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+ -108:sc= 1.73 (180deg=0.408) USER MOD Set 1.2: A 64 TYR OH : rot 30:sc= 0.255 USER MOD Set 2.1: A 38 TYR OH : rot 4:sc= 1.87 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -162:sc= 0.696 (180deg=-0.268) USER MOD Set 3.1: A 41 MET CE :methyl -149:sc= -2.18 (180deg=-3.27) USER MOD Set 3.2: A 76 MET CE :methyl -151:sc= -0.948 (180deg=-2.01) USER MOD Set 3.3: A 80 HEM CMA :methyl -30:sc= -2.07 (180deg=-3.93!) USER MOD Set 4.1: A 40 LYS NZ :NH3+ -178:sc= 0.639 (180deg=0.0621) USER MOD Set 4.2: A 49 TYR OH : rot -141:sc= 1.5 USER MOD Single : A 1 ALA N :NH3+ -146:sc= 0.212 (180deg=0.00028) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0579) USER MOD Single : A 9 SER OG : rot 90:sc= 1.03 USER MOD Single : A 19 SER OG : rot -146:sc= 1.41 USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= 0.732 (180deg=0.455) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 80:sc= 0.86 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0.534 (180deg=0.468) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0.685 (180deg=0.666) USER MOD Single : A 32 GLN : amide:sc= 0.363 K(o=0.36,f=-3.9!) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.241 (180deg=-1) USER MOD Single : A 44 TYR OH : rot 146:sc= 1.19 USER MOD Single : A 48 SER OG : rot -52:sc= 0.595 USER MOD Single : A 54 LYS NZ :NH3+ 133:sc= 0.758 (180deg=0.0335) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 168:sc= -2.88 (180deg=-3.46) USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -177:sc= 0.591 (180deg=0.559) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -27:sc= 0.24 USER MOD Single : A 78 LYS NZ :NH3+ 138:sc= 0.0183 (180deg=0) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -2.97 (180deg=-2.97) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.502 (180deg=-0.502) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.149 (180deg=-3.95!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.658 -14.447 -5.156 1.00 0.00 N ATOM 2 CA ALA A 1 4.257 -14.738 -5.508 1.00 0.00 C ATOM 3 C ALA A 1 3.437 -13.532 -5.066 1.00 0.00 C ATOM 4 O ALA A 1 4.024 -12.454 -4.976 1.00 0.00 O ATOM 5 CB ALA A 1 3.793 -16.046 -4.855 1.00 0.00 C ATOM 0 H1 ALA A 1 6.289 -14.866 -5.868 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.802 -13.417 -5.128 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.873 -14.852 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 1 4.133 -14.891 -6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.756 -16.241 -5.128 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.420 -16.868 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.873 -15.960 -3.771 1.00 0.00 H new ATOM 6 N ASP A 2 2.133 -13.674 -4.819 1.00 0.00 N ATOM 7 CA ASP A 2 1.325 -12.571 -4.321 1.00 0.00 C ATOM 8 C ASP A 2 1.973 -12.101 -3.015 1.00 0.00 C ATOM 9 O ASP A 2 2.513 -12.924 -2.279 1.00 0.00 O ATOM 10 CB ASP A 2 -0.116 -13.030 -4.153 1.00 0.00 C ATOM 11 CG ASP A 2 -0.238 -14.144 -3.121 1.00 0.00 C ATOM 12 OD1 ASP A 2 0.228 -15.257 -3.454 1.00 0.00 O ATOM 13 OD2 ASP A 2 -0.774 -13.858 -2.030 1.00 0.00 O ATOM 0 H ASP A 2 1.619 -14.544 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 2 1.290 -11.730 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.734 -12.185 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.501 -13.379 -5.111 1.00 0.00 H new ATOM 14 N GLY A 3 1.953 -10.794 -2.732 1.00 0.00 N ATOM 15 CA GLY A 3 2.689 -10.260 -1.616 1.00 0.00 C ATOM 16 C GLY A 3 4.096 -10.243 -2.196 1.00 0.00 C ATOM 17 O GLY A 3 4.894 -11.155 -2.005 1.00 0.00 O ATOM 0 H GLY A 3 1.432 -10.100 -3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.346 -9.266 -1.331 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.613 -10.890 -0.730 1.00 0.00 H new ATOM 18 N ALA A 4 4.301 -9.182 -2.977 1.00 0.00 N ATOM 19 CA ALA A 4 5.434 -8.835 -3.817 1.00 0.00 C ATOM 20 C ALA A 4 4.928 -8.752 -5.254 1.00 0.00 C ATOM 21 O ALA A 4 5.320 -7.837 -5.974 1.00 0.00 O ATOM 22 CB ALA A 4 6.587 -9.849 -3.770 1.00 0.00 C ATOM 0 H ALA A 4 3.583 -8.460 -3.038 1.00 0.00 H new ATOM 0 HA ALA A 4 5.837 -7.893 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.392 -9.515 -4.425 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.959 -9.929 -2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.229 -10.823 -4.103 1.00 0.00 H new ATOM 23 N ALA A 5 4.010 -9.643 -5.676 1.00 0.00 N ATOM 24 CA ALA A 5 3.589 -9.604 -7.068 1.00 0.00 C ATOM 25 C ALA A 5 2.511 -8.559 -7.258 1.00 0.00 C ATOM 26 O ALA A 5 2.327 -8.088 -8.376 1.00 0.00 O ATOM 27 CB ALA A 5 3.097 -10.975 -7.537 1.00 0.00 C ATOM 0 H ALA A 5 3.571 -10.360 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 5 4.452 -9.335 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.789 -10.914 -8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.902 -11.704 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.249 -11.286 -6.927 1.00 0.00 H new ATOM 28 N LEU A 6 1.796 -8.176 -6.193 1.00 0.00 N ATOM 29 CA LEU A 6 0.758 -7.203 -6.351 1.00 0.00 C ATOM 30 C LEU A 6 1.426 -5.840 -6.165 1.00 0.00 C ATOM 31 O LEU A 6 1.176 -4.915 -6.939 1.00 0.00 O ATOM 32 CB LEU A 6 -0.298 -7.585 -5.319 1.00 0.00 C ATOM 33 CG LEU A 6 -1.136 -8.808 -5.721 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.694 -9.457 -4.450 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.294 -8.413 -6.643 1.00 0.00 C ATOM 0 H LEU A 6 1.927 -8.526 -5.244 1.00 0.00 H new ATOM 0 HA LEU A 6 0.258 -7.162 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.193 -7.788 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.963 -6.736 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.499 -9.507 -6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.292 -10.328 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.870 -9.767 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.318 -8.738 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.867 -9.301 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.942 -7.703 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.898 -7.953 -7.548 1.00 0.00 H new ATOM 36 N TYR A 7 2.355 -5.745 -5.196 1.00 0.00 N ATOM 37 CA TYR A 7 3.031 -4.496 -4.907 1.00 0.00 C ATOM 38 C TYR A 7 3.900 -3.985 -6.053 1.00 0.00 C ATOM 39 O TYR A 7 4.184 -2.790 -6.115 1.00 0.00 O ATOM 40 CB TYR A 7 3.843 -4.618 -3.611 1.00 0.00 C ATOM 41 CG TYR A 7 3.930 -3.297 -2.876 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.743 -2.601 -2.601 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.157 -2.760 -2.448 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.785 -1.315 -2.063 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.180 -1.522 -1.783 1.00 0.00 C ATOM 46 CZ TYR A 7 4.017 -0.736 -1.735 1.00 0.00 C ATOM 47 OH TYR A 7 4.066 0.540 -1.271 1.00 0.00 O ATOM 0 H TYR A 7 2.645 -6.526 -4.608 1.00 0.00 H new ATOM 0 HA TYR A 7 2.250 -3.747 -4.777 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.384 -5.365 -2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.848 -4.972 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.790 -3.065 -2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.077 -3.296 -2.629 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.869 -0.767 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.088 -1.177 -1.311 1.00 0.00 H new ATOM 0 HH TYR A 7 4.997 0.787 -1.091 1.00 0.00 H new ATOM 48 N LYS A 8 4.329 -4.857 -6.967 1.00 0.00 N ATOM 49 CA LYS A 8 5.138 -4.438 -8.105 1.00 0.00 C ATOM 50 C LYS A 8 4.458 -3.268 -8.839 1.00 0.00 C ATOM 51 O LYS A 8 5.126 -2.349 -9.307 1.00 0.00 O ATOM 52 CB LYS A 8 5.346 -5.644 -9.035 1.00 0.00 C ATOM 53 CG LYS A 8 6.648 -5.542 -9.838 1.00 0.00 C ATOM 54 CD LYS A 8 7.853 -5.928 -8.964 1.00 0.00 C ATOM 55 CE LYS A 8 9.179 -5.762 -9.715 1.00 0.00 C ATOM 56 NZ LYS A 8 9.268 -6.652 -10.886 1.00 0.00 N ATOM 0 H LYS A 8 4.128 -5.857 -6.938 1.00 0.00 H new ATOM 0 HA LYS A 8 6.112 -4.085 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.358 -6.559 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.503 -5.720 -9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.598 -6.197 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.773 -4.526 -10.211 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.864 -5.309 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.748 -6.962 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.285 -4.726 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.007 -5.971 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.223 -6.594 -11.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.075 -7.631 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.569 -6.360 -11.598 1.00 0.00 H new ATOM 57 N SER A 9 3.122 -3.263 -8.870 1.00 0.00 N ATOM 58 CA SER A 9 2.289 -2.240 -9.492 1.00 0.00 C ATOM 59 C SER A 9 2.234 -0.929 -8.686 1.00 0.00 C ATOM 60 O SER A 9 1.437 -0.052 -9.009 1.00 0.00 O ATOM 61 CB SER A 9 0.857 -2.800 -9.582 1.00 0.00 C ATOM 62 OG SER A 9 0.837 -4.218 -9.620 1.00 0.00 O ATOM 0 H SER A 9 2.571 -4.007 -8.442 1.00 0.00 H new ATOM 0 HA SER A 9 2.720 -2.007 -10.466 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.279 -2.453 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.371 -2.408 -10.475 1.00 0.00 H new ATOM 0 HG SER A 9 0.791 -4.569 -8.706 1.00 0.00 H new ATOM 63 N CYS A 10 3.046 -0.802 -7.634 1.00 0.00 N ATOM 64 CA CYS A 10 3.072 0.288 -6.671 1.00 0.00 C ATOM 65 C CYS A 10 4.491 0.820 -6.525 1.00 0.00 C ATOM 66 O CYS A 10 4.703 2.028 -6.379 1.00 0.00 O ATOM 67 CB CYS A 10 2.573 -0.287 -5.340 1.00 0.00 C ATOM 68 SG CYS A 10 1.163 -1.439 -5.474 1.00 0.00 S ATOM 0 H CYS A 10 3.749 -1.510 -7.423 1.00 0.00 H new ATOM 0 HA CYS A 10 2.442 1.117 -6.994 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.400 -0.804 -4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.286 0.539 -4.690 1.00 0.00 H new ATOM 69 N ILE A 11 5.457 -0.108 -6.575 1.00 0.00 N ATOM 70 CA ILE A 11 6.893 0.136 -6.525 1.00 0.00 C ATOM 71 C ILE A 11 7.260 1.367 -7.370 1.00 0.00 C ATOM 72 O ILE A 11 8.151 2.121 -6.995 1.00 0.00 O ATOM 73 CB ILE A 11 7.607 -1.142 -7.018 1.00 0.00 C ATOM 74 CG1 ILE A 11 7.538 -2.301 -6.002 1.00 0.00 C ATOM 75 CG2 ILE A 11 9.069 -0.871 -7.367 1.00 0.00 C ATOM 76 CD1 ILE A 11 8.237 -2.082 -4.658 1.00 0.00 C ATOM 0 H ILE A 11 5.238 -1.101 -6.656 1.00 0.00 H new ATOM 0 HA ILE A 11 7.214 0.355 -5.507 1.00 0.00 H new ATOM 0 HB ILE A 11 7.068 -1.446 -7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.488 -2.520 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.968 -3.188 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.538 -1.793 -7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.122 -0.122 -8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.592 -0.504 -6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.115 -2.969 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.298 -1.899 -4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.796 -1.222 -4.154 1.00 0.00 H new ATOM 77 N GLY A 12 6.581 1.583 -8.502 1.00 0.00 N ATOM 78 CA GLY A 12 6.809 2.735 -9.366 1.00 0.00 C ATOM 79 C GLY A 12 6.854 4.062 -8.592 1.00 0.00 C ATOM 80 O GLY A 12 7.719 4.892 -8.858 1.00 0.00 O ATOM 0 H GLY A 12 5.853 0.955 -8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.748 2.601 -9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.019 2.783 -10.115 1.00 0.00 H new ATOM 81 N CYS A 13 5.927 4.272 -7.648 1.00 0.00 N ATOM 82 CA CYS A 13 5.879 5.492 -6.838 1.00 0.00 C ATOM 83 C CYS A 13 6.653 5.299 -5.536 1.00 0.00 C ATOM 84 O CYS A 13 7.397 6.178 -5.109 1.00 0.00 O ATOM 85 CB CYS A 13 4.436 5.863 -6.457 1.00 0.00 C ATOM 86 SG CYS A 13 3.471 6.845 -7.636 1.00 0.00 S ATOM 0 H CYS A 13 5.191 3.601 -7.426 1.00 0.00 H new ATOM 0 HA CYS A 13 6.319 6.285 -7.443 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.892 4.938 -6.269 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.469 6.410 -5.515 1.00 0.00 H new ATOM 87 N HIS A 14 6.437 4.155 -4.887 1.00 0.00 N ATOM 88 CA HIS A 14 6.970 3.777 -3.610 1.00 0.00 C ATOM 89 C HIS A 14 8.467 3.452 -3.588 1.00 0.00 C ATOM 90 O HIS A 14 9.076 3.407 -2.518 1.00 0.00 O ATOM 91 CB HIS A 14 6.083 2.594 -3.240 1.00 0.00 C ATOM 92 CG HIS A 14 4.799 3.050 -2.610 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.764 3.630 -1.353 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.504 3.078 -3.065 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.507 4.048 -1.149 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.672 3.653 -2.112 1.00 0.00 N ATOM 0 H HIS A 14 5.841 3.427 -5.281 1.00 0.00 H new ATOM 0 HA HIS A 14 6.943 4.598 -2.893 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.864 2.008 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.616 1.939 -2.551 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.547 3.722 -0.705 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.179 2.707 -4.026 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.203 4.640 -0.298 1.00 0.00 H new ATOM 97 N GLY A 15 9.090 3.258 -4.745 1.00 0.00 N ATOM 98 CA GLY A 15 10.499 2.933 -4.827 1.00 0.00 C ATOM 99 C GLY A 15 10.710 1.433 -4.637 1.00 0.00 C ATOM 100 O GLY A 15 9.866 0.736 -4.070 1.00 0.00 O ATOM 0 H GLY A 15 8.626 3.323 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.895 3.243 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.051 3.484 -4.065 1.00 0.00 H new ATOM 101 N ALA A 16 11.880 0.963 -5.083 1.00 0.00 N ATOM 102 CA ALA A 16 12.353 -0.421 -5.085 1.00 0.00 C ATOM 103 C ALA A 16 12.080 -1.236 -3.814 1.00 0.00 C ATOM 104 O ALA A 16 12.152 -2.461 -3.871 1.00 0.00 O ATOM 105 CB ALA A 16 13.862 -0.404 -5.351 1.00 0.00 C ATOM 0 H ALA A 16 12.575 1.593 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 16 11.780 -0.926 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.242 -1.426 -5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.056 0.062 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.363 0.164 -4.567 1.00 0.00 H new ATOM 106 N ASP A 17 11.798 -0.600 -2.674 1.00 0.00 N ATOM 107 CA ASP A 17 11.525 -1.263 -1.426 1.00 0.00 C ATOM 108 C ASP A 17 10.634 -0.379 -0.552 1.00 0.00 C ATOM 109 O ASP A 17 10.845 -0.299 0.651 1.00 0.00 O ATOM 110 CB ASP A 17 12.839 -1.652 -0.721 1.00 0.00 C ATOM 111 CG ASP A 17 13.683 -0.449 -0.294 1.00 0.00 C ATOM 112 OD1 ASP A 17 14.106 0.308 -1.197 1.00 0.00 O ATOM 113 OD2 ASP A 17 13.902 -0.295 0.926 1.00 0.00 O ATOM 0 H ASP A 17 11.756 0.417 -2.607 1.00 0.00 H new ATOM 0 HA ASP A 17 10.983 -2.189 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.606 -2.253 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.428 -2.280 -1.389 1.00 0.00 H new ATOM 114 N GLY A 18 9.637 0.290 -1.150 1.00 0.00 N ATOM 115 CA GLY A 18 8.710 1.155 -0.416 1.00 0.00 C ATOM 116 C GLY A 18 9.422 2.209 0.430 1.00 0.00 C ATOM 117 O GLY A 18 8.903 2.645 1.459 1.00 0.00 O ATOM 0 H GLY A 18 9.454 0.245 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.047 1.652 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.083 0.541 0.230 1.00 0.00 H new ATOM 118 N SER A 19 10.604 2.617 -0.025 1.00 0.00 N ATOM 119 CA SER A 19 11.503 3.563 0.592 1.00 0.00 C ATOM 120 C SER A 19 11.236 4.991 0.122 1.00 0.00 C ATOM 121 O SER A 19 11.415 5.934 0.891 1.00 0.00 O ATOM 122 CB SER A 19 12.909 3.108 0.192 1.00 0.00 C ATOM 123 OG SER A 19 12.890 2.681 -1.165 1.00 0.00 O ATOM 0 H SER A 19 10.979 2.261 -0.904 1.00 0.00 H new ATOM 0 HA SER A 19 11.372 3.582 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.619 3.925 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.239 2.294 0.838 1.00 0.00 H new ATOM 0 HG SER A 19 13.523 1.942 -1.284 1.00 0.00 H new ATOM 124 N LYS A 20 10.835 5.166 -1.139 1.00 0.00 N ATOM 125 CA LYS A 20 10.573 6.489 -1.674 1.00 0.00 C ATOM 126 C LYS A 20 9.262 6.999 -1.090 1.00 0.00 C ATOM 127 O LYS A 20 8.224 6.343 -1.190 1.00 0.00 O ATOM 128 CB LYS A 20 10.541 6.446 -3.211 1.00 0.00 C ATOM 129 CG LYS A 20 10.002 7.713 -3.894 1.00 0.00 C ATOM 130 CD LYS A 20 10.812 8.976 -3.566 1.00 0.00 C ATOM 131 CE LYS A 20 10.321 10.185 -4.373 1.00 0.00 C ATOM 132 NZ LYS A 20 8.895 10.477 -4.133 1.00 0.00 N ATOM 0 H LYS A 20 10.687 4.405 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 20 11.370 7.177 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.552 6.260 -3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.930 5.598 -3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.000 7.562 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.966 7.866 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.734 9.193 -2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.866 8.799 -3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.917 11.059 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.477 9.998 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.683 11.448 -4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.308 9.808 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.687 10.382 -3.118 1.00 0.00 H new ATOM 133 N ALA A 21 9.321 8.180 -0.469 1.00 0.00 N ATOM 134 CA ALA A 21 8.157 8.845 0.078 1.00 0.00 C ATOM 135 C ALA A 21 7.320 9.283 -1.122 1.00 0.00 C ATOM 136 O ALA A 21 7.470 10.394 -1.624 1.00 0.00 O ATOM 137 CB ALA A 21 8.609 10.023 0.949 1.00 0.00 C ATOM 0 H ALA A 21 10.190 8.698 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 21 7.561 8.200 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.735 10.526 1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.235 9.655 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.179 10.726 0.342 1.00 0.00 H new ATOM 138 N ALA A 22 6.486 8.366 -1.614 1.00 0.00 N ATOM 139 CA ALA A 22 5.657 8.529 -2.793 1.00 0.00 C ATOM 140 C ALA A 22 4.997 9.903 -2.910 1.00 0.00 C ATOM 141 O ALA A 22 4.394 10.375 -1.950 1.00 0.00 O ATOM 142 CB ALA A 22 4.610 7.415 -2.837 1.00 0.00 C ATOM 0 H ALA A 22 6.370 7.452 -1.177 1.00 0.00 H new ATOM 0 HA ALA A 22 6.321 8.458 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.986 7.537 -3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.110 6.447 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.986 7.466 -1.944 1.00 0.00 H new ATOM 143 N MET A 23 5.120 10.485 -4.113 1.00 0.00 N ATOM 144 CA MET A 23 4.623 11.764 -4.619 1.00 0.00 C ATOM 145 C MET A 23 4.299 12.812 -3.550 1.00 0.00 C ATOM 146 O MET A 23 5.073 13.745 -3.359 1.00 0.00 O ATOM 147 CB MET A 23 3.414 11.497 -5.529 1.00 0.00 C ATOM 148 CG MET A 23 3.780 10.630 -6.741 1.00 0.00 C ATOM 149 SD MET A 23 5.080 11.277 -7.823 1.00 0.00 S ATOM 150 CE MET A 23 5.224 9.903 -8.986 1.00 0.00 C ATOM 0 H MET A 23 5.640 10.001 -4.845 1.00 0.00 H new ATOM 0 HA MET A 23 5.441 12.216 -5.180 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.631 11.002 -4.954 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.005 12.446 -5.874 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.091 9.650 -6.380 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.881 10.479 -7.338 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.987 10.134 -9.729 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.504 8.998 -8.447 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.268 9.747 -9.485 1.00 0.00 H new ATOM 151 N GLY A 24 3.142 12.694 -2.891 1.00 0.00 N ATOM 152 CA GLY A 24 2.714 13.624 -1.853 1.00 0.00 C ATOM 153 C GLY A 24 3.783 13.817 -0.775 1.00 0.00 C ATOM 154 O GLY A 24 3.914 14.908 -0.226 1.00 0.00 O ATOM 0 H GLY A 24 2.474 11.943 -3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.478 14.587 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.798 13.255 -1.392 1.00 0.00 H new ATOM 155 N SER A 25 4.530 12.741 -0.510 1.00 0.00 N ATOM 156 CA SER A 25 5.625 12.523 0.427 1.00 0.00 C ATOM 157 C SER A 25 5.171 11.422 1.382 1.00 0.00 C ATOM 158 O SER A 25 5.095 11.657 2.586 1.00 0.00 O ATOM 159 CB SER A 25 6.052 13.782 1.201 1.00 0.00 C ATOM 160 OG SER A 25 6.523 14.780 0.319 1.00 0.00 O ATOM 0 H SER A 25 4.348 11.881 -1.027 1.00 0.00 H new ATOM 0 HA SER A 25 6.515 12.238 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.208 14.166 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.833 13.526 1.917 1.00 0.00 H new ATOM 0 HG SER A 25 5.761 15.240 -0.091 1.00 0.00 H new ATOM 161 N ALA A 26 4.860 10.221 0.868 1.00 0.00 N ATOM 162 CA ALA A 26 4.389 9.166 1.737 1.00 0.00 C ATOM 163 C ALA A 26 5.333 8.833 2.884 1.00 0.00 C ATOM 164 O ALA A 26 6.550 8.827 2.731 1.00 0.00 O ATOM 165 CB ALA A 26 4.168 7.896 0.916 1.00 0.00 C ATOM 0 H ALA A 26 4.928 9.974 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 26 3.465 9.535 2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.813 7.098 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.426 8.088 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.107 7.594 0.452 1.00 0.00 H new ATOM 166 N LYS A 27 4.751 8.534 4.043 1.00 0.00 N ATOM 167 CA LYS A 27 5.506 8.074 5.192 1.00 0.00 C ATOM 168 C LYS A 27 6.101 6.751 4.694 1.00 0.00 C ATOM 169 O LYS A 27 5.301 5.907 4.291 1.00 0.00 O ATOM 170 CB LYS A 27 4.551 7.845 6.372 1.00 0.00 C ATOM 171 CG LYS A 27 3.786 9.121 6.761 1.00 0.00 C ATOM 172 CD LYS A 27 2.660 8.848 7.772 1.00 0.00 C ATOM 173 CE LYS A 27 1.612 7.826 7.295 1.00 0.00 C ATOM 174 NZ LYS A 27 1.117 8.110 5.934 1.00 0.00 N ATOM 0 H LYS A 27 3.747 8.605 4.206 1.00 0.00 H new ATOM 0 HA LYS A 27 6.266 8.773 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.838 7.062 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.118 7.488 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.483 9.844 7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.363 9.574 5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.102 8.490 8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.156 9.788 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.048 6.827 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.772 7.823 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.506 7.330 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.572 8.996 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.923 8.204 5.284 1.00 0.00 H new ATOM 175 N PRO A 28 7.433 6.569 4.639 1.00 0.00 N ATOM 176 CA PRO A 28 8.073 5.364 4.124 1.00 0.00 C ATOM 177 C PRO A 28 7.271 4.092 4.402 1.00 0.00 C ATOM 178 O PRO A 28 7.196 3.649 5.545 1.00 0.00 O ATOM 179 CB PRO A 28 9.459 5.348 4.769 1.00 0.00 C ATOM 180 CG PRO A 28 9.792 6.839 4.817 1.00 0.00 C ATOM 181 CD PRO A 28 8.443 7.489 5.139 1.00 0.00 C ATOM 0 HA PRO A 28 8.137 5.382 3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.444 4.899 5.762 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.181 4.786 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.538 7.061 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.193 7.193 3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.331 7.648 6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.355 8.465 4.661 1.00 0.00 H new ATOM 182 N VAL A 29 6.639 3.532 3.360 1.00 0.00 N ATOM 183 CA VAL A 29 5.835 2.321 3.474 1.00 0.00 C ATOM 184 C VAL A 29 6.714 1.222 4.102 1.00 0.00 C ATOM 185 O VAL A 29 6.216 0.375 4.839 1.00 0.00 O ATOM 186 CB VAL A 29 5.247 1.948 2.100 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.963 0.455 1.991 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.901 2.658 1.882 1.00 0.00 C ATOM 0 H VAL A 29 6.676 3.913 2.414 1.00 0.00 H new ATOM 0 HA VAL A 29 4.975 2.466 4.128 1.00 0.00 H new ATOM 0 HB VAL A 29 5.989 2.249 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.549 0.234 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.889 -0.103 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.247 0.164 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.499 2.384 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.201 2.357 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.048 3.737 1.924 1.00 0.00 H new ATOM 189 N LYS A 30 8.013 1.219 3.773 1.00 0.00 N ATOM 190 CA LYS A 30 9.063 0.364 4.303 1.00 0.00 C ATOM 191 C LYS A 30 8.958 0.128 5.807 1.00 0.00 C ATOM 192 O LYS A 30 9.470 0.866 6.645 1.00 0.00 O ATOM 193 CB LYS A 30 10.393 0.994 3.888 1.00 0.00 C ATOM 194 CG LYS A 30 11.699 0.595 4.594 1.00 0.00 C ATOM 195 CD LYS A 30 12.056 -0.890 4.483 1.00 0.00 C ATOM 196 CE LYS A 30 13.400 -1.132 5.180 1.00 0.00 C ATOM 197 NZ LYS A 30 13.783 -2.552 5.134 1.00 0.00 N ATOM 0 H LYS A 30 8.376 1.868 3.075 1.00 0.00 H new ATOM 0 HA LYS A 30 8.969 -0.640 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.527 0.792 2.825 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.285 2.073 3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.516 1.184 4.177 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.622 0.859 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.278 -1.500 4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.116 -1.186 3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.173 -0.530 4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.337 -0.804 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.712 -2.676 5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.074 -3.119 5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.834 -2.866 4.144 1.00 0.00 H new ATOM 198 N GLY A 31 8.270 -0.963 6.104 1.00 0.00 N ATOM 199 CA GLY A 31 8.044 -1.490 7.432 1.00 0.00 C ATOM 200 C GLY A 31 7.037 -0.651 8.197 1.00 0.00 C ATOM 201 O GLY A 31 7.206 -0.449 9.396 1.00 0.00 O ATOM 0 H GLY A 31 7.831 -1.533 5.381 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.685 -2.517 7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.986 -1.518 7.979 1.00 0.00 H new ATOM 202 N GLN A 32 5.980 -0.181 7.519 1.00 0.00 N ATOM 203 CA GLN A 32 4.969 0.629 8.182 1.00 0.00 C ATOM 204 C GLN A 32 4.391 -0.190 9.359 1.00 0.00 C ATOM 205 O GLN A 32 4.256 0.305 10.474 1.00 0.00 O ATOM 206 CB GLN A 32 3.912 1.161 7.187 1.00 0.00 C ATOM 207 CG GLN A 32 4.038 2.675 6.882 1.00 0.00 C ATOM 208 CD GLN A 32 2.988 3.174 5.871 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.912 2.592 5.792 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.256 4.224 5.079 1.00 0.00 N ATOM 0 H GLN A 32 5.811 -0.349 6.527 1.00 0.00 H new ATOM 0 HA GLN A 32 5.412 1.535 8.595 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.995 0.605 6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.918 0.963 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.936 3.237 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.035 2.880 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.154 4.702 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.561 4.544 4.404 1.00 0.00 H new ATOM 211 N GLY A 33 4.078 -1.460 9.083 1.00 0.00 N ATOM 212 CA GLY A 33 3.598 -2.488 10.004 1.00 0.00 C ATOM 213 C GLY A 33 2.501 -3.284 9.309 1.00 0.00 C ATOM 214 O GLY A 33 1.579 -2.662 8.821 1.00 0.00 O ATOM 0 H GLY A 33 4.161 -1.822 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.416 -3.146 10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.214 -2.031 10.916 1.00 0.00 H new ATOM 215 N ALA A 34 2.546 -4.616 9.206 1.00 0.00 N ATOM 216 CA ALA A 34 1.502 -5.369 8.504 1.00 0.00 C ATOM 217 C ALA A 34 0.098 -4.984 8.973 1.00 0.00 C ATOM 218 O ALA A 34 -0.798 -4.787 8.157 1.00 0.00 O ATOM 219 CB ALA A 34 1.726 -6.874 8.681 1.00 0.00 C ATOM 0 H ALA A 34 3.290 -5.193 9.598 1.00 0.00 H new ATOM 0 HA ALA A 34 1.572 -5.114 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.944 -7.422 8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.699 -7.148 8.273 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.694 -7.124 9.741 1.00 0.00 H new ATOM 220 N GLU A 35 -0.083 -4.862 10.289 1.00 0.00 N ATOM 221 CA GLU A 35 -1.352 -4.477 10.884 1.00 0.00 C ATOM 222 C GLU A 35 -1.743 -3.105 10.353 1.00 0.00 C ATOM 223 O GLU A 35 -2.837 -2.882 9.845 1.00 0.00 O ATOM 224 CB GLU A 35 -1.160 -4.403 12.405 1.00 0.00 C ATOM 225 CG GLU A 35 -2.418 -4.827 13.174 1.00 0.00 C ATOM 226 CD GLU A 35 -3.602 -3.902 12.893 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.480 -2.706 13.237 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.598 -4.405 12.330 1.00 0.00 O ATOM 0 H GLU A 35 0.656 -5.030 10.972 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.132 -5.198 10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.327 -5.043 12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.892 -3.384 12.686 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.683 -5.848 12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.206 -4.829 14.243 1.00 0.00 H new ATOM 229 N GLU A 36 -0.785 -2.199 10.515 1.00 0.00 N ATOM 230 CA GLU A 36 -0.859 -0.807 10.110 1.00 0.00 C ATOM 231 C GLU A 36 -1.317 -0.729 8.648 1.00 0.00 C ATOM 232 O GLU A 36 -2.396 -0.227 8.340 1.00 0.00 O ATOM 233 CB GLU A 36 0.532 -0.173 10.366 1.00 0.00 C ATOM 234 CG GLU A 36 0.575 1.354 10.395 1.00 0.00 C ATOM 235 CD GLU A 36 -0.533 1.958 11.252 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.327 2.025 12.483 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.577 2.317 10.666 1.00 0.00 O ATOM 0 H GLU A 36 0.106 -2.430 10.954 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.593 -0.243 10.685 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.910 -0.546 11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.216 -0.522 9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.543 1.679 10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.490 1.735 9.377 1.00 0.00 H new ATOM 238 N LEU A 37 -0.491 -1.267 7.757 1.00 0.00 N ATOM 239 CA LEU A 37 -0.684 -1.358 6.327 1.00 0.00 C ATOM 240 C LEU A 37 -2.051 -1.959 6.010 1.00 0.00 C ATOM 241 O LEU A 37 -2.759 -1.446 5.149 1.00 0.00 O ATOM 242 CB LEU A 37 0.450 -2.222 5.760 1.00 0.00 C ATOM 243 CG LEU A 37 1.805 -1.495 5.824 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.965 -2.495 5.806 1.00 0.00 C ATOM 245 CD2 LEU A 37 1.927 -0.565 4.619 1.00 0.00 C ATOM 0 H LEU A 37 0.396 -1.680 8.045 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.659 -0.368 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.511 -3.156 6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.226 -2.484 4.726 1.00 0.00 H new ATOM 0 HG LEU A 37 1.853 -0.926 6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.911 -1.956 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.885 -3.161 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.926 -3.081 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.884 -0.045 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.866 -1.149 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.117 0.164 4.639 1.00 0.00 H new ATOM 246 N TYR A 38 -2.439 -3.041 6.689 1.00 0.00 N ATOM 247 CA TYR A 38 -3.730 -3.661 6.445 1.00 0.00 C ATOM 248 C TYR A 38 -4.861 -2.712 6.809 1.00 0.00 C ATOM 249 O TYR A 38 -5.779 -2.533 6.018 1.00 0.00 O ATOM 250 CB TYR A 38 -3.856 -4.951 7.247 1.00 0.00 C ATOM 251 CG TYR A 38 -5.201 -5.630 7.063 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.485 -6.325 5.871 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.241 -5.355 7.971 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.797 -6.754 5.598 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.556 -5.756 7.683 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.835 -6.456 6.499 1.00 0.00 C ATOM 257 OH TYR A 38 -9.120 -6.824 6.232 1.00 0.00 O ATOM 0 H TYR A 38 -1.877 -3.499 7.407 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.801 -3.894 5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.064 -5.638 6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.706 -4.732 8.304 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.694 -6.529 5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.027 -4.834 8.892 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.007 -7.312 4.697 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.354 -5.525 8.374 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.146 -7.344 5.402 1.00 0.00 H new ATOM 258 N LYS A 39 -4.817 -2.121 8.004 1.00 0.00 N ATOM 259 CA LYS A 39 -5.844 -1.196 8.454 1.00 0.00 C ATOM 260 C LYS A 39 -5.951 -0.043 7.454 1.00 0.00 C ATOM 261 O LYS A 39 -7.045 0.381 7.077 1.00 0.00 O ATOM 262 CB LYS A 39 -5.463 -0.712 9.859 1.00 0.00 C ATOM 263 CG LYS A 39 -6.531 0.182 10.498 1.00 0.00 C ATOM 264 CD LYS A 39 -6.290 0.402 12.000 1.00 0.00 C ATOM 265 CE LYS A 39 -4.951 1.078 12.333 1.00 0.00 C ATOM 266 NZ LYS A 39 -3.831 0.120 12.408 1.00 0.00 N ATOM 0 H LYS A 39 -4.069 -2.273 8.681 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.822 -1.674 8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.291 -1.577 10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.523 -0.163 9.805 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.545 1.146 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.513 -0.269 10.353 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.101 1.011 12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.334 -0.561 12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.730 1.830 11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.040 1.601 13.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.099 0.491 13.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.177 -0.791 12.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.426 -0.016 11.460 1.00 0.00 H new ATOM 267 N LYS A 40 -4.795 0.438 6.998 1.00 0.00 N ATOM 268 CA LYS A 40 -4.690 1.525 6.054 1.00 0.00 C ATOM 269 C LYS A 40 -5.348 1.135 4.726 1.00 0.00 C ATOM 270 O LYS A 40 -6.206 1.857 4.216 1.00 0.00 O ATOM 271 CB LYS A 40 -3.201 1.836 5.911 1.00 0.00 C ATOM 272 CG LYS A 40 -2.727 2.830 6.982 1.00 0.00 C ATOM 273 CD LYS A 40 -1.209 2.746 7.204 1.00 0.00 C ATOM 274 CE LYS A 40 -0.660 3.963 7.960 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.690 5.189 7.144 1.00 0.00 N ATOM 0 H LYS A 40 -3.890 0.067 7.288 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.215 2.418 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.626 0.913 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.008 2.248 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.995 3.843 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.244 2.628 7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.976 1.839 7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.708 2.664 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.245 4.119 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.365 3.762 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.278 5.976 7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.139 5.041 6.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.674 5.417 6.896 1.00 0.00 H new ATOM 276 N MET A 41 -4.965 -0.012 4.162 1.00 0.00 N ATOM 277 CA MET A 41 -5.534 -0.485 2.918 1.00 0.00 C ATOM 278 C MET A 41 -7.009 -0.790 3.070 1.00 0.00 C ATOM 279 O MET A 41 -7.740 -0.586 2.117 1.00 0.00 O ATOM 280 CB MET A 41 -4.825 -1.739 2.441 1.00 0.00 C ATOM 281 CG MET A 41 -3.504 -1.354 1.790 1.00 0.00 C ATOM 282 SD MET A 41 -2.674 -2.732 0.991 1.00 0.00 S ATOM 283 CE MET A 41 -2.329 -3.661 2.486 1.00 0.00 C ATOM 0 H MET A 41 -4.256 -0.629 4.559 1.00 0.00 H new ATOM 0 HA MET A 41 -5.405 0.311 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.648 -2.412 3.280 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.451 -2.276 1.729 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.685 -0.572 1.053 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.844 -0.932 2.547 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.406 -4.226 2.358 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.221 -2.973 3.325 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.151 -4.349 2.685 1.00 0.00 H new ATOM 284 N LYS A 42 -7.458 -1.316 4.207 1.00 0.00 N ATOM 285 CA LYS A 42 -8.875 -1.566 4.413 1.00 0.00 C ATOM 286 C LYS A 42 -9.568 -0.207 4.286 1.00 0.00 C ATOM 287 O LYS A 42 -10.550 -0.052 3.561 1.00 0.00 O ATOM 288 CB LYS A 42 -9.086 -2.225 5.783 1.00 0.00 C ATOM 289 CG LYS A 42 -10.514 -2.737 6.009 1.00 0.00 C ATOM 290 CD LYS A 42 -10.894 -3.816 4.984 1.00 0.00 C ATOM 291 CE LYS A 42 -12.093 -4.652 5.445 1.00 0.00 C ATOM 292 NZ LYS A 42 -11.755 -5.501 6.602 1.00 0.00 N ATOM 0 H LYS A 42 -6.862 -1.575 4.993 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.296 -2.256 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.391 -3.058 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.840 -1.505 6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.600 -3.144 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.215 -1.905 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.128 -3.343 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.040 -4.471 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.918 -3.990 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.437 -5.279 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.463 -6.257 6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.815 -5.923 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.748 -4.923 7.467 1.00 0.00 H new ATOM 293 N GLY A 43 -8.985 0.794 4.953 1.00 0.00 N ATOM 294 CA GLY A 43 -9.449 2.161 4.918 1.00 0.00 C ATOM 295 C GLY A 43 -9.567 2.657 3.478 1.00 0.00 C ATOM 296 O GLY A 43 -10.647 3.076 3.073 1.00 0.00 O ATOM 0 H GLY A 43 -8.162 0.661 5.540 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.417 2.234 5.413 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.759 2.798 5.472 1.00 0.00 H new ATOM 297 N TYR A 44 -8.485 2.609 2.688 1.00 0.00 N ATOM 298 CA TYR A 44 -8.541 3.088 1.310 1.00 0.00 C ATOM 299 C TYR A 44 -9.464 2.221 0.453 1.00 0.00 C ATOM 300 O TYR A 44 -10.240 2.756 -0.330 1.00 0.00 O ATOM 301 CB TYR A 44 -7.130 3.161 0.707 1.00 0.00 C ATOM 302 CG TYR A 44 -6.248 4.311 1.169 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.770 5.611 1.337 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.857 4.115 1.263 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.930 6.663 1.734 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.008 5.203 1.534 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.548 6.461 1.833 1.00 0.00 C ATOM 308 OH TYR A 44 -3.740 7.468 2.258 1.00 0.00 O ATOM 0 H TYR A 44 -7.576 2.248 2.978 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.960 4.094 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.616 2.226 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.226 3.220 -0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.819 5.797 1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.441 3.128 1.127 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.351 7.631 1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.937 5.069 1.512 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.995 7.094 2.773 1.00 0.00 H new ATOM 309 N ALA A 45 -9.412 0.898 0.604 1.00 0.00 N ATOM 310 CA ALA A 45 -10.240 -0.051 -0.129 1.00 0.00 C ATOM 311 C ALA A 45 -11.706 0.375 0.007 1.00 0.00 C ATOM 312 O ALA A 45 -12.437 0.449 -0.978 1.00 0.00 O ATOM 313 CB ALA A 45 -10.069 -1.470 0.424 1.00 0.00 C ATOM 0 H ALA A 45 -8.773 0.447 1.259 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.936 -0.055 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.698 -2.159 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.026 -1.773 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.362 -1.489 1.474 1.00 0.00 H new ATOM 314 N ASP A 46 -12.111 0.692 1.243 1.00 0.00 N ATOM 315 CA ASP A 46 -13.467 1.112 1.581 1.00 0.00 C ATOM 316 C ASP A 46 -13.662 2.632 1.448 1.00 0.00 C ATOM 317 O ASP A 46 -14.708 3.142 1.842 1.00 0.00 O ATOM 318 CB ASP A 46 -13.781 0.667 3.021 1.00 0.00 C ATOM 319 CG ASP A 46 -13.677 -0.843 3.238 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.924 -1.590 2.266 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.366 -1.229 4.386 1.00 0.00 O ATOM 0 H ASP A 46 -11.488 0.661 2.050 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.152 0.642 0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.097 1.171 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.788 0.993 3.280 1.00 0.00 H new ATOM 322 N GLY A 47 -12.679 3.374 0.924 1.00 0.00 N ATOM 323 CA GLY A 47 -12.740 4.822 0.749 1.00 0.00 C ATOM 324 C GLY A 47 -13.033 5.570 2.053 1.00 0.00 C ATOM 325 O GLY A 47 -13.627 6.645 2.028 1.00 0.00 O ATOM 0 H GLY A 47 -11.799 2.970 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.793 5.173 0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.512 5.062 0.018 1.00 0.00 H new ATOM 326 N SER A 48 -12.583 5.022 3.185 1.00 0.00 N ATOM 327 CA SER A 48 -12.784 5.551 4.524 1.00 0.00 C ATOM 328 C SER A 48 -11.451 5.901 5.196 1.00 0.00 C ATOM 329 O SER A 48 -11.288 5.666 6.393 1.00 0.00 O ATOM 330 CB SER A 48 -13.543 4.482 5.318 1.00 0.00 C ATOM 331 OG SER A 48 -13.911 4.972 6.591 1.00 0.00 O ATOM 0 H SER A 48 -12.044 4.156 3.186 1.00 0.00 H new ATOM 0 HA SER A 48 -13.355 6.479 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.434 4.178 4.768 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.920 3.595 5.431 1.00 0.00 H new ATOM 0 HG SER A 48 -13.123 5.344 7.039 1.00 0.00 H new ATOM 332 N TYR A 49 -10.497 6.454 4.443 1.00 0.00 N ATOM 333 CA TYR A 49 -9.185 6.853 4.939 1.00 0.00 C ATOM 334 C TYR A 49 -8.617 7.873 3.951 1.00 0.00 C ATOM 335 O TYR A 49 -9.080 7.924 2.810 1.00 0.00 O ATOM 336 CB TYR A 49 -8.310 5.603 5.096 1.00 0.00 C ATOM 337 CG TYR A 49 -6.860 5.829 5.474 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.515 6.639 6.573 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.845 5.199 4.733 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.167 6.960 6.809 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.501 5.512 4.977 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.167 6.457 5.960 1.00 0.00 C ATOM 343 OH TYR A 49 -2.866 6.810 6.152 1.00 0.00 O ATOM 0 H TYR A 49 -10.622 6.640 3.448 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.232 7.322 5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.763 4.964 5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.334 5.051 4.157 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.284 7.013 7.233 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.101 4.473 3.975 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.900 7.593 7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.722 5.026 4.409 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.432 6.944 5.284 1.00 0.00 H new ATOM 344 N GLY A 50 -7.653 8.698 4.378 1.00 0.00 N ATOM 345 CA GLY A 50 -7.064 9.737 3.547 1.00 0.00 C ATOM 346 C GLY A 50 -5.545 9.814 3.630 1.00 0.00 C ATOM 347 O GLY A 50 -4.905 9.134 4.428 1.00 0.00 O ATOM 0 H GLY A 50 -7.262 8.657 5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.352 9.565 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.482 10.701 3.838 1.00 0.00 H new ATOM 348 N GLY A 51 -5.010 10.701 2.793 1.00 0.00 N ATOM 349 CA GLY A 51 -3.647 11.042 2.542 1.00 0.00 C ATOM 350 C GLY A 51 -3.621 11.990 1.349 1.00 0.00 C ATOM 351 O GLY A 51 -4.656 12.238 0.728 1.00 0.00 O ATOM 0 H GLY A 51 -5.625 11.263 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.204 11.516 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.061 10.147 2.333 1.00 0.00 H new ATOM 352 N GLU A 52 -2.436 12.500 1.040 1.00 0.00 N ATOM 353 CA GLU A 52 -2.180 13.445 -0.041 1.00 0.00 C ATOM 354 C GLU A 52 -2.709 12.943 -1.388 1.00 0.00 C ATOM 355 O GLU A 52 -3.313 13.710 -2.138 1.00 0.00 O ATOM 356 CB GLU A 52 -0.669 13.700 -0.140 1.00 0.00 C ATOM 357 CG GLU A 52 -0.066 14.304 1.137 1.00 0.00 C ATOM 358 CD GLU A 52 -0.693 15.648 1.492 1.00 0.00 C ATOM 359 OE1 GLU A 52 -0.498 16.591 0.695 1.00 0.00 O ATOM 360 OE2 GLU A 52 -1.364 15.704 2.545 1.00 0.00 O ATOM 0 H GLU A 52 -1.591 12.257 1.557 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.709 14.370 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.163 12.760 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.476 14.371 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.206 13.610 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.009 14.430 1.005 1.00 0.00 H new ATOM 361 N ARG A 53 -2.446 11.674 -1.711 1.00 0.00 N ATOM 362 CA ARG A 53 -2.888 11.037 -2.962 1.00 0.00 C ATOM 363 C ARG A 53 -3.848 9.889 -2.655 1.00 0.00 C ATOM 364 O ARG A 53 -3.856 8.875 -3.357 1.00 0.00 O ATOM 365 CB ARG A 53 -1.717 10.564 -3.861 1.00 0.00 C ATOM 366 CG ARG A 53 -0.555 11.563 -3.990 1.00 0.00 C ATOM 367 CD ARG A 53 -0.963 12.934 -4.541 1.00 0.00 C ATOM 368 NE ARG A 53 -1.812 12.813 -5.736 1.00 0.00 N ATOM 369 CZ ARG A 53 -3.041 13.326 -5.912 1.00 0.00 C ATOM 370 NH1 ARG A 53 -3.689 13.977 -4.936 1.00 0.00 N ATOM 371 NH2 ARG A 53 -3.630 13.168 -7.101 1.00 0.00 N ATOM 0 H ARG A 53 -1.914 11.049 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.411 11.800 -3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.328 9.627 -3.463 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.106 10.351 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.097 11.699 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.207 11.135 -4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.497 13.491 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.069 13.507 -4.787 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.425 12.282 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.249 14.096 -4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.622 14.353 -5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.147 12.668 -7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.563 13.547 -7.262 1.00 0.00 H new ATOM 372 N LYS A 54 -4.716 10.078 -1.653 1.00 0.00 N ATOM 373 CA LYS A 54 -5.676 9.059 -1.249 1.00 0.00 C ATOM 374 C LYS A 54 -6.558 8.589 -2.407 1.00 0.00 C ATOM 375 O LYS A 54 -7.026 7.457 -2.385 1.00 0.00 O ATOM 376 CB LYS A 54 -6.556 9.569 -0.104 1.00 0.00 C ATOM 377 CG LYS A 54 -7.349 10.878 -0.290 1.00 0.00 C ATOM 378 CD LYS A 54 -8.668 10.807 -1.084 1.00 0.00 C ATOM 379 CE LYS A 54 -9.597 9.633 -0.736 1.00 0.00 C ATOM 380 NZ LYS A 54 -9.969 9.615 0.690 1.00 0.00 N ATOM 0 H LYS A 54 -4.768 10.938 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.094 8.202 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.272 8.783 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.917 9.694 0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.573 11.278 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.697 11.598 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.215 11.737 -0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.428 10.753 -2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.500 9.695 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.104 8.695 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.995 9.471 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.468 8.840 1.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.707 10.521 1.129 1.00 0.00 H new ATOM 381 N ALA A 55 -6.819 9.442 -3.404 1.00 0.00 N ATOM 382 CA ALA A 55 -7.659 9.094 -4.545 1.00 0.00 C ATOM 383 C ALA A 55 -6.971 8.011 -5.374 1.00 0.00 C ATOM 384 O ALA A 55 -7.535 6.941 -5.612 1.00 0.00 O ATOM 385 CB ALA A 55 -7.931 10.347 -5.383 1.00 0.00 C ATOM 0 H ALA A 55 -6.451 10.393 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.615 8.702 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.559 10.086 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.441 11.090 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.987 10.758 -5.740 1.00 0.00 H new ATOM 386 N MET A 56 -5.740 8.308 -5.803 1.00 0.00 N ATOM 387 CA MET A 56 -4.917 7.391 -6.575 1.00 0.00 C ATOM 388 C MET A 56 -4.786 6.097 -5.778 1.00 0.00 C ATOM 389 O MET A 56 -5.025 5.009 -6.296 1.00 0.00 O ATOM 390 CB MET A 56 -3.545 8.031 -6.836 1.00 0.00 C ATOM 391 CG MET A 56 -3.646 9.166 -7.862 1.00 0.00 C ATOM 392 SD MET A 56 -2.097 10.057 -8.164 1.00 0.00 S ATOM 393 CE MET A 56 -2.458 10.757 -9.790 1.00 0.00 C ATOM 0 H MET A 56 -5.288 9.204 -5.618 1.00 0.00 H new ATOM 0 HA MET A 56 -5.369 7.173 -7.543 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.138 8.418 -5.902 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.850 7.273 -7.197 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.001 8.753 -8.806 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.398 9.878 -7.522 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.604 11.342 -10.132 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.653 9.951 -10.498 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.335 11.401 -9.722 1.00 0.00 H new ATOM 394 N MET A 57 -4.453 6.237 -4.494 1.00 0.00 N ATOM 395 CA MET A 57 -4.303 5.107 -3.599 1.00 0.00 C ATOM 396 C MET A 57 -5.573 4.255 -3.554 1.00 0.00 C ATOM 397 O MET A 57 -5.519 3.046 -3.765 1.00 0.00 O ATOM 398 CB MET A 57 -3.916 5.631 -2.207 1.00 0.00 C ATOM 399 CG MET A 57 -2.396 5.606 -2.022 1.00 0.00 C ATOM 400 SD MET A 57 -1.643 3.984 -2.301 1.00 0.00 S ATOM 401 CE MET A 57 -2.621 2.909 -1.223 1.00 0.00 C ATOM 0 H MET A 57 -4.281 7.140 -4.053 1.00 0.00 H new ATOM 0 HA MET A 57 -3.512 4.453 -3.967 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.286 6.648 -2.080 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.391 5.021 -1.438 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.946 6.326 -2.706 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.159 5.936 -1.010 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.406 1.866 -1.457 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.365 3.107 -0.182 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.682 3.105 -1.379 1.00 0.00 H new ATOM 402 N THR A 58 -6.722 4.874 -3.289 1.00 0.00 N ATOM 403 CA THR A 58 -7.996 4.176 -3.234 1.00 0.00 C ATOM 404 C THR A 58 -8.198 3.400 -4.529 1.00 0.00 C ATOM 405 O THR A 58 -8.429 2.195 -4.483 1.00 0.00 O ATOM 406 CB THR A 58 -9.128 5.185 -2.979 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.983 5.708 -1.674 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.518 4.554 -3.114 1.00 0.00 C ATOM 0 H THR A 58 -6.791 5.875 -3.107 1.00 0.00 H new ATOM 0 HA THR A 58 -8.005 3.462 -2.411 1.00 0.00 H new ATOM 0 HB THR A 58 -9.051 5.970 -3.732 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.289 6.399 -1.674 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.281 5.309 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.642 4.159 -4.122 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.622 3.744 -2.392 1.00 0.00 H new ATOM 409 N ASN A 59 -8.079 4.066 -5.681 1.00 0.00 N ATOM 410 CA ASN A 59 -8.233 3.389 -6.962 1.00 0.00 C ATOM 411 C ASN A 59 -7.271 2.200 -7.061 1.00 0.00 C ATOM 412 O ASN A 59 -7.656 1.120 -7.505 1.00 0.00 O ATOM 413 CB ASN A 59 -7.978 4.380 -8.103 1.00 0.00 C ATOM 414 CG ASN A 59 -8.001 3.675 -9.455 1.00 0.00 C ATOM 415 OD1 ASN A 59 -6.964 3.480 -10.078 1.00 0.00 O ATOM 416 ND2 ASN A 59 -9.182 3.285 -9.926 1.00 0.00 N ATOM 0 H ASN A 59 -7.878 5.064 -5.749 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.252 3.009 -7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.735 5.164 -8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.013 4.866 -7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.240 2.811 -10.827 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.029 3.460 -9.386 1.00 0.00 H new ATOM 417 N ALA A 60 -6.027 2.393 -6.618 1.00 0.00 N ATOM 418 CA ALA A 60 -4.998 1.373 -6.671 1.00 0.00 C ATOM 419 C ALA A 60 -5.327 0.148 -5.809 1.00 0.00 C ATOM 420 O ALA A 60 -5.121 -0.969 -6.277 1.00 0.00 O ATOM 421 CB ALA A 60 -3.655 1.991 -6.263 1.00 0.00 C ATOM 0 H ALA A 60 -5.711 3.273 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.940 1.008 -7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.877 1.228 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.404 2.800 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.728 2.384 -5.249 1.00 0.00 H new ATOM 422 N VAL A 61 -5.834 0.305 -4.577 1.00 0.00 N ATOM 423 CA VAL A 61 -6.074 -0.877 -3.739 1.00 0.00 C ATOM 424 C VAL A 61 -7.483 -1.443 -3.923 1.00 0.00 C ATOM 425 O VAL A 61 -7.665 -2.655 -3.841 1.00 0.00 O ATOM 426 CB VAL A 61 -5.852 -0.579 -2.241 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.675 0.338 -1.957 1.00 0.00 C ATOM 428 CG2 VAL A 61 -7.057 -0.084 -1.455 1.00 0.00 C ATOM 0 H VAL A 61 -6.077 1.200 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.348 -1.620 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.633 -1.583 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.588 0.497 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.759 -0.119 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.832 1.296 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.769 0.088 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.418 0.848 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.848 -0.833 -1.493 1.00 0.00 H new ATOM 429 N LYS A 62 -8.486 -0.589 -4.146 1.00 0.00 N ATOM 430 CA LYS A 62 -9.882 -0.998 -4.248 1.00 0.00 C ATOM 431 C LYS A 62 -10.117 -2.066 -5.319 1.00 0.00 C ATOM 432 O LYS A 62 -11.084 -2.816 -5.219 1.00 0.00 O ATOM 433 CB LYS A 62 -10.758 0.245 -4.458 1.00 0.00 C ATOM 434 CG LYS A 62 -12.248 -0.064 -4.273 1.00 0.00 C ATOM 435 CD LYS A 62 -13.045 1.236 -4.119 1.00 0.00 C ATOM 436 CE LYS A 62 -14.508 0.923 -3.792 1.00 0.00 C ATOM 437 NZ LYS A 62 -15.281 2.155 -3.560 1.00 0.00 N ATOM 0 H LYS A 62 -8.346 0.415 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.167 -1.477 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.459 1.022 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.592 0.641 -5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.619 -0.627 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.390 -0.692 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.610 1.846 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.987 1.818 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.954 0.361 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.557 0.288 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.268 1.910 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.869 2.678 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.253 2.748 -4.414 1.00 0.00 H new ATOM 438 N LYS A 63 -9.259 -2.152 -6.340 1.00 0.00 N ATOM 439 CA LYS A 63 -9.422 -3.176 -7.362 1.00 0.00 C ATOM 440 C LYS A 63 -9.103 -4.577 -6.808 1.00 0.00 C ATOM 441 O LYS A 63 -9.441 -5.567 -7.452 1.00 0.00 O ATOM 442 CB LYS A 63 -8.578 -2.828 -8.598 1.00 0.00 C ATOM 443 CG LYS A 63 -7.060 -2.934 -8.398 1.00 0.00 C ATOM 444 CD LYS A 63 -6.353 -2.496 -9.689 1.00 0.00 C ATOM 445 CE LYS A 63 -4.855 -2.820 -9.671 1.00 0.00 C ATOM 446 NZ LYS A 63 -4.127 -2.028 -8.665 1.00 0.00 N ATOM 0 H LYS A 63 -8.459 -1.534 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.467 -3.200 -7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.869 -3.488 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.818 -1.811 -8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.745 -2.306 -7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.784 -3.958 -8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.819 -2.990 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.489 -1.424 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.717 -3.881 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.432 -2.629 -10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.545 -1.311 -9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.807 -1.558 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.514 -2.655 -8.107 1.00 0.00 H new ATOM 447 N TYR A 64 -8.432 -4.683 -5.652 1.00 0.00 N ATOM 448 CA TYR A 64 -8.084 -5.933 -5.024 1.00 0.00 C ATOM 449 C TYR A 64 -9.176 -6.352 -4.038 1.00 0.00 C ATOM 450 O TYR A 64 -10.209 -5.708 -3.881 1.00 0.00 O ATOM 451 CB TYR A 64 -6.735 -5.748 -4.314 1.00 0.00 C ATOM 452 CG TYR A 64 -5.590 -5.283 -5.188 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.342 -5.895 -6.430 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.698 -4.314 -4.699 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.232 -5.505 -7.196 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.601 -3.911 -5.475 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.355 -4.521 -6.716 1.00 0.00 C ATOM 458 OH TYR A 64 -2.272 -4.155 -7.460 1.00 0.00 O ATOM 0 H TYR A 64 -8.115 -3.869 -5.126 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.999 -6.725 -5.768 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.866 -5.028 -3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.455 -6.696 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.006 -6.665 -6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.857 -3.878 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.053 -5.964 -8.157 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.945 -3.131 -5.118 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.477 -4.266 -8.412 1.00 0.00 H new ATOM 459 N SER A 65 -8.892 -7.460 -3.366 1.00 0.00 N ATOM 460 CA SER A 65 -9.714 -8.132 -2.369 1.00 0.00 C ATOM 461 C SER A 65 -8.901 -8.349 -1.092 1.00 0.00 C ATOM 462 O SER A 65 -7.673 -8.346 -1.137 1.00 0.00 O ATOM 463 CB SER A 65 -10.181 -9.477 -2.936 1.00 0.00 C ATOM 464 OG SER A 65 -10.863 -9.279 -4.157 1.00 0.00 O ATOM 0 H SER A 65 -8.011 -7.951 -3.516 1.00 0.00 H new ATOM 0 HA SER A 65 -10.583 -7.519 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.324 -10.132 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.837 -9.974 -2.221 1.00 0.00 H new ATOM 0 HG SER A 65 -11.156 -10.144 -4.512 1.00 0.00 H new ATOM 465 N ASP A 66 -9.585 -8.586 0.032 1.00 0.00 N ATOM 466 CA ASP A 66 -8.996 -8.798 1.353 1.00 0.00 C ATOM 467 C ASP A 66 -7.719 -9.648 1.333 1.00 0.00 C ATOM 468 O ASP A 66 -6.705 -9.252 1.901 1.00 0.00 O ATOM 469 CB ASP A 66 -10.040 -9.459 2.259 1.00 0.00 C ATOM 470 CG ASP A 66 -9.452 -9.733 3.638 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.327 -8.750 4.399 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.123 -10.910 3.893 1.00 0.00 O ATOM 0 H ASP A 66 -10.604 -8.637 0.044 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.703 -7.819 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.912 -8.812 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.381 -10.392 1.810 1.00 0.00 H new ATOM 473 N GLU A 67 -7.763 -10.809 0.676 1.00 0.00 N ATOM 474 CA GLU A 67 -6.621 -11.716 0.608 1.00 0.00 C ATOM 475 C GLU A 67 -5.418 -11.013 -0.036 1.00 0.00 C ATOM 476 O GLU A 67 -4.299 -11.067 0.473 1.00 0.00 O ATOM 477 CB GLU A 67 -7.034 -12.981 -0.166 1.00 0.00 C ATOM 478 CG GLU A 67 -6.121 -14.188 0.108 1.00 0.00 C ATOM 479 CD GLU A 67 -4.693 -14.012 -0.402 1.00 0.00 C ATOM 480 OE1 GLU A 67 -4.556 -13.605 -1.576 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.772 -14.289 0.397 1.00 0.00 O ATOM 0 H GLU A 67 -8.589 -11.144 0.179 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.315 -12.011 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.059 -13.242 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.026 -12.764 -1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.093 -14.373 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.556 -15.073 -0.357 1.00 0.00 H new ATOM 482 N GLU A 68 -5.658 -10.344 -1.164 1.00 0.00 N ATOM 483 CA GLU A 68 -4.628 -9.624 -1.889 1.00 0.00 C ATOM 484 C GLU A 68 -4.099 -8.487 -1.014 1.00 0.00 C ATOM 485 O GLU A 68 -2.893 -8.278 -0.947 1.00 0.00 O ATOM 486 CB GLU A 68 -5.219 -9.088 -3.192 1.00 0.00 C ATOM 487 CG GLU A 68 -5.610 -10.201 -4.170 1.00 0.00 C ATOM 488 CD GLU A 68 -6.348 -9.610 -5.364 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.517 -9.220 -5.155 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.726 -9.527 -6.444 1.00 0.00 O ATOM 0 H GLU A 68 -6.580 -10.290 -1.597 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.797 -10.286 -2.132 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.098 -8.485 -2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.494 -8.429 -3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.718 -10.729 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.242 -10.933 -3.667 1.00 0.00 H new ATOM 491 N LEU A 69 -4.993 -7.748 -0.347 1.00 0.00 N ATOM 492 CA LEU A 69 -4.595 -6.663 0.544 1.00 0.00 C ATOM 493 C LEU A 69 -3.669 -7.221 1.630 1.00 0.00 C ATOM 494 O LEU A 69 -2.595 -6.674 1.874 1.00 0.00 O ATOM 495 CB LEU A 69 -5.830 -5.992 1.164 1.00 0.00 C ATOM 496 CG LEU A 69 -6.730 -5.254 0.160 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.883 -4.594 0.924 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.967 -4.188 -0.629 1.00 0.00 C ATOM 0 H LEU A 69 -6.002 -7.886 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.060 -5.903 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.423 -6.752 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.499 -5.284 1.924 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.104 -5.984 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.529 -4.067 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.460 -5.359 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.481 -3.887 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.646 -3.695 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.555 -3.451 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.156 -4.658 -1.185 1.00 0.00 H new ATOM 499 N LYS A 70 -4.070 -8.321 2.274 1.00 0.00 N ATOM 500 CA LYS A 70 -3.272 -8.982 3.298 1.00 0.00 C ATOM 501 C LYS A 70 -1.896 -9.318 2.711 1.00 0.00 C ATOM 502 O LYS A 70 -0.876 -8.992 3.316 1.00 0.00 O ATOM 503 CB LYS A 70 -4.016 -10.234 3.783 1.00 0.00 C ATOM 504 CG LYS A 70 -3.213 -11.042 4.814 1.00 0.00 C ATOM 505 CD LYS A 70 -3.930 -12.339 5.224 1.00 0.00 C ATOM 506 CE LYS A 70 -4.296 -13.252 4.043 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.172 -13.445 3.107 1.00 0.00 N ATOM 0 H LYS A 70 -4.965 -8.777 2.095 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.121 -8.332 4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.968 -9.938 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.244 -10.870 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.235 -11.285 4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.041 -10.429 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.292 -12.892 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.840 -12.083 5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.618 -14.221 4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.142 -12.824 3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.485 -14.026 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.847 -12.520 2.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.390 -13.925 3.597 1.00 0.00 H new ATOM 508 N ALA A 71 -1.864 -9.961 1.538 1.00 0.00 N ATOM 509 CA ALA A 71 -0.621 -10.313 0.857 1.00 0.00 C ATOM 510 C ALA A 71 0.239 -9.060 0.672 1.00 0.00 C ATOM 511 O ALA A 71 1.440 -9.068 0.946 1.00 0.00 O ATOM 512 CB ALA A 71 -0.940 -10.984 -0.482 1.00 0.00 C ATOM 0 H ALA A 71 -2.703 -10.251 1.036 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.053 -11.022 1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.011 -11.246 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.524 -11.887 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.512 -10.297 -1.106 1.00 0.00 H new ATOM 513 N LEU A 72 -0.378 -7.963 0.232 1.00 0.00 N ATOM 514 CA LEU A 72 0.323 -6.713 0.021 1.00 0.00 C ATOM 515 C LEU A 72 0.951 -6.210 1.311 1.00 0.00 C ATOM 516 O LEU A 72 2.130 -5.870 1.318 1.00 0.00 O ATOM 517 CB LEU A 72 -0.678 -5.676 -0.497 1.00 0.00 C ATOM 518 CG LEU A 72 -0.253 -4.975 -1.780 1.00 0.00 C ATOM 519 CD1 LEU A 72 0.301 -5.903 -2.820 1.00 0.00 C ATOM 520 CD2 LEU A 72 -1.518 -4.396 -2.392 1.00 0.00 C ATOM 0 H LEU A 72 -1.374 -7.924 0.015 1.00 0.00 H new ATOM 0 HA LEU A 72 1.122 -6.873 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.636 -6.167 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.837 -4.925 0.277 1.00 0.00 H new ATOM 0 HG LEU A 72 0.517 -4.250 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.582 -5.332 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.179 -6.412 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.455 -6.641 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.270 -3.879 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.222 -5.201 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.970 -3.692 -1.694 1.00 0.00 H new ATOM 521 N ALA A 73 0.166 -6.127 2.388 1.00 0.00 N ATOM 522 CA ALA A 73 0.673 -5.617 3.652 1.00 0.00 C ATOM 523 C ALA A 73 1.774 -6.527 4.161 1.00 0.00 C ATOM 524 O ALA A 73 2.749 -6.035 4.716 1.00 0.00 O ATOM 525 CB ALA A 73 -0.427 -5.556 4.719 1.00 0.00 C ATOM 0 H ALA A 73 -0.815 -6.406 2.405 1.00 0.00 H new ATOM 0 HA ALA A 73 1.049 -4.610 3.473 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.010 -5.170 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.227 -4.898 4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.826 -6.556 4.888 1.00 0.00 H new ATOM 526 N ASP A 74 1.605 -7.845 4.020 1.00 0.00 N ATOM 527 CA ASP A 74 2.629 -8.789 4.428 1.00 0.00 C ATOM 528 C ASP A 74 3.917 -8.403 3.705 1.00 0.00 C ATOM 529 O ASP A 74 4.942 -8.191 4.349 1.00 0.00 O ATOM 530 CB ASP A 74 2.203 -10.224 4.100 1.00 0.00 C ATOM 531 CG ASP A 74 3.327 -11.207 4.403 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.526 -11.488 5.603 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.976 -11.648 3.430 1.00 0.00 O ATOM 0 H ASP A 74 0.768 -8.274 3.626 1.00 0.00 H new ATOM 0 HA ASP A 74 2.785 -8.752 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.318 -10.487 4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.927 -10.294 3.048 1.00 0.00 H new ATOM 534 N TYR A 75 3.844 -8.239 2.378 1.00 0.00 N ATOM 535 CA TYR A 75 5.010 -7.856 1.600 1.00 0.00 C ATOM 536 C TYR A 75 5.581 -6.530 2.110 1.00 0.00 C ATOM 537 O TYR A 75 6.737 -6.477 2.522 1.00 0.00 O ATOM 538 CB TYR A 75 4.695 -7.793 0.109 1.00 0.00 C ATOM 539 CG TYR A 75 5.943 -7.463 -0.686 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.013 -8.379 -0.681 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.146 -6.164 -1.186 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.264 -8.015 -1.207 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.391 -5.812 -1.739 1.00 0.00 C ATOM 544 CZ TYR A 75 8.451 -6.731 -1.739 1.00 0.00 C ATOM 545 OH TYR A 75 9.659 -6.364 -2.252 1.00 0.00 O ATOM 0 H TYR A 75 2.992 -8.366 1.831 1.00 0.00 H new ATOM 0 HA TYR A 75 5.771 -8.626 1.730 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.288 -8.748 -0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.930 -7.039 -0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.871 -9.368 -0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.347 -5.438 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.080 -8.723 -1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.531 -4.830 -2.165 1.00 0.00 H new ATOM 0 HH TYR A 75 9.609 -5.441 -2.578 1.00 0.00 H new ATOM 546 N MET A 76 4.783 -5.458 2.088 1.00 0.00 N ATOM 547 CA MET A 76 5.209 -4.147 2.567 1.00 0.00 C ATOM 548 C MET A 76 5.843 -4.203 3.970 1.00 0.00 C ATOM 549 O MET A 76 6.844 -3.541 4.240 1.00 0.00 O ATOM 550 CB MET A 76 4.005 -3.208 2.552 1.00 0.00 C ATOM 551 CG MET A 76 3.714 -2.709 1.139 1.00 0.00 C ATOM 552 SD MET A 76 2.336 -1.543 1.040 1.00 0.00 S ATOM 553 CE MET A 76 0.939 -2.664 1.168 1.00 0.00 C ATOM 0 H MET A 76 3.825 -5.478 1.737 1.00 0.00 H new ATOM 0 HA MET A 76 5.987 -3.775 1.901 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.131 -3.727 2.945 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.194 -2.359 3.209 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.610 -2.232 0.742 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.499 -3.565 0.500 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.085 -2.244 0.636 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.203 -3.626 0.729 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.679 -2.804 2.217 1.00 0.00 H new ATOM 554 N SER A 77 5.278 -4.997 4.876 1.00 0.00 N ATOM 555 CA SER A 77 5.784 -5.127 6.236 1.00 0.00 C ATOM 556 C SER A 77 7.101 -5.904 6.290 1.00 0.00 C ATOM 557 O SER A 77 7.737 -5.900 7.342 1.00 0.00 O ATOM 558 CB SER A 77 4.741 -5.823 7.109 1.00 0.00 C ATOM 559 OG SER A 77 5.056 -5.654 8.482 1.00 0.00 O ATOM 0 H SER A 77 4.455 -5.569 4.686 1.00 0.00 H new ATOM 0 HA SER A 77 5.978 -4.122 6.612 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.752 -5.413 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.703 -6.885 6.866 1.00 0.00 H new ATOM 0 HG SER A 77 6.023 -5.531 8.583 1.00 0.00 H new ATOM 560 N LYS A 78 7.466 -6.609 5.215 1.00 0.00 N ATOM 561 CA LYS A 78 8.694 -7.385 5.109 1.00 0.00 C ATOM 562 C LYS A 78 9.716 -6.654 4.227 1.00 0.00 C ATOM 563 O LYS A 78 10.709 -7.263 3.832 1.00 0.00 O ATOM 564 CB LYS A 78 8.357 -8.778 4.552 1.00 0.00 C ATOM 565 CG LYS A 78 7.547 -9.598 5.567 1.00 0.00 C ATOM 566 CD LYS A 78 6.842 -10.791 4.912 1.00 0.00 C ATOM 567 CE LYS A 78 7.804 -11.805 4.290 1.00 0.00 C ATOM 568 NZ LYS A 78 7.058 -12.944 3.725 1.00 0.00 N ATOM 0 H LYS A 78 6.894 -6.653 4.372 1.00 0.00 H new ATOM 0 HA LYS A 78 9.146 -7.502 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.790 -8.676 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.278 -9.307 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.210 -9.957 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.806 -8.956 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.229 -11.295 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.166 -10.424 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.393 -11.325 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.505 -12.160 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.467 -13.205 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.119 -13.755 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.061 -12.677 3.598 1.00 0.00 H new ATOM 569 N LEU A 79 9.463 -5.385 3.877 1.00 0.00 N ATOM 570 CA LEU A 79 10.405 -4.595 3.096 1.00 0.00 C ATOM 571 C LEU A 79 11.700 -4.411 3.890 1.00 0.00 C ATOM 572 O LEU A 79 12.766 -4.349 3.239 1.00 0.00 O ATOM 573 CB LEU A 79 9.802 -3.218 2.797 1.00 0.00 C ATOM 574 CG LEU A 79 8.680 -3.259 1.754 1.00 0.00 C ATOM 575 CD1 LEU A 79 7.962 -1.909 1.681 1.00 0.00 C ATOM 576 CD2 LEU A 79 9.227 -3.519 0.362 1.00 0.00 C ATOM 577 OXT LEU A 79 11.600 -4.276 5.132 1.00 0.00 O ATOM 0 H LEU A 79 8.608 -4.888 4.127 1.00 0.00 H new ATOM 0 HA LEU A 79 10.616 -5.113 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.413 -2.791 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.591 -2.553 2.446 1.00 0.00 H new ATOM 0 HG LEU A 79 8.005 -4.058 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.169 -1.959 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.531 -1.673 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.674 -1.133 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.405 -3.542 -0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.923 -2.725 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.747 -4.477 0.348 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.700 3.838 -2.304 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.482 5.049 0.831 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.072 0.691 -1.109 1.00 7.91 C HETATM 582 CHC HEM A 80 0.515 2.660 -5.501 1.00 6.02 C HETATM 583 CHD HEM A 80 1.286 7.017 -3.505 1.00 10.53 C HETATM 584 NA HEM A 80 0.409 3.008 -0.490 1.00 6.22 N HETATM 585 C1A HEM A 80 0.364 3.685 0.703 1.00 6.23 C HETATM 586 C2A HEM A 80 0.120 2.792 1.801 1.00 8.27 C HETATM 587 C3A HEM A 80 -0.098 1.572 1.261 1.00 7.07 C HETATM 588 C4A HEM A 80 0.104 1.698 -0.169 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.512 0.332 1.989 1.00 7.00 C HETATM 590 CAA HEM A 80 0.090 3.184 3.257 1.00 7.29 C HETATM 591 CBA HEM A 80 -1.113 4.034 3.695 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.803 5.499 3.973 1.00 22.27 C HETATM 593 O1A HEM A 80 0.281 5.785 4.476 1.00 18.65 O HETATM 594 O2A HEM A 80 -1.666 6.334 3.711 1.00 17.21 O HETATM 595 NB HEM A 80 0.190 2.101 -3.129 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.137 0.926 -2.478 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.547 -0.061 -3.424 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.236 0.414 -4.656 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.162 1.791 -4.476 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.092 -1.397 -3.036 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.208 -0.347 -5.961 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.501 -1.045 -6.390 1.00 6.48 C HETATM 603 NC HEM A 80 0.955 4.655 -4.128 1.00 3.58 N HETATM 604 C1C HEM A 80 0.848 3.999 -5.339 1.00 4.45 C HETATM 605 C2C HEM A 80 1.168 4.886 -6.425 1.00 5.77 C HETATM 606 C3C HEM A 80 1.499 6.084 -5.874 1.00 8.44 C HETATM 607 C4C HEM A 80 1.252 5.973 -4.439 1.00 11.13 C HETATM 608 CMC HEM A 80 1.174 4.473 -7.876 1.00 8.62 C HETATM 609 CAC HEM A 80 2.035 7.298 -6.599 1.00 3.39 C HETATM 610 CBC HEM A 80 0.933 8.074 -7.330 1.00 10.94 C HETATM 611 ND HEM A 80 0.870 5.661 -1.500 1.00 4.28 N HETATM 612 C1D HEM A 80 1.101 6.871 -2.126 1.00 5.02 C HETATM 613 C2D HEM A 80 1.137 7.940 -1.127 1.00 3.97 C HETATM 614 C3D HEM A 80 0.940 7.356 0.092 1.00 5.11 C HETATM 615 C4D HEM A 80 0.749 5.959 -0.165 1.00 9.05 C HETATM 616 CMD HEM A 80 1.363 9.397 -1.429 1.00 5.28 C HETATM 617 CAD HEM A 80 0.905 7.952 1.495 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.417 8.613 1.878 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.655 9.915 1.141 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.168 10.943 1.601 1.00 8.25 O HETATM 621 O2D HEM A 80 -1.375 9.895 0.148 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -1.133 -0.283 1.337 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -1.080 0.605 2.879 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.374 -0.231 2.283 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.792 -1.740 -3.798 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.608 -1.316 -2.079 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.274 -2.112 -2.947 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.916 5.329 -8.499 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.444 3.679 -8.031 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 2.166 4.112 -8.147 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.991 9.492 -2.315 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.857 9.872 -0.581 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.405 9.884 -1.610 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.533 -1.607 -7.323 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.390 -0.980 -5.762 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.182 8.973 -7.894 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.099 7.727 -7.285 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.542 3.592 4.595 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.877 3.981 2.919 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.003 3.735 3.485 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.108 2.276 3.859 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.427 8.801 2.952 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.236 7.926 1.667 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.702 8.690 1.581 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.122 7.163 2.215 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.350 5.451 1.825 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.163 -0.327 -0.759 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.532 2.262 -6.505 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.470 8.013 -3.879 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.694 -0.397 -6.571 1.00 6.35 H new HETATM 0 HAC HEM A 80 3.086 7.588 -6.602 1.00 3.39 H new