632 1.00 0.00 O ATOM 550 CB MET A 76 4.109 -3.398 2.639 1.00 0.00 C ATOM 551 CG MET A 76 3.906 -2.900 1.212 1.00 0.00 C ATOM 552 SD MET A 76 2.591 -1.671 1.017 1.00 0.00 S ATOM 553 CE MET A 76 1.139 -2.707 1.226 1.00 0.00 C ATOM 0 H MET A 76 3.970 -5.677 1.799 1.00 0.00 H new ATOM 0 HA MET A 76 6.141 -4.031 2.161 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.202 -3.899 2.978 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.269 -2.545 3.299 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.842 -2.470 0.856 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.684 -3.754 0.572 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.352 -2.370 0.552 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.394 -3.742 0.997 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.789 -2.639 2.256 1.00 0.00 H new ATOM 554 N SER A 77 5.252 -5.297 5.041 1.00 0.00 N ATOM 555 CA SER A 77 5.644 -5.387 6.442 1.00 0.00 C ATOM 556 C SER A 77 7.059 -5.937 6.615 1.00 0.00 C ATOM 557 O SER A 77 7.639 -5.727 7.678 1.00 0.00 O ATOM 558 CB SER A 77 4.653 -6.245 7.219 1.00 0.00 C ATOM 559 OG SER A 77 4.836 -6.050 8.613 1.00 0.00 O ATOM 0 H SER A 77 4.560 -5.990 4.755 1.00 0.00 H new ATOM 0 HA SER A 77 5.636 -4.372 6.840 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.633 -5.984 6.937 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.794 -7.296 6.968 1.00 0.00 H new ATOM 0 HG SER A 77 5.768 -5.804 8.789 1.00 0.00 H new ATOM 560 N LYS A 78 7.584 -6.688 5.638 1.00 0.00 N ATOM 561 CA LYS A 78 8.940 -7.229 5.678 1.00 0.00 C ATOM 562 C LYS A 78 9.803 -6.514 4.626 1.00 0.00 C ATOM 563 O LYS A 78 10.760 -7.079 4.101 1.00 0.00 O ATOM 564 CB LYS A 78 8.871 -8.756 5.514 1.00 0.00 C ATOM 565 CG LYS A 78 8.470 -9.254 4.117 1.00 0.00 C ATOM 566 CD LYS A 78 8.243 -10.772 4.094 1.00 0.00 C ATOM 567 CE LYS A 78 6.844 -11.125 4.617 1.00 0.00 C ATOM 568 NZ LYS A 78 6.596 -12.576 4.595 1.00 0.00 N ATOM 0 H LYS A 78 7.071 -6.937 4.792 1.00 0.00 H new ATOM 0 HA LYS A 78 9.423 -7.044 6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.846 -9.175 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.159 -9.150 6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.560 -8.746 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.249 -8.992 3.401 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.360 -11.146 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.999 -11.266 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.734 -10.754 5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.092 -10.620 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.631 -12.758 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.280 -13.036 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.702 -12.961 5.555 1.00 0.00 H new ATOM 569 N LEU A 79 9.423 -5.272 4.322 1.00 0.00 N ATOM 570 CA LEU A 79 10.046 -4.376 3.368 1.00 0.00 C ATOM 571 C LEU A 79 11.313 -3.749 3.943 1.00 0.00 C ATOM 572 O LEU A 79 12.259 -3.538 3.154 1.00 0.00 O ATOM 573 CB LEU A 79 8.983 -3.320 3.080 1.00 0.00 C ATOM 574 CG LEU A 79 9.175 -2.358 1.917 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.375 -3.134 0.636 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.880 -1.562 1.736 1.00 0.00 C ATOM 577 OXT LEU A 79 11.299 -3.428 5.152 1.00 0.00 O ATOM 0 H LEU A 79 8.614 -4.843 4.772 1.00 0.00 H new ATOM 0 HA LEU A 79 10.363 -4.894 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.040 -3.842 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.866 -2.721 3.983 1.00 0.00 H new ATOM 0 HG LEU A 79 10.033 -1.718 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.512 -2.439 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.257 -3.767 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.500 -3.756 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.995 -0.865 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.059 -2.247 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.663 -1.007 2.649 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.726 3.976 -2.016 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.343 5.223 1.109 1.00 5.52 C HETATM 581 CHB HEM A 80 0.223 0.822 -0.775 1.00 7.91 C HETATM 582 CHC HEM A 80 0.502 2.773 -5.208 1.00 6.02 C HETATM 583 CHD HEM A 80 1.288 7.157 -3.211 1.00 10.53 C HETATM 584 NA HEM A 80 0.439 3.178 -0.188 1.00 6.22 N HETATM 585 C1A HEM A 80 0.308 3.856 0.999 1.00 6.23 C HETATM 586 C2A HEM A 80 0.147 2.949 2.105 1.00 8.27 C HETATM 587 C3A HEM A 80 0.056 1.711 1.566 1.00 7.07 C HETATM 588 C4A HEM A 80 0.262 1.855 0.143 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.188 0.414 2.278 1.00 7.00 C HETATM 590 CAA HEM A 80 0.132 3.329 3.565 1.00 7.29 C HETATM 591 CBA HEM A 80 -1.225 3.708 4.163 1.00 11.15 C HETATM 592 CGA HEM A 80 -1.427 5.210 4.326 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.882 5.845 3.384 1.00 18.65 O HETATM 594 O2A HEM A 80 -1.197 5.720 5.419 1.00 17.21 O HETATM 595 NB HEM A 80 0.376 2.182 -2.828 1.00 4.54 N HETATM 596 C1B HEM A 80 0.160 0.996 -2.153 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.188 -0.044 -3.076 1.00 5.88 C HETATM 598 C3B HEM A 80 0.045 0.441 -4.323 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.316 1.861 -4.171 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.637 -1.417 -2.668 1.00 4.31 C HETATM 601 CAB HEM A 80 0.090 -0.347 -5.614 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.156 -1.154 -5.985 1.00 6.48 C HETATM 603 NC HEM A 80 0.905 4.794 -3.842 1.00 3.58 N HETATM 604 C1C HEM A 80 0.764 4.136 -5.052 1.00 4.45 C HETATM 605 C2C HEM A 80 0.988 5.054 -6.143 1.00 5.77 C HETATM 606 C3C HEM A 80 1.355 6.247 -5.596 1.00 8.44 C HETATM 607 C4C HEM A 80 1.190 6.118 -4.152 1.00 11.13 C HETATM 608 CMC HEM A 80 0.905 4.669 -7.598 1.00 8.62 C HETATM 609 CAC HEM A 80 1.874 7.473 -6.319 1.00 3.39 C HETATM 610 CBC HEM A 80 0.786 8.313 -6.997 1.00 10.94 C HETATM 611 ND HEM A 80 0.865 5.803 -1.214 1.00 4.28 N HETATM 612 C1D HEM A 80 1.122 7.013 -1.828 1.00 5.02 C HETATM 613 C2D HEM A 80 1.206 8.066 -0.807 1.00 3.97 C HETATM 614 C3D HEM A 80 0.983 7.466 0.398 1.00 5.11 C HETATM 615 C4D HEM A 80 0.697 6.103 0.116 1.00 9.05 C HETATM 616 CMD HEM A 80 1.515 9.517 -1.056 1.00 5.28 C HETATM 617 CAD HEM A 80 1.001 7.994 1.825 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.350 8.526 2.305 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.701 9.850 1.660 1.00 6.46 C HETATM 620 O1D HEM A 80 -1.295 9.829 0.587 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.430 10.885 2.263 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.700 -0.278 1.609 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.806 0.593 3.158 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.765 -0.017 2.586 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.314 -1.817 -3.422 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.153 -1.361 -1.710 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 0.230 -2.071 -2.575 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.585 5.530 -8.185 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.186 3.859 -7.720 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.885 4.339 -7.943 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 2.161 9.607 -1.929 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 2.021 9.936 -0.186 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.587 10.061 -1.233 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.173 -1.738 -6.905 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.027 -1.145 -5.329 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.056 9.216 -7.544 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.258 8.007 -6.932 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.329 3.229 5.137 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -2.016 3.311 3.526 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 0.812 4.169 3.705 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.535 2.494 4.138 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.328 8.645 3.388 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.128 7.796 2.080 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.741 8.791 1.898 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.325 7.196 2.493 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.067 5.646 2.064 1.00 5.52 H new HETATM 0 HHB HEM A 80 0.243 -0.189 -0.396 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.438 2.394 -6.217 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.509 8.146 -3.584 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.973 -0.340 -6.253 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.931 7.735 -6.354 1.00 3.39 H new