USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 63 LYS NZ :NH3+ -154:sc= 0.758 (180deg=-0.0607) USER MOD Set 1.2: A 64 TYR OH : rot 133:sc= 1.58 USER MOD Set 2.1: A 41 MET CE :methyl -153:sc= -0.634 (180deg=-0.734) USER MOD Set 2.2: A 76 MET CE :methyl 165:sc= -1.19 (180deg=-0.334) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -2.6 (180deg=-5.23!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 159:sc= 0.743 (180deg=0.473) USER MOD Set 3.2: A 49 TYR OH : rot 172:sc= 1.18 USER MOD Single : A 1 ALA N :NH3+ 178:sc= 1.67 (180deg=1.56) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.827 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -72:sc= 0.661 USER MOD Single : A 19 SER OG : rot 101:sc= 1.14 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= 0.358 (180deg=0.101) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 78:sc= 0.85 USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 0.669 (180deg=0.529) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 1.61 (180deg=1.37) USER MOD Single : A 32 GLN : amide:sc= 1.2 K(o=1.2,f=-1.4) USER MOD Single : A 38 TYR OH : rot 11:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.0224 (180deg=-0.19) USER MOD Single : A 42 LYS NZ :NH3+ -123:sc= 0.486 (180deg=-0.182) USER MOD Single : A 44 TYR OH : rot 45:sc= 1.22 USER MOD Single : A 48 SER OG : rot -45:sc= 0.787 USER MOD Single : A 54 LYS NZ :NH3+ -176:sc=-0.00412 (180deg=-0.0389) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 166:sc= -2.58 (180deg=-4.36) USER MOD Single : A 58 THR OG1 : rot 80:sc= 1.16 USER MOD Single : A 59 ASN : amide:sc= 0.0311! X(o=0.031!,f=-0.018) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= -0.017 (180deg=-0.118) USER MOD Single : A 65 SER OG : rot 12:sc= 0.309 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0306) USER MOD Single : A 75 TYR OH : rot -139:sc= 1.21 USER MOD Single : A 77 SER OG : rot -27:sc= 0.927 USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= 0.649 (180deg=0.0149) USER MOD Single : A 80 HEM CMB :methyl -30:sc= -1.6 (180deg=-1.61) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.436 (180deg=-0.436) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.726 (180deg=-7.41!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.801 -12.903 -3.822 1.00 0.00 N ATOM 2 CA ALA A 1 -1.673 -13.379 -4.638 1.00 0.00 C ATOM 3 C ALA A 1 -0.397 -12.845 -3.995 1.00 0.00 C ATOM 4 O ALA A 1 -0.521 -11.994 -3.119 1.00 0.00 O ATOM 5 CB ALA A 1 -1.799 -12.892 -6.085 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.695 -13.219 -4.248 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.721 -13.289 -2.860 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.785 -11.864 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.659 -14.468 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.953 -13.258 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.726 -13.269 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.808 -11.802 -6.103 1.00 0.00 H new ATOM 6 N ASP A 2 0.781 -13.319 -4.407 1.00 0.00 N ATOM 7 CA ASP A 2 2.080 -12.921 -3.870 1.00 0.00 C ATOM 8 C ASP A 2 2.177 -11.406 -3.654 1.00 0.00 C ATOM 9 O ASP A 2 2.063 -10.629 -4.603 1.00 0.00 O ATOM 10 CB ASP A 2 3.185 -13.393 -4.825 1.00 0.00 C ATOM 11 CG ASP A 2 3.143 -14.900 -5.048 1.00 0.00 C ATOM 12 OD1 ASP A 2 2.134 -15.347 -5.641 1.00 0.00 O ATOM 13 OD2 ASP A 2 4.100 -15.572 -4.609 1.00 0.00 O ATOM 0 H ASP A 2 0.857 -14.014 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 2 2.202 -13.390 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.079 -12.882 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.158 -13.114 -4.420 1.00 0.00 H new ATOM 14 N GLY A 3 2.417 -10.995 -2.405 1.00 0.00 N ATOM 15 CA GLY A 3 2.528 -9.599 -2.026 1.00 0.00 C ATOM 16 C GLY A 3 3.539 -8.871 -2.897 1.00 0.00 C ATOM 17 O GLY A 3 3.197 -7.888 -3.543 1.00 0.00 O ATOM 0 H GLY A 3 2.540 -11.639 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.554 -9.117 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.826 -9.526 -0.980 1.00 0.00 H new ATOM 18 N ALA A 4 4.778 -9.366 -2.947 1.00 0.00 N ATOM 19 CA ALA A 4 5.829 -8.758 -3.750 1.00 0.00 C ATOM 20 C ALA A 4 5.361 -8.511 -5.185 1.00 0.00 C ATOM 21 O ALA A 4 5.563 -7.425 -5.721 1.00 0.00 O ATOM 22 CB ALA A 4 7.062 -9.668 -3.753 1.00 0.00 C ATOM 0 H ALA A 4 5.075 -10.195 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 4 6.082 -7.794 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.849 -9.213 -4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.418 -9.802 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.798 -10.637 -4.175 1.00 0.00 H new ATOM 23 N ALA A 5 4.724 -9.516 -5.796 1.00 0.00 N ATOM 24 CA ALA A 5 4.243 -9.411 -7.163 1.00 0.00 C ATOM 25 C ALA A 5 3.232 -8.275 -7.291 1.00 0.00 C ATOM 26 O ALA A 5 3.356 -7.455 -8.196 1.00 0.00 O ATOM 27 CB ALA A 5 3.631 -10.738 -7.618 1.00 0.00 C ATOM 0 H ALA A 5 4.532 -10.415 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 5 5.090 -9.185 -7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.276 -10.642 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.385 -11.523 -7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.795 -10.995 -6.967 1.00 0.00 H new ATOM 28 N LEU A 6 2.236 -8.202 -6.400 1.00 0.00 N ATOM 29 CA LEU A 6 1.248 -7.156 -6.453 1.00 0.00 C ATOM 30 C LEU A 6 1.933 -5.801 -6.268 1.00 0.00 C ATOM 31 O LEU A 6 1.713 -4.877 -7.057 1.00 0.00 O ATOM 32 CB LEU A 6 0.237 -7.439 -5.341 1.00 0.00 C ATOM 33 CG LEU A 6 -0.642 -8.676 -5.587 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.320 -9.069 -4.271 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.714 -8.407 -6.649 1.00 0.00 C ATOM 0 H LEU A 6 2.106 -8.865 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 6 0.734 -7.128 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.774 -7.570 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.407 -6.568 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.006 -9.483 -5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.947 -9.946 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.560 -9.299 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.937 -8.242 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.315 -9.305 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.356 -7.590 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.234 -8.135 -7.589 1.00 0.00 H new ATOM 36 N TYR A 7 2.801 -5.697 -5.252 1.00 0.00 N ATOM 37 CA TYR A 7 3.481 -4.453 -4.944 1.00 0.00 C ATOM 38 C TYR A 7 4.298 -3.884 -6.112 1.00 0.00 C ATOM 39 O TYR A 7 4.579 -2.686 -6.109 1.00 0.00 O ATOM 40 CB TYR A 7 4.310 -4.610 -3.660 1.00 0.00 C ATOM 41 CG TYR A 7 4.483 -3.318 -2.875 1.00 0.00 C ATOM 42 CD1 TYR A 7 3.356 -2.533 -2.554 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.726 -2.984 -2.310 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.495 -1.334 -1.840 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.853 -1.806 -1.551 1.00 0.00 C ATOM 46 CZ TYR A 7 4.774 -0.914 -1.449 1.00 0.00 C ATOM 47 OH TYR A 7 4.946 0.296 -0.851 1.00 0.00 O ATOM 0 H TYR A 7 3.043 -6.470 -4.632 1.00 0.00 H new ATOM 0 HA TYR A 7 2.711 -3.701 -4.768 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.832 -5.351 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.294 -5.000 -3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.374 -2.859 -2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.580 -3.629 -2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.627 -0.741 -1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.782 -1.588 -1.046 1.00 0.00 H new ATOM 0 HH TYR A 7 5.895 0.427 -0.645 1.00 0.00 H new ATOM 48 N LYS A 8 4.657 -4.687 -7.124 1.00 0.00 N ATOM 49 CA LYS A 8 5.398 -4.190 -8.288 1.00 0.00 C ATOM 50 C LYS A 8 4.723 -2.941 -8.877 1.00 0.00 C ATOM 51 O LYS A 8 5.396 -1.982 -9.246 1.00 0.00 O ATOM 52 CB LYS A 8 5.490 -5.266 -9.378 1.00 0.00 C ATOM 53 CG LYS A 8 6.406 -6.426 -8.972 1.00 0.00 C ATOM 54 CD LYS A 8 6.372 -7.575 -9.989 1.00 0.00 C ATOM 55 CE LYS A 8 6.931 -7.165 -11.357 1.00 0.00 C ATOM 56 NZ LYS A 8 7.014 -8.320 -12.268 1.00 0.00 N ATOM 0 H LYS A 8 4.445 -5.684 -7.158 1.00 0.00 H new ATOM 0 HA LYS A 8 6.401 -3.932 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.493 -5.651 -9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.862 -4.817 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.428 -6.062 -8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.104 -6.800 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.948 -8.416 -9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.345 -7.920 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.295 -6.397 -11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.921 -6.726 -11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.395 -8.012 -13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.640 -9.042 -11.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.065 -8.723 -12.405 1.00 0.00 H new ATOM 57 N SER A 9 3.389 -2.941 -8.951 1.00 0.00 N ATOM 58 CA SER A 9 2.632 -1.815 -9.494 1.00 0.00 C ATOM 59 C SER A 9 2.797 -0.537 -8.665 1.00 0.00 C ATOM 60 O SER A 9 2.707 0.573 -9.184 1.00 0.00 O ATOM 61 CB SER A 9 1.144 -2.185 -9.536 1.00 0.00 C ATOM 62 OG SER A 9 0.663 -2.598 -8.269 1.00 0.00 O ATOM 0 H SER A 9 2.808 -3.718 -8.637 1.00 0.00 H new ATOM 0 HA SER A 9 3.020 -1.615 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.567 -1.327 -9.881 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.990 -2.985 -10.260 1.00 0.00 H new ATOM 0 HG SER A 9 1.025 -3.483 -8.054 1.00 0.00 H new ATOM 63 N CYS A 10 3.028 -0.707 -7.367 1.00 0.00 N ATOM 64 CA CYS A 10 3.136 0.328 -6.361 1.00 0.00 C ATOM 65 C CYS A 10 4.557 0.863 -6.320 1.00 0.00 C ATOM 66 O CYS A 10 4.776 2.061 -6.126 1.00 0.00 O ATOM 67 CB CYS A 10 2.739 -0.302 -5.022 1.00 0.00 C ATOM 68 SG CYS A 10 1.371 -1.504 -5.101 1.00 0.00 S ATOM 0 H CYS A 10 3.152 -1.638 -6.970 1.00 0.00 H new ATOM 0 HA CYS A 10 2.481 1.170 -6.585 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.613 -0.798 -4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.461 0.495 -4.333 1.00 0.00 H new ATOM 69 N ILE A 11 5.517 -0.043 -6.531 1.00 0.00 N ATOM 70 CA ILE A 11 6.947 0.219 -6.552 1.00 0.00 C ATOM 71 C ILE A 11 7.260 1.456 -7.409 1.00 0.00 C ATOM 72 O ILE A 11 8.186 2.198 -7.095 1.00 0.00 O ATOM 73 CB ILE A 11 7.685 -1.072 -6.994 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.707 -1.545 -5.947 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.422 -0.924 -8.335 1.00 0.00 C ATOM 76 CD1 ILE A 11 8.076 -1.951 -4.607 1.00 0.00 C ATOM 0 H ILE A 11 5.300 -1.025 -6.699 1.00 0.00 H new ATOM 0 HA ILE A 11 7.313 0.469 -5.556 1.00 0.00 H new ATOM 0 HB ILE A 11 6.891 -1.810 -7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.260 -2.393 -6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.429 -0.748 -5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.916 -1.863 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.706 -0.672 -9.118 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.167 -0.132 -8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.858 -2.273 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.547 -1.099 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.375 -2.770 -4.768 1.00 0.00 H new ATOM 77 N GLY A 12 6.486 1.702 -8.472 1.00 0.00 N ATOM 78 CA GLY A 12 6.665 2.864 -9.332 1.00 0.00 C ATOM 79 C GLY A 12 6.662 4.177 -8.538 1.00 0.00 C ATOM 80 O GLY A 12 7.456 5.069 -8.825 1.00 0.00 O ATOM 0 H GLY A 12 5.717 1.095 -8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.606 2.771 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.869 2.889 -10.076 1.00 0.00 H new ATOM 81 N CYS A 13 5.769 4.301 -7.549 1.00 0.00 N ATOM 82 CA CYS A 13 5.657 5.488 -6.702 1.00 0.00 C ATOM 83 C CYS A 13 6.427 5.280 -5.402 1.00 0.00 C ATOM 84 O CYS A 13 7.173 6.152 -4.966 1.00 0.00 O ATOM 85 CB CYS A 13 4.192 5.771 -6.342 1.00 0.00 C ATOM 86 SG CYS A 13 3.225 6.764 -7.508 1.00 0.00 S ATOM 0 H CYS A 13 5.098 3.570 -7.314 1.00 0.00 H new ATOM 0 HA CYS A 13 6.068 6.329 -7.261 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.686 4.814 -6.213 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.174 6.274 -5.375 1.00 0.00 H new ATOM 87 N HIS A 14 6.215 4.124 -4.771 1.00 0.00 N ATOM 88 CA HIS A 14 6.806 3.763 -3.490 1.00 0.00 C ATOM 89 C HIS A 14 8.309 3.492 -3.553 1.00 0.00 C ATOM 90 O HIS A 14 8.970 3.442 -2.516 1.00 0.00 O ATOM 91 CB HIS A 14 6.017 2.572 -2.947 1.00 0.00 C ATOM 92 CG HIS A 14 4.664 3.005 -2.466 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.514 3.605 -1.230 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.415 3.021 -3.037 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.237 3.992 -1.132 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.493 3.574 -2.157 1.00 0.00 N ATOM 0 H HIS A 14 5.610 3.396 -5.151 1.00 0.00 H new ATOM 0 HA HIS A 14 6.733 4.613 -2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.907 1.817 -3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.568 2.108 -2.129 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.240 3.729 -0.525 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.183 2.656 -4.027 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.851 4.579 -0.312 1.00 0.00 H new ATOM 97 N GLY A 15 8.873 3.336 -4.746 1.00 0.00 N ATOM 98 CA GLY A 15 10.289 3.096 -4.911 1.00 0.00 C ATOM 99 C GLY A 15 10.664 1.654 -4.631 1.00 0.00 C ATOM 100 O GLY A 15 9.906 0.880 -4.042 1.00 0.00 O ATOM 0 H GLY A 15 8.354 3.374 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.583 3.355 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.847 3.751 -4.242 1.00 0.00 H new ATOM 101 N ALA A 16 11.877 1.312 -5.064 1.00 0.00 N ATOM 102 CA ALA A 16 12.433 -0.012 -4.913 1.00 0.00 C ATOM 103 C ALA A 16 12.440 -0.432 -3.450 1.00 0.00 C ATOM 104 O ALA A 16 13.266 0.016 -2.657 1.00 0.00 O ATOM 105 CB ALA A 16 13.845 -0.055 -5.480 1.00 0.00 C ATOM 0 H ALA A 16 12.503 1.965 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 16 11.808 -0.712 -5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.255 -1.058 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.820 0.203 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.473 0.659 -4.947 1.00 0.00 H new ATOM 106 N ASP A 17 11.462 -1.268 -3.125 1.00 0.00 N ATOM 107 CA ASP A 17 11.240 -1.895 -1.839 1.00 0.00 C ATOM 108 C ASP A 17 10.586 -0.906 -0.879 1.00 0.00 C ATOM 109 O ASP A 17 10.916 -0.872 0.296 1.00 0.00 O ATOM 110 CB ASP A 17 12.566 -2.486 -1.316 1.00 0.00 C ATOM 111 CG ASP A 17 12.363 -3.664 -0.373 1.00 0.00 C ATOM 112 OD1 ASP A 17 11.588 -4.569 -0.758 1.00 0.00 O ATOM 113 OD2 ASP A 17 13.001 -3.652 0.702 1.00 0.00 O ATOM 0 H ASP A 17 10.755 -1.542 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 17 10.543 -2.728 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.173 -2.806 -2.163 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.126 -1.706 -0.799 1.00 0.00 H new ATOM 114 N GLY A 18 9.672 -0.075 -1.392 1.00 0.00 N ATOM 115 CA GLY A 18 8.925 0.904 -0.613 1.00 0.00 C ATOM 116 C GLY A 18 9.790 1.945 0.094 1.00 0.00 C ATOM 117 O GLY A 18 9.329 2.583 1.043 1.00 0.00 O ATOM 0 H GLY A 18 9.430 -0.069 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.227 1.418 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.330 0.378 0.133 1.00 0.00 H new ATOM 118 N SER A 19 11.026 2.133 -0.375 1.00 0.00 N ATOM 119 CA SER A 19 11.988 3.046 0.215 1.00 0.00 C ATOM 120 C SER A 19 11.653 4.524 -0.005 1.00 0.00 C ATOM 121 O SER A 19 12.113 5.362 0.768 1.00 0.00 O ATOM 122 CB SER A 19 13.370 2.743 -0.376 1.00 0.00 C ATOM 123 OG SER A 19 13.673 1.366 -0.254 1.00 0.00 O ATOM 0 H SER A 19 11.386 1.641 -1.193 1.00 0.00 H new ATOM 0 HA SER A 19 11.965 2.886 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.394 3.035 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.128 3.335 0.137 1.00 0.00 H new ATOM 0 HG SER A 19 13.519 0.920 -1.113 1.00 0.00 H new ATOM 124 N LYS A 20 10.903 4.868 -1.056 1.00 0.00 N ATOM 125 CA LYS A 20 10.592 6.256 -1.356 1.00 0.00 C ATOM 126 C LYS A 20 9.298 6.714 -0.691 1.00 0.00 C ATOM 127 O LYS A 20 8.294 6.001 -0.644 1.00 0.00 O ATOM 128 CB LYS A 20 10.513 6.458 -2.883 1.00 0.00 C ATOM 129 CG LYS A 20 9.852 7.789 -3.276 1.00 0.00 C ATOM 130 CD LYS A 20 9.971 8.089 -4.773 1.00 0.00 C ATOM 131 CE LYS A 20 8.940 9.145 -5.203 1.00 0.00 C ATOM 132 NZ LYS A 20 8.913 10.316 -4.305 1.00 0.00 N ATOM 0 H LYS A 20 10.502 4.197 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 20 11.396 6.870 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.518 6.420 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.952 5.635 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.798 7.763 -2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.311 8.599 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.977 8.444 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.820 7.173 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.166 9.475 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.950 8.690 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.401 11.095 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.432 10.063 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.887 10.617 -4.097 1.00 0.00 H new ATOM 133 N ALA A 21 9.335 7.958 -0.211 1.00 0.00 N ATOM 134 CA ALA A 21 8.184 8.645 0.335 1.00 0.00 C ATOM 135 C ALA A 21 7.354 8.991 -0.900 1.00 0.00 C ATOM 136 O ALA A 21 7.577 10.020 -1.535 1.00 0.00 O ATOM 137 CB ALA A 21 8.641 9.892 1.100 1.00 0.00 C ATOM 0 H ALA A 21 10.187 8.519 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 21 7.611 8.056 1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.772 10.407 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.305 9.597 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.172 10.560 0.422 1.00 0.00 H new ATOM 138 N ALA A 22 6.470 8.072 -1.295 1.00 0.00 N ATOM 139 CA ALA A 22 5.661 8.183 -2.496 1.00 0.00 C ATOM 140 C ALA A 22 5.069 9.572 -2.730 1.00 0.00 C ATOM 141 O ALA A 22 4.500 10.146 -1.810 1.00 0.00 O ATOM 142 CB ALA A 22 4.566 7.118 -2.479 1.00 0.00 C ATOM 0 H ALA A 22 6.298 7.213 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 22 6.333 8.017 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.961 7.204 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.021 6.128 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.933 7.261 -1.603 1.00 0.00 H new ATOM 143 N MET A 23 5.210 10.052 -3.975 1.00 0.00 N ATOM 144 CA MET A 23 4.775 11.314 -4.577 1.00 0.00 C ATOM 145 C MET A 23 4.399 12.424 -3.589 1.00 0.00 C ATOM 146 O MET A 23 5.171 13.362 -3.414 1.00 0.00 O ATOM 147 CB MET A 23 3.624 11.025 -5.553 1.00 0.00 C ATOM 148 CG MET A 23 4.063 10.125 -6.714 1.00 0.00 C ATOM 149 SD MET A 23 5.387 10.773 -7.767 1.00 0.00 S ATOM 150 CE MET A 23 5.519 9.425 -8.961 1.00 0.00 C ATOM 0 H MET A 23 5.696 9.486 -4.671 1.00 0.00 H new ATOM 0 HA MET A 23 5.642 11.719 -5.100 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.805 10.548 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.241 11.965 -5.949 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.388 9.169 -6.303 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.194 9.924 -7.340 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.295 9.659 -9.690 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.776 8.502 -8.441 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.566 9.299 -9.474 1.00 0.00 H new ATOM 151 N GLY A 24 3.207 12.352 -2.986 1.00 0.00 N ATOM 152 CA GLY A 24 2.728 13.339 -2.022 1.00 0.00 C ATOM 153 C GLY A 24 3.770 13.637 -0.941 1.00 0.00 C ATOM 154 O GLY A 24 3.891 14.775 -0.491 1.00 0.00 O ATOM 0 H GLY A 24 2.543 11.597 -3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.473 14.261 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.814 12.974 -1.554 1.00 0.00 H new ATOM 155 N SER A 25 4.510 12.590 -0.564 1.00 0.00 N ATOM 156 CA SER A 25 5.592 12.445 0.401 1.00 0.00 C ATOM 157 C SER A 25 5.132 11.419 1.432 1.00 0.00 C ATOM 158 O SER A 25 5.048 11.744 2.615 1.00 0.00 O ATOM 159 CB SER A 25 6.005 13.763 1.078 1.00 0.00 C ATOM 160 OG SER A 25 6.490 14.688 0.126 1.00 0.00 O ATOM 0 H SER A 25 4.329 11.687 -1.002 1.00 0.00 H new ATOM 0 HA SER A 25 6.489 12.117 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.151 14.190 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.774 13.567 1.825 1.00 0.00 H new ATOM 0 HG SER A 25 5.735 15.098 -0.345 1.00 0.00 H new ATOM 161 N ALA A 26 4.819 10.183 1.009 1.00 0.00 N ATOM 162 CA ALA A 26 4.357 9.195 1.958 1.00 0.00 C ATOM 163 C ALA A 26 5.342 8.923 3.080 1.00 0.00 C ATOM 164 O ALA A 26 6.550 9.053 2.912 1.00 0.00 O ATOM 165 CB ALA A 26 4.136 7.863 1.238 1.00 0.00 C ATOM 0 H ALA A 26 4.879 9.864 0.042 1.00 0.00 H new ATOM 0 HA ALA A 26 3.442 9.602 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.788 7.117 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.389 7.992 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.074 7.530 0.793 1.00 0.00 H new ATOM 166 N LYS A 27 4.818 8.515 4.233 1.00 0.00 N ATOM 167 CA LYS A 27 5.668 8.052 5.312 1.00 0.00 C ATOM 168 C LYS A 27 6.273 6.796 4.675 1.00 0.00 C ATOM 169 O LYS A 27 5.474 5.948 4.271 1.00 0.00 O ATOM 170 CB LYS A 27 4.819 7.706 6.543 1.00 0.00 C ATOM 171 CG LYS A 27 4.053 8.928 7.070 1.00 0.00 C ATOM 172 CD LYS A 27 3.128 8.572 8.246 1.00 0.00 C ATOM 173 CE LYS A 27 2.066 7.512 7.911 1.00 0.00 C ATOM 174 NZ LYS A 27 1.307 7.840 6.691 1.00 0.00 N ATOM 0 H LYS A 27 3.819 8.498 4.438 1.00 0.00 H new ATOM 0 HA LYS A 27 6.406 8.771 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.112 6.917 6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.463 7.314 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.764 9.691 7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.461 9.360 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.736 8.212 9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.627 9.478 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.551 6.544 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.376 7.416 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.571 7.122 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.863 8.774 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.951 7.856 5.875 1.00 0.00 H new ATOM 175 N PRO A 28 7.602 6.695 4.475 1.00 0.00 N ATOM 176 CA PRO A 28 8.237 5.561 3.815 1.00 0.00 C ATOM 177 C PRO A 28 7.497 4.261 4.108 1.00 0.00 C ATOM 178 O PRO A 28 7.471 3.829 5.260 1.00 0.00 O ATOM 179 CB PRO A 28 9.681 5.556 4.318 1.00 0.00 C ATOM 180 CG PRO A 28 9.957 7.052 4.472 1.00 0.00 C ATOM 181 CD PRO A 28 8.620 7.607 4.973 1.00 0.00 C ATOM 0 HA PRO A 28 8.211 5.648 2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.784 5.021 5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.361 5.085 3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.762 7.242 5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.252 7.506 3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.601 7.658 6.062 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.453 8.619 4.604 1.00 0.00 H new ATOM 182 N VAL A 29 6.829 3.682 3.095 1.00 0.00 N ATOM 183 CA VAL A 29 6.073 2.457 3.320 1.00 0.00 C ATOM 184 C VAL A 29 7.059 1.447 3.943 1.00 0.00 C ATOM 185 O VAL A 29 6.703 0.716 4.866 1.00 0.00 O ATOM 186 CB VAL A 29 5.364 1.963 2.046 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.854 0.535 2.241 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.099 2.796 1.795 1.00 0.00 C ATOM 0 H VAL A 29 6.802 4.038 2.139 1.00 0.00 H new ATOM 0 HA VAL A 29 5.243 2.617 4.008 1.00 0.00 H new ATOM 0 HB VAL A 29 6.083 2.036 1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.355 0.200 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.694 -0.125 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.149 0.511 3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.603 2.441 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.423 2.696 2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.372 3.844 1.671 1.00 0.00 H new ATOM 189 N LYS A 30 8.313 1.425 3.463 1.00 0.00 N ATOM 190 CA LYS A 30 9.377 0.625 4.044 1.00 0.00 C ATOM 191 C LYS A 30 9.590 1.037 5.493 1.00 0.00 C ATOM 192 O LYS A 30 10.318 1.978 5.808 1.00 0.00 O ATOM 193 CB LYS A 30 10.669 0.845 3.271 1.00 0.00 C ATOM 194 CG LYS A 30 11.947 0.200 3.843 1.00 0.00 C ATOM 195 CD LYS A 30 13.063 0.229 2.789 1.00 0.00 C ATOM 196 CE LYS A 30 14.251 -0.662 3.169 1.00 0.00 C ATOM 197 NZ LYS A 30 13.909 -2.097 3.112 1.00 0.00 N ATOM 0 H LYS A 30 8.608 1.971 2.653 1.00 0.00 H new ATOM 0 HA LYS A 30 9.098 -0.427 3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.525 0.470 2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.838 1.919 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.266 0.735 4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.744 -0.828 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.661 -0.096 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.409 1.254 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.084 -0.461 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.586 -0.409 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.771 -2.665 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.228 -2.322 3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.487 -2.317 2.187 1.00 0.00 H new ATOM 198 N GLY A 31 8.926 0.298 6.360 1.00 0.00 N ATOM 199 CA GLY A 31 8.978 0.476 7.792 1.00 0.00 C ATOM 200 C GLY A 31 7.609 0.339 8.437 1.00 0.00 C ATOM 201 O GLY A 31 7.542 -0.105 9.583 1.00 0.00 O ATOM 0 H GLY A 31 8.316 -0.468 6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.656 -0.260 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.388 1.460 8.020 1.00 0.00 H new ATOM 202 N GLN A 32 6.515 0.726 7.760 1.00 0.00 N ATOM 203 CA GLN A 32 5.224 0.614 8.393 1.00 0.00 C ATOM 204 C GLN A 32 4.832 -0.869 8.537 1.00 0.00 C ATOM 205 O GLN A 32 5.252 -1.712 7.749 1.00 0.00 O ATOM 206 CB GLN A 32 4.209 1.585 7.761 1.00 0.00 C ATOM 207 CG GLN A 32 4.452 2.196 6.365 1.00 0.00 C ATOM 208 CD GLN A 32 3.286 3.074 5.865 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.140 2.761 6.170 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.516 4.139 5.077 1.00 0.00 N ATOM 0 H GLN A 32 6.511 1.103 6.812 1.00 0.00 H new ATOM 0 HA GLN A 32 5.249 0.962 9.426 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.253 1.063 7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.088 2.416 8.456 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.362 2.796 6.393 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.623 1.391 5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.472 4.392 4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.734 4.694 4.728 1.00 0.00 H new ATOM 211 N GLY A 33 4.083 -1.192 9.599 1.00 0.00 N ATOM 212 CA GLY A 33 3.715 -2.560 9.971 1.00 0.00 C ATOM 213 C GLY A 33 2.451 -3.095 9.304 1.00 0.00 C ATOM 214 O GLY A 33 1.530 -2.336 9.033 1.00 0.00 O ATOM 0 H GLY A 33 3.708 -0.491 10.238 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.545 -3.222 9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.582 -2.603 11.052 1.00 0.00 H new ATOM 215 N ALA A 34 2.389 -4.415 9.093 1.00 0.00 N ATOM 216 CA ALA A 34 1.314 -5.157 8.443 1.00 0.00 C ATOM 217 C ALA A 34 -0.057 -4.745 8.939 1.00 0.00 C ATOM 218 O ALA A 34 -0.940 -4.477 8.135 1.00 0.00 O ATOM 219 CB ALA A 34 1.486 -6.663 8.687 1.00 0.00 C ATOM 0 H ALA A 34 3.144 -5.031 9.395 1.00 0.00 H new ATOM 0 HA ALA A 34 1.378 -4.928 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.678 -7.206 8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.442 -6.991 8.279 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.460 -6.863 9.758 1.00 0.00 H new ATOM 220 N GLU A 35 -0.241 -4.722 10.258 1.00 0.00 N ATOM 221 CA GLU A 35 -1.523 -4.347 10.841 1.00 0.00 C ATOM 222 C GLU A 35 -1.919 -2.959 10.335 1.00 0.00 C ATOM 223 O GLU A 35 -3.038 -2.750 9.871 1.00 0.00 O ATOM 224 CB GLU A 35 -1.421 -4.393 12.372 1.00 0.00 C ATOM 225 CG GLU A 35 -2.780 -4.137 13.036 1.00 0.00 C ATOM 226 CD GLU A 35 -2.679 -4.245 14.554 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.175 -3.274 15.157 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.094 -5.300 15.079 1.00 0.00 O ATOM 0 H GLU A 35 0.480 -4.958 10.939 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.301 -5.049 10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.041 -5.366 12.683 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.703 -3.647 12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.141 -3.146 12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.511 -4.856 12.665 1.00 0.00 H new ATOM 229 N GLU A 36 -0.967 -2.027 10.399 1.00 0.00 N ATOM 230 CA GLU A 36 -1.142 -0.657 9.964 1.00 0.00 C ATOM 231 C GLU A 36 -1.508 -0.660 8.479 1.00 0.00 C ATOM 232 O GLU A 36 -2.590 -0.231 8.088 1.00 0.00 O ATOM 233 CB GLU A 36 0.169 0.109 10.244 1.00 0.00 C ATOM 234 CG GLU A 36 -0.069 1.602 10.491 1.00 0.00 C ATOM 235 CD GLU A 36 -0.836 1.858 11.785 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.229 1.632 12.854 1.00 0.00 O ATOM 237 OE2 GLU A 36 -2.011 2.270 11.680 1.00 0.00 O ATOM 0 H GLU A 36 -0.034 -2.217 10.765 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.948 -0.159 10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.663 -0.326 11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.846 -0.013 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.890 2.119 10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.624 2.023 9.653 1.00 0.00 H new ATOM 238 N LEU A 37 -0.605 -1.198 7.661 1.00 0.00 N ATOM 239 CA LEU A 37 -0.731 -1.294 6.224 1.00 0.00 C ATOM 240 C LEU A 37 -2.067 -1.915 5.803 1.00 0.00 C ATOM 241 O LEU A 37 -2.710 -1.430 4.876 1.00 0.00 O ATOM 242 CB LEU A 37 0.454 -2.091 5.643 1.00 0.00 C ATOM 243 CG LEU A 37 1.833 -1.451 5.900 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.974 -2.470 5.850 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.132 -0.426 4.817 1.00 0.00 C ATOM 0 H LEU A 37 0.270 -1.594 8.006 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.712 -0.282 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.446 -3.094 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.311 -2.200 4.568 1.00 0.00 H new ATOM 0 HG LEU A 37 1.781 -1.007 6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.921 -1.965 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.813 -3.234 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.001 -2.938 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.107 0.024 5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.137 -0.916 3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.366 0.350 4.829 1.00 0.00 H new ATOM 246 N TYR A 38 -2.501 -2.977 6.480 1.00 0.00 N ATOM 247 CA TYR A 38 -3.728 -3.680 6.172 1.00 0.00 C ATOM 248 C TYR A 38 -4.930 -2.854 6.571 1.00 0.00 C ATOM 249 O TYR A 38 -5.899 -2.779 5.826 1.00 0.00 O ATOM 250 CB TYR A 38 -3.740 -4.996 6.939 1.00 0.00 C ATOM 251 CG TYR A 38 -5.017 -5.797 6.781 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.251 -6.553 5.617 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.032 -5.673 7.749 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.479 -7.216 5.442 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.270 -6.307 7.557 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.491 -7.084 6.410 1.00 0.00 C ATOM 257 OH TYR A 38 -8.693 -7.705 6.258 1.00 0.00 O ATOM 0 H TYR A 38 -1.994 -3.374 7.271 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.777 -3.864 5.099 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.899 -5.605 6.606 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.584 -4.788 7.997 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.487 -6.624 4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.858 -5.089 8.641 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.645 -7.825 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.053 -6.196 8.293 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.639 -8.346 5.518 1.00 0.00 H new ATOM 258 N LYS A 39 -4.876 -2.257 7.759 1.00 0.00 N ATOM 259 CA LYS A 39 -5.982 -1.448 8.244 1.00 0.00 C ATOM 260 C LYS A 39 -6.179 -0.276 7.288 1.00 0.00 C ATOM 261 O LYS A 39 -7.300 0.066 6.910 1.00 0.00 O ATOM 262 CB LYS A 39 -5.673 -0.979 9.675 1.00 0.00 C ATOM 263 CG LYS A 39 -6.729 -0.046 10.284 1.00 0.00 C ATOM 264 CD LYS A 39 -8.115 -0.704 10.360 1.00 0.00 C ATOM 265 CE LYS A 39 -9.130 0.188 11.085 1.00 0.00 C ATOM 266 NZ LYS A 39 -8.781 0.390 12.503 1.00 0.00 N ATOM 0 H LYS A 39 -4.083 -2.320 8.397 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.908 -2.023 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.568 -1.855 10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.711 -0.467 9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.415 0.250 11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.794 0.864 9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.472 -0.916 9.352 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.036 -1.660 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.184 1.155 10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.120 -0.262 11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.592 0.806 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.539 -0.525 12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.965 1.032 12.572 1.00 0.00 H new ATOM 267 N LYS A 40 -5.066 0.317 6.863 1.00 0.00 N ATOM 268 CA LYS A 40 -5.067 1.455 5.988 1.00 0.00 C ATOM 269 C LYS A 40 -5.531 1.054 4.587 1.00 0.00 C ATOM 270 O LYS A 40 -6.363 1.751 4.007 1.00 0.00 O ATOM 271 CB LYS A 40 -3.666 2.047 6.056 1.00 0.00 C ATOM 272 CG LYS A 40 -3.496 2.787 7.395 1.00 0.00 C ATOM 273 CD LYS A 40 -2.166 3.536 7.421 1.00 0.00 C ATOM 274 CE LYS A 40 -2.006 4.421 8.658 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.762 5.205 8.562 1.00 0.00 N ATOM 0 H LYS A 40 -4.132 0.005 7.129 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.779 2.223 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.920 1.258 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.507 2.733 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.319 3.488 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.537 2.075 8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.348 2.816 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.084 4.153 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.861 5.091 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.988 3.804 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.825 6.034 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.044 4.614 8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.626 5.522 7.581 1.00 0.00 H new ATOM 276 N MET A 41 -5.039 -0.062 4.037 1.00 0.00 N ATOM 277 CA MET A 41 -5.499 -0.505 2.731 1.00 0.00 C ATOM 278 C MET A 41 -6.970 -0.887 2.803 1.00 0.00 C ATOM 279 O MET A 41 -7.698 -0.586 1.871 1.00 0.00 O ATOM 280 CB MET A 41 -4.682 -1.678 2.205 1.00 0.00 C ATOM 281 CG MET A 41 -3.405 -1.168 1.541 1.00 0.00 C ATOM 282 SD MET A 41 -2.494 -2.415 0.605 1.00 0.00 S ATOM 283 CE MET A 41 -1.968 -3.459 1.972 1.00 0.00 C ATOM 0 H MET A 41 -4.336 -0.660 4.472 1.00 0.00 H new ATOM 0 HA MET A 41 -5.367 0.324 2.036 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.432 -2.354 3.023 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.271 -2.250 1.488 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.662 -0.347 0.872 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.750 -0.759 2.310 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.046 -3.974 1.702 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.795 -2.843 2.854 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.744 -4.193 2.189 1.00 0.00 H new ATOM 284 N LYS A 42 -7.421 -1.557 3.866 1.00 0.00 N ATOM 285 CA LYS A 42 -8.832 -1.889 4.022 1.00 0.00 C ATOM 286 C LYS A 42 -9.605 -0.571 4.013 1.00 0.00 C ATOM 287 O LYS A 42 -10.683 -0.475 3.431 1.00 0.00 O ATOM 288 CB LYS A 42 -9.044 -2.711 5.303 1.00 0.00 C ATOM 289 CG LYS A 42 -10.525 -3.052 5.527 1.00 0.00 C ATOM 290 CD LYS A 42 -11.205 -2.041 6.465 1.00 0.00 C ATOM 291 CE LYS A 42 -12.727 -2.040 6.286 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.124 -1.435 5.001 1.00 0.00 N ATOM 0 H LYS A 42 -6.826 -1.879 4.630 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.198 -2.516 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.465 -3.632 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.667 -2.152 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.044 -3.066 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.608 -4.053 5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.960 -2.282 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.814 -1.042 6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.100 -3.063 6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.190 -1.490 7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.773 -0.641 5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.279 -1.088 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.601 -2.149 4.414 1.00 0.00 H new ATOM 293 N GLY A 43 -9.043 0.454 4.656 1.00 0.00 N ATOM 294 CA GLY A 43 -9.626 1.773 4.654 1.00 0.00 C ATOM 295 C GLY A 43 -9.769 2.254 3.208 1.00 0.00 C ATOM 296 O GLY A 43 -10.888 2.415 2.729 1.00 0.00 O ATOM 0 H GLY A 43 -8.175 0.382 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.600 1.754 5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.999 2.462 5.220 1.00 0.00 H new ATOM 297 N TYR A 44 -8.653 2.440 2.491 1.00 0.00 N ATOM 298 CA TYR A 44 -8.669 2.913 1.108 1.00 0.00 C ATOM 299 C TYR A 44 -9.545 2.034 0.207 1.00 0.00 C ATOM 300 O TYR A 44 -10.210 2.563 -0.677 1.00 0.00 O ATOM 301 CB TYR A 44 -7.245 2.976 0.539 1.00 0.00 C ATOM 302 CG TYR A 44 -6.300 3.994 1.155 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.642 5.362 1.220 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.983 3.602 1.456 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.700 6.302 1.674 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.030 4.552 1.849 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.390 5.898 1.979 1.00 0.00 C ATOM 308 OH TYR A 44 -3.467 6.785 2.440 1.00 0.00 O ATOM 0 H TYR A 44 -7.717 2.266 2.856 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.099 3.914 1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.795 1.989 0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.316 3.182 -0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.628 5.687 0.921 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.704 2.561 1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.985 7.338 1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.015 4.244 2.052 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.871 7.347 3.134 1.00 0.00 H new ATOM 309 N ALA A 45 -9.576 0.715 0.428 1.00 0.00 N ATOM 310 CA ALA A 45 -10.372 -0.241 -0.339 1.00 0.00 C ATOM 311 C ALA A 45 -11.808 0.280 -0.453 1.00 0.00 C ATOM 312 O ALA A 45 -12.413 0.208 -1.520 1.00 0.00 O ATOM 313 CB ALA A 45 -10.371 -1.619 0.329 1.00 0.00 C ATOM 0 H ALA A 45 -9.031 0.273 1.168 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.933 -0.347 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.971 -2.311 -0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.348 -1.990 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.793 -1.538 1.331 1.00 0.00 H new ATOM 314 N ASP A 46 -12.329 0.825 0.655 1.00 0.00 N ATOM 315 CA ASP A 46 -13.674 1.386 0.749 1.00 0.00 C ATOM 316 C ASP A 46 -13.626 2.904 0.987 1.00 0.00 C ATOM 317 O ASP A 46 -14.558 3.463 1.559 1.00 0.00 O ATOM 318 CB ASP A 46 -14.423 0.675 1.886 1.00 0.00 C ATOM 319 CG ASP A 46 -14.590 -0.817 1.617 1.00 0.00 C ATOM 320 OD1 ASP A 46 -15.547 -1.157 0.888 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.764 -1.590 2.148 1.00 0.00 O ATOM 0 H ASP A 46 -11.809 0.887 1.530 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.200 1.227 -0.192 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.881 0.816 2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.404 1.132 2.015 1.00 0.00 H new ATOM 322 N GLY A 47 -12.545 3.579 0.574 1.00 0.00 N ATOM 323 CA GLY A 47 -12.345 5.019 0.728 1.00 0.00 C ATOM 324 C GLY A 47 -12.571 5.531 2.157 1.00 0.00 C ATOM 325 O GLY A 47 -12.880 6.704 2.350 1.00 0.00 O ATOM 0 H GLY A 47 -11.762 3.119 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.330 5.270 0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.022 5.544 0.054 1.00 0.00 H new ATOM 326 N SER A 48 -12.367 4.672 3.159 1.00 0.00 N ATOM 327 CA SER A 48 -12.564 4.955 4.574 1.00 0.00 C ATOM 328 C SER A 48 -11.235 5.250 5.285 1.00 0.00 C ATOM 329 O SER A 48 -11.078 4.921 6.461 1.00 0.00 O ATOM 330 CB SER A 48 -13.303 3.758 5.194 1.00 0.00 C ATOM 331 OG SER A 48 -13.600 3.989 6.556 1.00 0.00 O ATOM 0 H SER A 48 -12.045 3.718 2.993 1.00 0.00 H new ATOM 0 HA SER A 48 -13.164 5.857 4.696 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.226 3.573 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.691 2.861 5.100 1.00 0.00 H new ATOM 0 HG SER A 48 -12.813 4.364 7.004 1.00 0.00 H new ATOM 332 N TYR A 49 -10.273 5.847 4.580 1.00 0.00 N ATOM 333 CA TYR A 49 -8.974 6.258 5.095 1.00 0.00 C ATOM 334 C TYR A 49 -8.430 7.274 4.096 1.00 0.00 C ATOM 335 O TYR A 49 -8.904 7.306 2.959 1.00 0.00 O ATOM 336 CB TYR A 49 -8.041 5.056 5.287 1.00 0.00 C ATOM 337 CG TYR A 49 -6.651 5.407 5.785 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.493 6.156 6.967 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.519 5.078 5.018 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.234 6.683 7.303 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.256 5.589 5.366 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.122 6.432 6.482 1.00 0.00 C ATOM 343 OH TYR A 49 -2.909 6.947 6.827 1.00 0.00 O ATOM 0 H TYR A 49 -10.387 6.065 3.590 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.056 6.706 6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.501 4.365 5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.950 4.528 4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.340 6.326 7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.620 4.431 4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.121 7.282 8.194 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.389 5.333 4.775 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.218 6.582 6.235 1.00 0.00 H new ATOM 344 N GLY A 50 -7.475 8.113 4.514 1.00 0.00 N ATOM 345 CA GLY A 50 -6.926 9.151 3.661 1.00 0.00 C ATOM 346 C GLY A 50 -5.412 9.267 3.676 1.00 0.00 C ATOM 347 O GLY A 50 -4.699 8.454 4.257 1.00 0.00 O ATOM 0 H GLY A 50 -7.069 8.085 5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.250 8.966 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.351 10.109 3.962 1.00 0.00 H new ATOM 348 N GLY A 51 -4.943 10.289 2.968 1.00 0.00 N ATOM 349 CA GLY A 51 -3.600 10.697 2.726 1.00 0.00 C ATOM 350 C GLY A 51 -3.648 11.780 1.660 1.00 0.00 C ATOM 351 O GLY A 51 -4.719 12.053 1.110 1.00 0.00 O ATOM 0 H GLY A 51 -5.595 10.918 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.142 11.076 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.995 9.854 2.392 1.00 0.00 H new ATOM 352 N GLU A 52 -2.490 12.373 1.387 1.00 0.00 N ATOM 353 CA GLU A 52 -2.294 13.434 0.408 1.00 0.00 C ATOM 354 C GLU A 52 -2.990 13.076 -0.907 1.00 0.00 C ATOM 355 O GLU A 52 -3.655 13.928 -1.492 1.00 0.00 O ATOM 356 CB GLU A 52 -0.785 13.675 0.223 1.00 0.00 C ATOM 357 CG GLU A 52 -0.446 14.993 -0.499 1.00 0.00 C ATOM 358 CD GLU A 52 -0.713 14.967 -2.003 1.00 0.00 C ATOM 359 OE1 GLU A 52 -0.380 13.933 -2.622 1.00 0.00 O ATOM 360 OE2 GLU A 52 -1.220 15.988 -2.513 1.00 0.00 O ATOM 0 H GLU A 52 -1.626 12.115 1.863 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.744 14.361 0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.305 13.674 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.361 12.844 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.027 15.800 -0.052 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.605 15.226 -0.331 1.00 0.00 H new ATOM 361 N ARG A 53 -2.853 11.825 -1.363 1.00 0.00 N ATOM 362 CA ARG A 53 -3.489 11.366 -2.594 1.00 0.00 C ATOM 363 C ARG A 53 -4.292 10.089 -2.344 1.00 0.00 C ATOM 364 O ARG A 53 -4.215 9.121 -3.103 1.00 0.00 O ATOM 365 CB ARG A 53 -2.446 11.253 -3.712 1.00 0.00 C ATOM 366 CG ARG A 53 -1.337 10.230 -3.448 1.00 0.00 C ATOM 367 CD ARG A 53 -0.008 10.742 -4.009 1.00 0.00 C ATOM 368 NE ARG A 53 -0.086 11.030 -5.449 1.00 0.00 N ATOM 369 CZ ARG A 53 0.024 12.233 -6.034 1.00 0.00 C ATOM 370 NH1 ARG A 53 0.091 13.362 -5.317 1.00 0.00 N ATOM 371 NH2 ARG A 53 0.062 12.300 -7.368 1.00 0.00 N ATOM 0 H ARG A 53 -2.301 11.110 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.218 12.100 -2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.954 10.988 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.991 12.231 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.244 10.050 -2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.593 9.277 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.286 11.646 -3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.770 9.999 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.240 10.233 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.059 13.322 -4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.174 14.262 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.008 11.446 -7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.145 13.205 -7.831 1.00 0.00 H new ATOM 372 N LYS A 54 -5.121 10.131 -1.293 1.00 0.00 N ATOM 373 CA LYS A 54 -6.021 9.061 -0.891 1.00 0.00 C ATOM 374 C LYS A 54 -6.779 8.477 -2.091 1.00 0.00 C ATOM 375 O LYS A 54 -7.047 7.281 -2.135 1.00 0.00 O ATOM 376 CB LYS A 54 -7.047 9.625 0.102 1.00 0.00 C ATOM 377 CG LYS A 54 -7.953 10.751 -0.427 1.00 0.00 C ATOM 378 CD LYS A 54 -8.837 11.359 0.673 1.00 0.00 C ATOM 379 CE LYS A 54 -9.812 10.367 1.327 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.648 9.657 0.342 1.00 0.00 N ATOM 0 H LYS A 54 -5.180 10.945 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.424 8.268 -0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.681 8.806 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.511 9.998 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.335 11.534 -0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.586 10.360 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.195 11.781 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.408 12.184 0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.247 9.639 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.456 10.903 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.332 9.052 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.158 10.349 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.044 9.068 -0.266 1.00 0.00 H new ATOM 381 N ALA A 55 -7.165 9.340 -3.040 1.00 0.00 N ATOM 382 CA ALA A 55 -7.907 8.976 -4.237 1.00 0.00 C ATOM 383 C ALA A 55 -7.082 8.045 -5.121 1.00 0.00 C ATOM 384 O ALA A 55 -7.569 6.995 -5.535 1.00 0.00 O ATOM 385 CB ALA A 55 -8.294 10.249 -4.995 1.00 0.00 C ATOM 0 H ALA A 55 -6.960 10.338 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.813 8.441 -3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.851 9.982 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.915 10.878 -4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.393 10.794 -5.275 1.00 0.00 H new ATOM 386 N MET A 56 -5.836 8.423 -5.419 1.00 0.00 N ATOM 387 CA MET A 56 -4.948 7.606 -6.232 1.00 0.00 C ATOM 388 C MET A 56 -4.765 6.271 -5.515 1.00 0.00 C ATOM 389 O MET A 56 -4.846 5.211 -6.133 1.00 0.00 O ATOM 390 CB MET A 56 -3.600 8.312 -6.442 1.00 0.00 C ATOM 391 CG MET A 56 -3.657 9.479 -7.439 1.00 0.00 C ATOM 392 SD MET A 56 -4.667 10.921 -6.995 1.00 0.00 S ATOM 393 CE MET A 56 -6.127 10.619 -8.018 1.00 0.00 C ATOM 0 H MET A 56 -5.422 9.300 -5.103 1.00 0.00 H new ATOM 0 HA MET A 56 -5.377 7.444 -7.221 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.243 8.684 -5.482 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.870 7.583 -6.793 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.637 9.824 -7.610 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.026 9.091 -8.389 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.851 11.419 -7.863 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.836 10.591 -9.068 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.575 9.665 -7.740 1.00 0.00 H new ATOM 394 N MET A 57 -4.556 6.331 -4.196 1.00 0.00 N ATOM 395 CA MET A 57 -4.401 5.134 -3.389 1.00 0.00 C ATOM 396 C MET A 57 -5.628 4.234 -3.567 1.00 0.00 C ATOM 397 O MET A 57 -5.508 3.097 -4.012 1.00 0.00 O ATOM 398 CB MET A 57 -4.141 5.536 -1.927 1.00 0.00 C ATOM 399 CG MET A 57 -2.636 5.507 -1.634 1.00 0.00 C ATOM 400 SD MET A 57 -1.830 3.928 -2.012 1.00 0.00 S ATOM 401 CE MET A 57 -2.731 2.768 -0.962 1.00 0.00 C ATOM 0 H MET A 57 -4.491 7.203 -3.670 1.00 0.00 H new ATOM 0 HA MET A 57 -3.539 4.552 -3.714 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.537 6.534 -1.740 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.664 4.855 -1.256 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.151 6.296 -2.209 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.479 5.738 -0.580 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.511 1.747 -1.275 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.425 2.903 0.075 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.802 2.952 -1.051 1.00 0.00 H new ATOM 402 N THR A 58 -6.815 4.746 -3.250 1.00 0.00 N ATOM 403 CA THR A 58 -8.093 4.075 -3.427 1.00 0.00 C ATOM 404 C THR A 58 -8.164 3.485 -4.837 1.00 0.00 C ATOM 405 O THR A 58 -8.576 2.345 -4.993 1.00 0.00 O ATOM 406 CB THR A 58 -9.229 5.081 -3.174 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.155 5.542 -1.838 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.612 4.465 -3.410 1.00 0.00 C ATOM 0 H THR A 58 -6.913 5.678 -2.847 1.00 0.00 H new ATOM 0 HA THR A 58 -8.198 3.257 -2.715 1.00 0.00 H new ATOM 0 HB THR A 58 -9.103 5.903 -3.878 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.460 6.229 -1.767 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.381 5.213 -3.219 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.687 4.123 -4.442 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.753 3.619 -2.737 1.00 0.00 H new ATOM 409 N ASN A 59 -7.745 4.219 -5.870 1.00 0.00 N ATOM 410 CA ASN A 59 -7.770 3.700 -7.235 1.00 0.00 C ATOM 411 C ASN A 59 -6.830 2.494 -7.370 1.00 0.00 C ATOM 412 O ASN A 59 -7.163 1.538 -8.068 1.00 0.00 O ATOM 413 CB ASN A 59 -7.380 4.803 -8.229 1.00 0.00 C ATOM 414 CG ASN A 59 -7.828 4.536 -9.669 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.164 5.474 -10.384 1.00 0.00 O ATOM 416 ND2 ASN A 59 -7.855 3.291 -10.138 1.00 0.00 N ATOM 0 H ASN A 59 -7.386 5.170 -5.786 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.783 3.370 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.811 5.747 -7.895 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.297 4.924 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.156 3.113 -11.096 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.575 2.514 -9.539 1.00 0.00 H new ATOM 417 N ALA A 60 -5.651 2.538 -6.744 1.00 0.00 N ATOM 418 CA ALA A 60 -4.674 1.456 -6.808 1.00 0.00 C ATOM 419 C ALA A 60 -5.121 0.230 -6.004 1.00 0.00 C ATOM 420 O ALA A 60 -4.798 -0.896 -6.375 1.00 0.00 O ATOM 421 CB ALA A 60 -3.328 1.953 -6.261 1.00 0.00 C ATOM 0 H ALA A 60 -5.349 3.330 -6.177 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.578 1.157 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.596 1.147 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.980 2.794 -6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.451 2.272 -5.226 1.00 0.00 H new ATOM 422 N VAL A 61 -5.836 0.460 -4.901 1.00 0.00 N ATOM 423 CA VAL A 61 -6.300 -0.535 -3.940 1.00 0.00 C ATOM 424 C VAL A 61 -7.651 -1.174 -4.284 1.00 0.00 C ATOM 425 O VAL A 61 -7.771 -2.400 -4.219 1.00 0.00 O ATOM 426 CB VAL A 61 -6.335 0.181 -2.574 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.952 -0.632 -1.443 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.924 0.542 -2.097 1.00 0.00 C ATOM 0 H VAL A 61 -6.122 1.404 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.618 -1.385 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.954 1.057 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.933 -0.048 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.983 -0.880 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.382 -1.550 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.984 1.045 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.330 -0.367 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.453 1.205 -2.823 1.00 0.00 H new ATOM 429 N LYS A 62 -8.667 -0.368 -4.608 1.00 0.00 N ATOM 430 CA LYS A 62 -10.035 -0.782 -4.914 1.00 0.00 C ATOM 431 C LYS A 62 -10.098 -1.543 -6.244 1.00 0.00 C ATOM 432 O LYS A 62 -10.633 -1.078 -7.249 1.00 0.00 O ATOM 433 CB LYS A 62 -10.947 0.453 -4.903 1.00 0.00 C ATOM 434 CG LYS A 62 -12.432 0.061 -4.888 1.00 0.00 C ATOM 435 CD LYS A 62 -13.352 1.289 -4.834 1.00 0.00 C ATOM 436 CE LYS A 62 -13.160 2.251 -6.016 1.00 0.00 C ATOM 437 NZ LYS A 62 -13.205 1.552 -7.313 1.00 0.00 N ATOM 0 H LYS A 62 -8.548 0.643 -4.666 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.388 -1.476 -4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.723 1.063 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.741 1.066 -5.781 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.661 -0.524 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.629 -0.578 -4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.389 0.955 -4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.171 1.828 -3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.936 3.016 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.203 2.764 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.225 2.250 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.363 0.950 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.060 0.961 -7.360 1.00 0.00 H new ATOM 438 N LYS A 63 -9.538 -2.744 -6.195 1.00 0.00 N ATOM 439 CA LYS A 63 -9.401 -3.749 -7.219 1.00 0.00 C ATOM 440 C LYS A 63 -8.967 -5.058 -6.540 1.00 0.00 C ATOM 441 O LYS A 63 -9.303 -6.135 -7.026 1.00 0.00 O ATOM 442 CB LYS A 63 -8.428 -3.284 -8.306 1.00 0.00 C ATOM 443 CG LYS A 63 -7.167 -2.541 -7.839 1.00 0.00 C ATOM 444 CD LYS A 63 -6.411 -1.945 -9.039 1.00 0.00 C ATOM 445 CE LYS A 63 -5.966 -2.976 -10.083 1.00 0.00 C ATOM 446 NZ LYS A 63 -5.147 -4.042 -9.483 1.00 0.00 N ATOM 0 H LYS A 63 -9.120 -3.068 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.349 -3.921 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.115 -4.158 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.971 -2.633 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.443 -1.746 -7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.515 -3.226 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.049 -1.207 -9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.532 -1.415 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.844 -3.415 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.396 -2.477 -10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.519 -4.446 -10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.575 -3.647 -8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.768 -4.787 -9.108 1.00 0.00 H new ATOM 447 N TYR A 64 -8.217 -4.985 -5.428 1.00 0.00 N ATOM 448 CA TYR A 64 -7.817 -6.140 -4.667 1.00 0.00 C ATOM 449 C TYR A 64 -9.008 -6.638 -3.851 1.00 0.00 C ATOM 450 O TYR A 64 -10.165 -6.257 -4.022 1.00 0.00 O ATOM 451 CB TYR A 64 -6.636 -5.713 -3.773 1.00 0.00 C ATOM 452 CG TYR A 64 -5.419 -5.227 -4.530 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.001 -5.865 -5.713 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.800 -4.030 -4.134 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.154 -5.190 -6.606 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.938 -3.370 -5.017 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.722 -3.891 -6.302 1.00 0.00 C ATOM 458 OH TYR A 64 -3.375 -3.053 -7.316 1.00 0.00 O ATOM 0 H TYR A 64 -7.877 -4.104 -5.043 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.498 -6.963 -5.307 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.972 -4.921 -3.103 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.346 -6.558 -3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.331 -6.870 -5.933 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.988 -3.621 -3.152 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.837 -5.668 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.440 -2.462 -4.710 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.804 -2.182 -7.182 1.00 0.00 H new ATOM 459 N SER A 65 -8.682 -7.547 -2.955 1.00 0.00 N ATOM 460 CA SER A 65 -9.545 -8.221 -2.007 1.00 0.00 C ATOM 461 C SER A 65 -8.676 -8.615 -0.818 1.00 0.00 C ATOM 462 O SER A 65 -7.451 -8.625 -0.944 1.00 0.00 O ATOM 463 CB SER A 65 -10.201 -9.416 -2.698 1.00 0.00 C ATOM 464 OG SER A 65 -11.155 -8.943 -3.631 1.00 0.00 O ATOM 0 H SER A 65 -7.716 -7.862 -2.864 1.00 0.00 H new ATOM 0 HA SER A 65 -10.356 -7.588 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.447 -10.019 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.682 -10.059 -1.961 1.00 0.00 H new ATOM 0 HG SER A 65 -11.037 -7.979 -3.759 1.00 0.00 H new ATOM 465 N ASP A 66 -9.309 -8.916 0.319 1.00 0.00 N ATOM 466 CA ASP A 66 -8.670 -9.271 1.583 1.00 0.00 C ATOM 467 C ASP A 66 -7.356 -10.038 1.428 1.00 0.00 C ATOM 468 O ASP A 66 -6.348 -9.639 2.000 1.00 0.00 O ATOM 469 CB ASP A 66 -9.648 -10.101 2.423 1.00 0.00 C ATOM 470 CG ASP A 66 -8.968 -10.611 3.688 1.00 0.00 C ATOM 471 OD1 ASP A 66 -8.699 -9.760 4.562 1.00 0.00 O ATOM 472 OD2 ASP A 66 -8.702 -11.830 3.741 1.00 0.00 O ATOM 0 H ASP A 66 -10.327 -8.918 0.383 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.416 -8.332 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.514 -9.494 2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.016 -10.943 1.837 1.00 0.00 H new ATOM 473 N GLU A 67 -7.364 -11.127 0.658 1.00 0.00 N ATOM 474 CA GLU A 67 -6.179 -11.956 0.475 1.00 0.00 C ATOM 475 C GLU A 67 -5.040 -11.138 -0.149 1.00 0.00 C ATOM 476 O GLU A 67 -3.923 -11.123 0.363 1.00 0.00 O ATOM 477 CB GLU A 67 -6.571 -13.196 -0.348 1.00 0.00 C ATOM 478 CG GLU A 67 -5.507 -14.305 -0.331 1.00 0.00 C ATOM 479 CD GLU A 67 -4.511 -14.182 -1.477 1.00 0.00 C ATOM 480 OE1 GLU A 67 -4.865 -14.606 -2.597 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.401 -13.654 -1.248 1.00 0.00 O ATOM 0 H GLU A 67 -8.185 -11.454 0.149 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.796 -12.304 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.508 -13.597 0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.754 -12.895 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.970 -14.273 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.999 -15.276 -0.386 1.00 0.00 H new ATOM 482 N GLU A 68 -5.320 -10.443 -1.252 1.00 0.00 N ATOM 483 CA GLU A 68 -4.348 -9.608 -1.938 1.00 0.00 C ATOM 484 C GLU A 68 -3.869 -8.499 -0.995 1.00 0.00 C ATOM 485 O GLU A 68 -2.668 -8.261 -0.902 1.00 0.00 O ATOM 486 CB GLU A 68 -4.984 -9.012 -3.202 1.00 0.00 C ATOM 487 CG GLU A 68 -5.131 -9.978 -4.386 1.00 0.00 C ATOM 488 CD GLU A 68 -5.922 -11.237 -4.050 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.014 -11.088 -3.459 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.393 -12.325 -4.371 1.00 0.00 O ATOM 0 H GLU A 68 -6.239 -10.448 -1.695 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.487 -10.208 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.971 -8.628 -2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.384 -8.160 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.622 -9.459 -5.209 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.139 -10.264 -4.736 1.00 0.00 H new ATOM 491 N LEU A 69 -4.788 -7.824 -0.295 1.00 0.00 N ATOM 492 CA LEU A 69 -4.428 -6.753 0.632 1.00 0.00 C ATOM 493 C LEU A 69 -3.495 -7.283 1.719 1.00 0.00 C ATOM 494 O LEU A 69 -2.459 -6.686 2.005 1.00 0.00 O ATOM 495 CB LEU A 69 -5.683 -6.145 1.276 1.00 0.00 C ATOM 496 CG LEU A 69 -6.626 -5.454 0.281 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.759 -4.770 1.054 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.879 -4.424 -0.568 1.00 0.00 C ATOM 0 H LEU A 69 -5.790 -8.004 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.914 -5.975 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.231 -6.933 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.376 -5.422 2.032 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.035 -6.208 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.432 -4.277 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.312 -5.516 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.339 -4.030 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.574 -3.952 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.443 -3.665 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.087 -4.920 -1.129 1.00 0.00 H new ATOM 499 N LYS A 70 -3.868 -8.405 2.328 1.00 0.00 N ATOM 500 CA LYS A 70 -3.095 -9.046 3.373 1.00 0.00 C ATOM 501 C LYS A 70 -1.728 -9.459 2.830 1.00 0.00 C ATOM 502 O LYS A 70 -0.723 -9.272 3.511 1.00 0.00 O ATOM 503 CB LYS A 70 -3.893 -10.246 3.897 1.00 0.00 C ATOM 504 CG LYS A 70 -3.171 -10.993 5.026 1.00 0.00 C ATOM 505 CD LYS A 70 -4.084 -12.038 5.686 1.00 0.00 C ATOM 506 CE LYS A 70 -4.709 -13.030 4.694 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.694 -13.682 3.846 1.00 0.00 N ATOM 0 H LYS A 70 -4.732 -8.898 2.101 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.916 -8.359 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.863 -9.902 4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.084 -10.936 3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.283 -11.484 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.832 -10.279 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.509 -12.593 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.882 -11.523 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.264 -13.790 5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.426 -12.506 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.144 -14.426 3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.263 -12.976 3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.958 -14.104 4.448 1.00 0.00 H new ATOM 508 N ALA A 71 -1.672 -10.001 1.610 1.00 0.00 N ATOM 509 CA ALA A 71 -0.420 -10.432 1.021 1.00 0.00 C ATOM 510 C ALA A 71 0.465 -9.213 0.800 1.00 0.00 C ATOM 511 O ALA A 71 1.647 -9.234 1.142 1.00 0.00 O ATOM 512 CB ALA A 71 -0.690 -11.171 -0.288 1.00 0.00 C ATOM 0 H ALA A 71 -2.488 -10.148 1.016 1.00 0.00 H new ATOM 0 HA ALA A 71 0.096 -11.121 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.255 -11.492 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.314 -12.043 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.204 -10.506 -0.982 1.00 0.00 H new ATOM 513 N LEU A 72 -0.104 -8.142 0.240 1.00 0.00 N ATOM 514 CA LEU A 72 0.647 -6.928 0.017 1.00 0.00 C ATOM 515 C LEU A 72 1.191 -6.422 1.338 1.00 0.00 C ATOM 516 O LEU A 72 2.401 -6.313 1.486 1.00 0.00 O ATOM 517 CB LEU A 72 -0.297 -5.889 -0.570 1.00 0.00 C ATOM 518 CG LEU A 72 -0.309 -6.028 -2.083 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.401 -5.126 -2.600 1.00 0.00 C ATOM 520 CD2 LEU A 72 1.003 -5.512 -2.648 1.00 0.00 C ATOM 0 H LEU A 72 -1.077 -8.102 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 72 1.478 -7.116 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.302 -6.026 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.024 -4.887 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.458 -7.070 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.445 -5.195 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.358 -5.434 -2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.191 -4.097 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.996 -5.611 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.127 -4.463 -2.380 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.829 -6.091 -2.236 1.00 0.00 H new ATOM 521 N ALA A 73 0.306 -6.137 2.297 1.00 0.00 N ATOM 522 CA ALA A 73 0.716 -5.611 3.585 1.00 0.00 C ATOM 523 C ALA A 73 1.757 -6.522 4.221 1.00 0.00 C ATOM 524 O ALA A 73 2.680 -6.016 4.844 1.00 0.00 O ATOM 525 CB ALA A 73 -0.484 -5.502 4.532 1.00 0.00 C ATOM 0 H ALA A 73 -0.701 -6.265 2.197 1.00 0.00 H new ATOM 0 HA ALA A 73 1.141 -4.621 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.155 -5.105 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.229 -4.834 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.923 -6.489 4.678 1.00 0.00 H new ATOM 526 N ASP A 74 1.608 -7.846 4.113 1.00 0.00 N ATOM 527 CA ASP A 74 2.595 -8.771 4.651 1.00 0.00 C ATOM 528 C ASP A 74 3.945 -8.457 4.003 1.00 0.00 C ATOM 529 O ASP A 74 4.937 -8.276 4.707 1.00 0.00 O ATOM 530 CB ASP A 74 2.172 -10.220 4.393 1.00 0.00 C ATOM 531 CG ASP A 74 3.250 -11.191 4.857 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.256 -11.493 6.070 1.00 0.00 O ATOM 533 OD2 ASP A 74 4.049 -11.607 3.991 1.00 0.00 O ATOM 0 H ASP A 74 0.813 -8.295 3.658 1.00 0.00 H new ATOM 0 HA ASP A 74 2.676 -8.652 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.239 -10.429 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.981 -10.364 3.330 1.00 0.00 H new ATOM 534 N TYR A 75 3.974 -8.346 2.668 1.00 0.00 N ATOM 535 CA TYR A 75 5.202 -8.011 1.967 1.00 0.00 C ATOM 536 C TYR A 75 5.704 -6.644 2.451 1.00 0.00 C ATOM 537 O TYR A 75 6.808 -6.552 2.981 1.00 0.00 O ATOM 538 CB TYR A 75 5.022 -8.063 0.444 1.00 0.00 C ATOM 539 CG TYR A 75 6.333 -7.775 -0.263 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.334 -8.763 -0.243 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.661 -6.463 -0.659 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.651 -8.446 -0.614 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.986 -6.144 -1.018 1.00 0.00 C ATOM 544 CZ TYR A 75 8.986 -7.131 -0.969 1.00 0.00 C ATOM 545 OH TYR A 75 10.284 -6.845 -1.268 1.00 0.00 O ATOM 0 H TYR A 75 3.164 -8.484 2.064 1.00 0.00 H new ATOM 0 HA TYR A 75 5.960 -8.759 2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.653 -9.046 0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.270 -7.336 0.137 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.089 -9.770 0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.896 -5.701 -0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.408 -9.217 -0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.233 -5.140 -1.331 1.00 0.00 H new ATOM 0 HH TYR A 75 10.529 -5.984 -0.870 1.00 0.00 H new ATOM 546 N MET A 76 4.919 -5.572 2.291 1.00 0.00 N ATOM 547 CA MET A 76 5.323 -4.250 2.763 1.00 0.00 C ATOM 548 C MET A 76 5.803 -4.248 4.227 1.00 0.00 C ATOM 549 O MET A 76 6.724 -3.522 4.584 1.00 0.00 O ATOM 550 CB MET A 76 4.157 -3.288 2.563 1.00 0.00 C ATOM 551 CG MET A 76 3.961 -3.003 1.072 1.00 0.00 C ATOM 552 SD MET A 76 2.370 -3.493 0.380 1.00 0.00 S ATOM 553 CE MET A 76 1.328 -2.193 1.037 1.00 0.00 C ATOM 0 H MET A 76 4.005 -5.597 1.840 1.00 0.00 H new ATOM 0 HA MET A 76 6.184 -3.928 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.246 -3.716 2.982 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.347 -2.357 3.097 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.094 -1.934 0.905 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.749 -3.513 0.518 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.378 -2.183 0.503 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.147 -2.373 2.097 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.824 -1.231 0.912 1.00 0.00 H new ATOM 554 N SER A 77 5.210 -5.069 5.086 1.00 0.00 N ATOM 555 CA SER A 77 5.594 -5.136 6.488 1.00 0.00 C ATOM 556 C SER A 77 6.972 -5.759 6.704 1.00 0.00 C ATOM 557 O SER A 77 7.505 -5.585 7.799 1.00 0.00 O ATOM 558 CB SER A 77 4.564 -5.928 7.285 1.00 0.00 C ATOM 559 OG SER A 77 4.787 -5.756 8.677 1.00 0.00 O ATOM 0 H SER A 77 4.453 -5.703 4.830 1.00 0.00 H new ATOM 0 HA SER A 77 5.638 -4.105 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.559 -5.596 7.026 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.627 -6.985 7.027 1.00 0.00 H new ATOM 0 HG SER A 77 5.732 -5.551 8.834 1.00 0.00 H new ATOM 560 N LYS A 78 7.510 -6.540 5.757 1.00 0.00 N ATOM 561 CA LYS A 78 8.842 -7.113 5.928 1.00 0.00 C ATOM 562 C LYS A 78 9.906 -6.172 5.351 1.00 0.00 C ATOM 563 O LYS A 78 11.072 -6.557 5.274 1.00 0.00 O ATOM 564 CB LYS A 78 8.925 -8.522 5.320 1.00 0.00 C ATOM 565 CG LYS A 78 8.777 -8.570 3.793 1.00 0.00 C ATOM 566 CD LYS A 78 9.638 -9.655 3.128 1.00 0.00 C ATOM 567 CE LYS A 78 11.151 -9.391 3.204 1.00 0.00 C ATOM 568 NZ LYS A 78 11.513 -8.032 2.759 1.00 0.00 N ATOM 0 H LYS A 78 7.049 -6.784 4.881 1.00 0.00 H new ATOM 0 HA LYS A 78 9.039 -7.220 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.883 -8.965 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.148 -9.142 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.730 -8.744 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.047 -7.599 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.423 -10.614 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.348 -9.743 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.490 -9.536 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.675 -10.122 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.503 -8.023 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.895 -7.748 1.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.397 -7.366 3.549 1.00 0.00 H new ATOM 569 N LEU A 79 9.505 -4.992 4.864 1.00 0.00 N ATOM 570 CA LEU A 79 10.438 -4.012 4.342 1.00 0.00 C ATOM 571 C LEU A 79 11.285 -3.452 5.489 1.00 0.00 C ATOM 572 O LEU A 79 10.710 -3.258 6.583 1.00 0.00 O ATOM 573 CB LEU A 79 9.649 -2.873 3.694 1.00 0.00 C ATOM 574 CG LEU A 79 8.796 -3.253 2.481 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.074 -2.033 1.891 1.00 0.00 C ATOM 576 CD2 LEU A 79 9.670 -3.762 1.370 1.00 0.00 C ATOM 577 OXT LEU A 79 12.476 -3.169 5.236 1.00 0.00 O ATOM 0 H LEU A 79 8.529 -4.700 4.825 1.00 0.00 H new ATOM 0 HA LEU A 79 11.090 -4.480 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.997 -2.434 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.352 -2.097 3.390 1.00 0.00 H new ATOM 0 HG LEU A 79 8.086 -4.001 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.479 -2.343 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.421 -1.596 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.809 -1.293 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.051 -4.029 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.377 -2.986 1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.216 -4.641 1.711 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.514 3.849 -2.092 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.309 5.100 1.041 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.077 0.707 -0.836 1.00 7.91 C HETATM 582 CHC HEM A 80 0.334 2.609 -5.279 1.00 6.02 C HETATM 583 CHD HEM A 80 1.266 6.967 -3.305 1.00 10.53 C HETATM 584 NA HEM A 80 0.296 3.048 -0.264 1.00 6.22 N HETATM 585 C1A HEM A 80 0.265 3.731 0.926 1.00 6.23 C HETATM 586 C2A HEM A 80 0.209 2.825 2.038 1.00 8.27 C HETATM 587 C3A HEM A 80 0.004 1.595 1.522 1.00 7.07 C HETATM 588 C4A HEM A 80 0.075 1.732 0.081 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.187 0.321 2.285 1.00 7.00 C HETATM 590 CAA HEM A 80 0.431 3.213 3.473 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.592 4.174 4.097 1.00 11.15 C HETATM 592 CGA HEM A 80 0.036 5.340 4.865 1.00 22.27 C HETATM 593 O1A HEM A 80 -0.657 5.924 5.695 1.00 18.65 O HETATM 594 O2A HEM A 80 1.196 5.670 4.620 1.00 17.21 O HETATM 595 NB HEM A 80 0.136 2.055 -2.892 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.137 0.882 -2.214 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.469 -0.158 -3.144 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.149 0.306 -4.379 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.117 1.719 -4.232 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.961 -1.516 -2.745 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.027 -0.485 -5.660 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.276 -1.245 -6.108 1.00 6.48 C HETATM 603 NC HEM A 80 0.778 4.626 -3.923 1.00 3.58 N HETATM 604 C1C HEM A 80 0.644 3.958 -5.128 1.00 4.45 C HETATM 605 C2C HEM A 80 0.925 4.844 -6.226 1.00 5.77 C HETATM 606 C3C HEM A 80 1.305 6.037 -5.691 1.00 8.44 C HETATM 607 C4C HEM A 80 1.127 5.930 -4.243 1.00 11.13 C HETATM 608 CMC HEM A 80 0.856 4.429 -7.675 1.00 8.62 C HETATM 609 CAC HEM A 80 1.819 7.243 -6.443 1.00 3.39 C HETATM 610 CBC HEM A 80 0.700 8.012 -7.155 1.00 10.94 C HETATM 611 ND HEM A 80 0.723 5.672 -1.299 1.00 4.28 N HETATM 612 C1D HEM A 80 1.056 6.854 -1.926 1.00 5.02 C HETATM 613 C2D HEM A 80 1.176 7.920 -0.924 1.00 3.97 C HETATM 614 C3D HEM A 80 0.894 7.360 0.288 1.00 5.11 C HETATM 615 C4D HEM A 80 0.598 5.988 0.033 1.00 9.05 C HETATM 616 CMD HEM A 80 1.575 9.347 -1.196 1.00 5.28 C HETATM 617 CAD HEM A 80 0.891 7.954 1.690 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.408 8.684 2.042 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.605 9.956 1.231 1.00 6.46 C HETATM 620 O1D HEM A 80 -1.360 9.939 0.259 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.059 10.980 1.632 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.772 -0.377 1.687 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.713 0.530 3.216 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.785 -0.119 2.508 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.545 -1.783 -1.773 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -0.647 -2.249 -3.488 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -2.049 -1.505 -2.683 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.581 5.288 -8.287 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.109 3.645 -7.794 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.829 4.054 -7.993 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 2.245 9.380 -2.055 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 2.084 9.755 -0.323 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.685 9.940 -1.407 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.255 -1.835 -7.024 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.187 -1.196 -5.511 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.936 8.904 -7.735 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.331 7.666 -7.081 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.237 3.613 4.773 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.228 4.573 3.307 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.418 3.669 3.553 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.451 2.302 4.072 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.405 8.932 3.103 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.253 8.016 1.873 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.726 8.649 1.783 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.058 7.157 2.414 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.097 5.517 2.015 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.155 -0.300 -0.454 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.256 2.224 -6.285 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.561 7.936 -3.681 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.900 -0.513 -6.233 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.869 7.534 -6.476 1.00 3.39 H new