USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 44 TYR OH : rot 77:sc= 1.87 USER MOD Set 1.2: A 49 TYR OH : rot -132:sc= 1.68 USER MOD Set 1.3: A 54 LYS NZ :NH3+ 145:sc= 2.37 (180deg=-0.248) USER MOD Set 2.1: A 41 MET CE :methyl -151:sc= -0.0344 (180deg=-0.209) USER MOD Set 2.2: A 76 MET CE :methyl 171:sc= -0.754 (180deg=-1.28) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -4.05 (180deg=-6.4!) USER MOD Set 3.1: A 38 TYR OH : rot -2:sc= 1.87 USER MOD Set 3.2: A 42 LYS NZ :NH3+ 160:sc= 0.622 (180deg=-0.0552) USER MOD Set 4.1: A 32 GLN : amide:sc= 0.0193 K(o=1.1,f=-1.8) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -117:sc= 1.06 (180deg=0.929) USER MOD Single : A 1 ALA N :NH3+ -119:sc= 1.24 (180deg=-0.206) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.729 USER MOD Single : A 8 LYS NZ :NH3+ -129:sc= -0.0692 (180deg=-0.935) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0801 USER MOD Single : A 20 LYS NZ :NH3+ -145:sc= 0.683 (180deg=-0.156) USER MOD Single : A 23 MET CE :methyl 177:sc= 0 (180deg=-0.0163) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.141 (180deg=-0.292) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 166:sc= -3.86 (180deg=-5.04!) USER MOD Single : A 58 THR OG1 : rot 80:sc= 1.06 USER MOD Single : A 59 ASN : amide:sc= -0.245! X(o=-0.25!,f=-0.046) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0.841 (180deg=0.825) USER MOD Single : A 63 LYS NZ :NH3+ 145:sc= 0.873 (180deg=0.0827) USER MOD Single : A 64 TYR OH : rot -115:sc= 1.13 USER MOD Single : A 65 SER OG : rot 180:sc= -0.156 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0.456 (180deg=0.456) USER MOD Single : A 75 TYR OH : rot -99:sc= 1.25 USER MOD Single : A 77 SER OG : rot 50:sc= 0.988 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= 0.577 (180deg=0.551) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -1.05 (180deg=-1.05) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.726 (180deg=-0.726) USER MOD Single : A 80 HEM CMD :methyl 150:sc= -0.388 (180deg=-0.388) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.307 -17.508 -4.485 1.00 0.00 N ATOM 2 CA ALA A 1 2.822 -16.723 -5.631 1.00 0.00 C ATOM 3 C ALA A 1 2.143 -15.358 -5.601 1.00 0.00 C ATOM 4 O ALA A 1 1.482 -14.946 -6.549 1.00 0.00 O ATOM 5 CB ALA A 1 2.548 -17.454 -6.951 1.00 0.00 C ATOM 0 H1 ALA A 1 3.094 -17.754 -3.851 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.607 -16.943 -3.964 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.858 -18.379 -4.834 1.00 0.00 H new ATOM 0 HA ALA A 1 3.902 -16.599 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.933 -16.862 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.042 -18.426 -6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.474 -17.594 -7.073 1.00 0.00 H new ATOM 6 N ASP A 2 2.287 -14.689 -4.460 1.00 0.00 N ATOM 7 CA ASP A 2 1.613 -13.455 -4.125 1.00 0.00 C ATOM 8 C ASP A 2 2.284 -12.949 -2.858 1.00 0.00 C ATOM 9 O ASP A 2 2.834 -13.763 -2.119 1.00 0.00 O ATOM 10 CB ASP A 2 0.127 -13.782 -3.922 1.00 0.00 C ATOM 11 CG ASP A 2 -0.087 -14.952 -2.955 1.00 0.00 C ATOM 12 OD1 ASP A 2 0.190 -16.106 -3.374 1.00 0.00 O ATOM 13 OD2 ASP A 2 -0.507 -14.669 -1.814 1.00 0.00 O ATOM 0 H ASP A 2 2.906 -15.013 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 2 1.676 -12.685 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.387 -12.900 -3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.324 -14.023 -4.885 1.00 0.00 H new ATOM 14 N GLY A 3 2.265 -11.633 -2.622 1.00 0.00 N ATOM 15 CA GLY A 3 2.964 -11.043 -1.513 1.00 0.00 C ATOM 16 C GLY A 3 4.368 -10.949 -2.083 1.00 0.00 C ATOM 17 O GLY A 3 5.190 -11.848 -1.944 1.00 0.00 O ATOM 0 H GLY A 3 1.761 -10.962 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.561 -10.067 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.921 -11.665 -0.619 1.00 0.00 H new ATOM 18 N ALA A 4 4.528 -9.850 -2.816 1.00 0.00 N ATOM 19 CA ALA A 4 5.646 -9.414 -3.636 1.00 0.00 C ATOM 20 C ALA A 4 5.149 -9.277 -5.072 1.00 0.00 C ATOM 21 O ALA A 4 5.691 -8.454 -5.803 1.00 0.00 O ATOM 22 CB ALA A 4 6.842 -10.377 -3.627 1.00 0.00 C ATOM 0 H ALA A 4 3.778 -9.159 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 4 6.002 -8.472 -3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.634 -9.980 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.214 -10.485 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.528 -11.350 -4.004 1.00 0.00 H new ATOM 23 N ALA A 5 4.104 -10.019 -5.489 1.00 0.00 N ATOM 24 CA ALA A 5 3.671 -9.910 -6.875 1.00 0.00 C ATOM 25 C ALA A 5 2.656 -8.793 -7.004 1.00 0.00 C ATOM 26 O ALA A 5 2.640 -8.078 -8.003 1.00 0.00 O ATOM 27 CB ALA A 5 3.087 -11.243 -7.348 1.00 0.00 C ATOM 0 H ALA A 5 3.572 -10.668 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 5 4.527 -9.673 -7.507 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.766 -11.152 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.846 -12.021 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.232 -11.507 -6.726 1.00 0.00 H new ATOM 28 N LEU A 6 1.832 -8.607 -5.972 1.00 0.00 N ATOM 29 CA LEU A 6 0.806 -7.599 -6.033 1.00 0.00 C ATOM 30 C LEU A 6 1.415 -6.211 -5.849 1.00 0.00 C ATOM 31 O LEU A 6 0.872 -5.226 -6.351 1.00 0.00 O ATOM 32 CB LEU A 6 -0.236 -7.955 -4.975 1.00 0.00 C ATOM 33 CG LEU A 6 -1.014 -9.226 -5.349 1.00 0.00 C ATOM 34 CD1 LEU A 6 -0.396 -10.499 -4.768 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.439 -9.118 -4.812 1.00 0.00 C ATOM 0 H LEU A 6 1.864 -9.139 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 6 0.317 -7.571 -7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.256 -8.099 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.932 -7.124 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.988 -9.299 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.991 -11.362 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.622 -10.613 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.378 -10.431 -3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.996 -10.017 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.412 -9.011 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.928 -8.248 -5.250 1.00 0.00 H new ATOM 36 N TYR A 7 2.541 -6.125 -5.127 1.00 0.00 N ATOM 37 CA TYR A 7 3.179 -4.846 -4.860 1.00 0.00 C ATOM 38 C TYR A 7 3.992 -4.287 -6.037 1.00 0.00 C ATOM 39 O TYR A 7 4.374 -3.118 -5.998 1.00 0.00 O ATOM 40 CB TYR A 7 4.036 -4.979 -3.589 1.00 0.00 C ATOM 41 CG TYR A 7 4.163 -3.694 -2.795 1.00 0.00 C ATOM 42 CD1 TYR A 7 3.023 -2.921 -2.492 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.420 -3.269 -2.330 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.168 -1.636 -1.959 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.549 -2.004 -1.738 1.00 0.00 C ATOM 46 CZ TYR A 7 4.453 -1.128 -1.736 1.00 0.00 C ATOM 47 OH TYR A 7 4.653 0.216 -1.699 1.00 0.00 O ATOM 0 H TYR A 7 3.021 -6.929 -4.722 1.00 0.00 H new ATOM 0 HA TYR A 7 2.388 -4.111 -4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.603 -5.748 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.032 -5.321 -3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.036 -3.322 -2.672 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.281 -3.913 -2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.298 -1.042 -1.722 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.484 -1.707 -1.287 1.00 0.00 H new ATOM 0 HH TYR A 7 5.601 0.401 -1.534 1.00 0.00 H new ATOM 48 N LYS A 8 4.249 -5.073 -7.089 1.00 0.00 N ATOM 49 CA LYS A 8 5.041 -4.611 -8.229 1.00 0.00 C ATOM 50 C LYS A 8 4.568 -3.251 -8.764 1.00 0.00 C ATOM 51 O LYS A 8 5.364 -2.328 -8.915 1.00 0.00 O ATOM 52 CB LYS A 8 4.987 -5.657 -9.350 1.00 0.00 C ATOM 53 CG LYS A 8 5.742 -6.937 -8.971 1.00 0.00 C ATOM 54 CD LYS A 8 5.505 -8.101 -9.946 1.00 0.00 C ATOM 55 CE LYS A 8 5.942 -7.813 -11.389 1.00 0.00 C ATOM 56 NZ LYS A 8 4.894 -7.123 -12.164 1.00 0.00 N ATOM 0 H LYS A 8 3.918 -6.034 -7.172 1.00 0.00 H new ATOM 0 HA LYS A 8 6.066 -4.481 -7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.948 -5.900 -9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.416 -5.237 -10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.809 -6.721 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.439 -7.245 -7.970 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.042 -8.978 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.444 -8.352 -9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.844 -7.202 -11.378 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.198 -8.750 -11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.736 -7.627 -13.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.011 -7.107 -11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.195 -6.148 -12.364 1.00 0.00 H new ATOM 57 N SER A 9 3.265 -3.090 -8.995 1.00 0.00 N ATOM 58 CA SER A 9 2.674 -1.872 -9.548 1.00 0.00 C ATOM 59 C SER A 9 2.588 -0.706 -8.553 1.00 0.00 C ATOM 60 O SER A 9 1.816 0.223 -8.777 1.00 0.00 O ATOM 61 CB SER A 9 1.271 -2.229 -10.051 1.00 0.00 C ATOM 62 OG SER A 9 1.321 -3.434 -10.794 1.00 0.00 O ATOM 0 H SER A 9 2.577 -3.817 -8.799 1.00 0.00 H new ATOM 0 HA SER A 9 3.325 -1.521 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.589 -2.339 -9.208 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.881 -1.423 -10.673 1.00 0.00 H new ATOM 0 HG SER A 9 0.422 -3.660 -11.112 1.00 0.00 H new ATOM 63 N CYS A 10 3.367 -0.740 -7.471 1.00 0.00 N ATOM 64 CA CYS A 10 3.397 0.243 -6.395 1.00 0.00 C ATOM 65 C CYS A 10 4.802 0.820 -6.304 1.00 0.00 C ATOM 66 O CYS A 10 5.002 2.013 -6.050 1.00 0.00 O ATOM 67 CB CYS A 10 2.988 -0.461 -5.099 1.00 0.00 C ATOM 68 SG CYS A 10 1.571 -1.596 -5.270 1.00 0.00 S ATOM 0 H CYS A 10 4.031 -1.499 -7.316 1.00 0.00 H new ATOM 0 HA CYS A 10 2.705 1.065 -6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.842 -1.021 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.744 0.294 -4.351 1.00 0.00 H new ATOM 69 N ILE A 11 5.775 -0.056 -6.572 1.00 0.00 N ATOM 70 CA ILE A 11 7.193 0.235 -6.628 1.00 0.00 C ATOM 71 C ILE A 11 7.423 1.483 -7.491 1.00 0.00 C ATOM 72 O ILE A 11 8.316 2.274 -7.208 1.00 0.00 O ATOM 73 CB ILE A 11 7.897 -1.007 -7.206 1.00 0.00 C ATOM 74 CG1 ILE A 11 7.676 -2.280 -6.362 1.00 0.00 C ATOM 75 CG2 ILE A 11 9.391 -0.757 -7.336 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.816 -2.115 -4.843 1.00 0.00 C ATOM 0 H ILE A 11 5.574 -1.037 -6.765 1.00 0.00 H new ATOM 0 HA ILE A 11 7.602 0.448 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 11 7.449 -1.178 -8.185 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.678 -2.664 -6.575 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.386 -3.038 -6.692 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.874 -1.644 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.562 0.089 -8.001 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.810 -0.537 -6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.639 -3.074 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.821 -1.767 -4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.087 -1.387 -4.487 1.00 0.00 H new ATOM 77 N GLY A 12 6.608 1.675 -8.534 1.00 0.00 N ATOM 78 CA GLY A 12 6.687 2.830 -9.415 1.00 0.00 C ATOM 79 C GLY A 12 6.716 4.157 -8.646 1.00 0.00 C ATOM 80 O GLY A 12 7.480 5.049 -9.006 1.00 0.00 O ATOM 0 H GLY A 12 5.868 1.020 -8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.583 2.752 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.833 2.825 -10.092 1.00 0.00 H new ATOM 81 N CYS A 13 5.890 4.299 -7.599 1.00 0.00 N ATOM 82 CA CYS A 13 5.846 5.524 -6.799 1.00 0.00 C ATOM 83 C CYS A 13 6.679 5.375 -5.528 1.00 0.00 C ATOM 84 O CYS A 13 7.387 6.307 -5.153 1.00 0.00 O ATOM 85 CB CYS A 13 4.414 5.891 -6.383 1.00 0.00 C ATOM 86 SG CYS A 13 3.410 6.845 -7.553 1.00 0.00 S ATOM 0 H CYS A 13 5.242 3.575 -7.288 1.00 0.00 H new ATOM 0 HA CYS A 13 6.251 6.314 -7.431 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.882 4.966 -6.163 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.470 6.456 -5.452 1.00 0.00 H new ATOM 87 N HIS A 14 6.575 4.226 -4.851 1.00 0.00 N ATOM 88 CA HIS A 14 7.249 3.997 -3.574 1.00 0.00 C ATOM 89 C HIS A 14 8.729 3.608 -3.685 1.00 0.00 C ATOM 90 O HIS A 14 9.439 3.631 -2.680 1.00 0.00 O ATOM 91 CB HIS A 14 6.437 2.958 -2.793 1.00 0.00 C ATOM 92 CG HIS A 14 5.095 3.491 -2.374 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.994 4.528 -1.463 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.800 3.173 -2.715 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.689 4.781 -1.295 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.905 3.988 -2.027 1.00 0.00 N ATOM 0 H HIS A 14 6.022 3.432 -5.174 1.00 0.00 H new ATOM 0 HA HIS A 14 7.281 4.946 -3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.298 2.069 -3.408 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.997 2.650 -1.910 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.768 5.009 -1.005 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.518 2.401 -3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.311 5.548 -0.635 1.00 0.00 H new ATOM 97 N GLY A 15 9.229 3.291 -4.877 1.00 0.00 N ATOM 98 CA GLY A 15 10.619 2.907 -5.071 1.00 0.00 C ATOM 99 C GLY A 15 10.839 1.432 -4.738 1.00 0.00 C ATOM 100 O GLY A 15 10.010 0.804 -4.080 1.00 0.00 O ATOM 0 H GLY A 15 8.678 3.294 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.910 3.096 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.260 3.524 -4.441 1.00 0.00 H new ATOM 101 N ALA A 16 11.972 0.882 -5.197 1.00 0.00 N ATOM 102 CA ALA A 16 12.369 -0.515 -5.017 1.00 0.00 C ATOM 103 C ALA A 16 12.065 -1.024 -3.605 1.00 0.00 C ATOM 104 O ALA A 16 11.256 -1.930 -3.427 1.00 0.00 O ATOM 105 CB ALA A 16 13.861 -0.654 -5.340 1.00 0.00 C ATOM 0 H ALA A 16 12.660 1.421 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 16 11.785 -1.132 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.167 -1.692 -5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.040 -0.351 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.439 -0.018 -4.670 1.00 0.00 H new ATOM 106 N ASP A 17 12.702 -0.419 -2.601 1.00 0.00 N ATOM 107 CA ASP A 17 12.567 -0.750 -1.203 1.00 0.00 C ATOM 108 C ASP A 17 11.427 0.033 -0.549 1.00 0.00 C ATOM 109 O ASP A 17 11.492 0.307 0.640 1.00 0.00 O ATOM 110 CB ASP A 17 13.924 -0.488 -0.525 1.00 0.00 C ATOM 111 CG ASP A 17 13.974 -0.894 0.947 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.596 -2.048 1.241 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.414 -0.041 1.751 1.00 0.00 O ATOM 0 H ASP A 17 13.354 0.349 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 17 12.302 -1.801 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.699 -1.030 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.160 0.573 -0.606 1.00 0.00 H new ATOM 114 N GLY A 18 10.405 0.437 -1.314 1.00 0.00 N ATOM 115 CA GLY A 18 9.235 1.174 -0.843 1.00 0.00 C ATOM 116 C GLY A 18 9.539 2.329 0.120 1.00 0.00 C ATOM 117 O GLY A 18 8.705 2.680 0.959 1.00 0.00 O ATOM 0 H GLY A 18 10.373 0.250 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.703 1.572 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.560 0.476 -0.347 1.00 0.00 H new ATOM 118 N SER A 19 10.730 2.915 -0.005 1.00 0.00 N ATOM 119 CA SER A 19 11.257 3.966 0.838 1.00 0.00 C ATOM 120 C SER A 19 11.033 5.360 0.258 1.00 0.00 C ATOM 121 O SER A 19 11.096 6.340 0.999 1.00 0.00 O ATOM 122 CB SER A 19 12.750 3.668 0.998 1.00 0.00 C ATOM 123 OG SER A 19 13.298 3.299 -0.259 1.00 0.00 O ATOM 0 H SER A 19 11.383 2.647 -0.742 1.00 0.00 H new ATOM 0 HA SER A 19 10.738 3.975 1.797 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.267 4.545 1.388 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.896 2.864 1.720 1.00 0.00 H new ATOM 0 HG SER A 19 14.254 3.110 -0.156 1.00 0.00 H new ATOM 124 N LYS A 20 10.799 5.477 -1.052 1.00 0.00 N ATOM 125 CA LYS A 20 10.573 6.772 -1.663 1.00 0.00 C ATOM 126 C LYS A 20 9.233 7.295 -1.154 1.00 0.00 C ATOM 127 O LYS A 20 8.210 6.613 -1.249 1.00 0.00 O ATOM 128 CB LYS A 20 10.602 6.649 -3.193 1.00 0.00 C ATOM 129 CG LYS A 20 10.303 7.962 -3.927 1.00 0.00 C ATOM 130 CD LYS A 20 10.408 7.721 -5.440 1.00 0.00 C ATOM 131 CE LYS A 20 9.801 8.862 -6.264 1.00 0.00 C ATOM 132 NZ LYS A 20 8.349 8.982 -6.041 1.00 0.00 N ATOM 0 H LYS A 20 10.763 4.690 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 20 11.359 7.477 -1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.583 6.288 -3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.875 5.898 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.305 8.319 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.007 8.735 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.456 7.599 -5.713 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.903 6.788 -5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.289 9.801 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.994 8.689 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.885 9.271 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.968 8.064 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.168 9.696 -5.306 1.00 0.00 H new ATOM 133 N ALA A 21 9.245 8.507 -0.597 1.00 0.00 N ATOM 134 CA ALA A 21 8.046 9.152 -0.098 1.00 0.00 C ATOM 135 C ALA A 21 7.232 9.582 -1.319 1.00 0.00 C ATOM 136 O ALA A 21 7.300 10.724 -1.765 1.00 0.00 O ATOM 137 CB ALA A 21 8.431 10.318 0.817 1.00 0.00 C ATOM 0 H ALA A 21 10.092 9.064 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 21 7.436 8.484 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.528 10.801 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.016 9.944 1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.023 11.041 0.256 1.00 0.00 H new ATOM 138 N ALA A 22 6.505 8.617 -1.883 1.00 0.00 N ATOM 139 CA ALA A 22 5.684 8.727 -3.074 1.00 0.00 C ATOM 140 C ALA A 22 5.022 10.089 -3.269 1.00 0.00 C ATOM 141 O ALA A 22 4.316 10.565 -2.383 1.00 0.00 O ATOM 142 CB ALA A 22 4.637 7.614 -3.083 1.00 0.00 C ATOM 0 H ALA A 22 6.477 7.677 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 22 6.364 8.619 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.022 7.700 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.136 6.645 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.005 7.702 -2.199 1.00 0.00 H new ATOM 143 N MET A 23 5.252 10.645 -4.468 1.00 0.00 N ATOM 144 CA MET A 23 4.790 11.910 -5.023 1.00 0.00 C ATOM 145 C MET A 23 4.509 12.969 -3.960 1.00 0.00 C ATOM 146 O MET A 23 5.378 13.792 -3.682 1.00 0.00 O ATOM 147 CB MET A 23 3.590 11.650 -5.948 1.00 0.00 C ATOM 148 CG MET A 23 3.931 10.641 -7.056 1.00 0.00 C ATOM 149 SD MET A 23 5.417 10.996 -8.033 1.00 0.00 S ATOM 150 CE MET A 23 5.444 9.547 -9.109 1.00 0.00 C ATOM 0 H MET A 23 5.836 10.154 -5.145 1.00 0.00 H new ATOM 0 HA MET A 23 5.598 12.339 -5.616 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.752 11.275 -5.360 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.268 12.589 -6.398 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.048 9.658 -6.600 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.081 10.578 -7.736 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.271 9.633 -9.814 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.573 8.648 -8.506 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.504 9.484 -9.658 1.00 0.00 H new ATOM 151 N GLY A 24 3.328 12.959 -3.340 1.00 0.00 N ATOM 152 CA GLY A 24 2.986 13.920 -2.303 1.00 0.00 C ATOM 153 C GLY A 24 3.666 13.589 -0.972 1.00 0.00 C ATOM 154 O GLY A 24 3.035 13.672 0.077 1.00 0.00 O ATOM 0 H GLY A 24 2.589 12.287 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.281 14.920 -2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.905 13.936 -2.165 1.00 0.00 H new ATOM 155 N SER A 25 4.951 13.233 -1.004 1.00 0.00 N ATOM 156 CA SER A 25 5.759 12.898 0.151 1.00 0.00 C ATOM 157 C SER A 25 5.077 11.835 1.013 1.00 0.00 C ATOM 158 O SER A 25 4.869 12.068 2.202 1.00 0.00 O ATOM 159 CB SER A 25 6.047 14.173 0.954 1.00 0.00 C ATOM 160 OG SER A 25 6.666 15.133 0.118 1.00 0.00 O ATOM 0 H SER A 25 5.472 13.170 -1.878 1.00 0.00 H new ATOM 0 HA SER A 25 6.705 12.473 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.119 14.575 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.694 13.943 1.801 1.00 0.00 H new ATOM 0 HG SER A 25 6.847 15.947 0.633 1.00 0.00 H new ATOM 161 N ALA A 26 4.725 10.671 0.448 1.00 0.00 N ATOM 162 CA ALA A 26 4.080 9.646 1.233 1.00 0.00 C ATOM 163 C ALA A 26 4.882 9.218 2.452 1.00 0.00 C ATOM 164 O ALA A 26 6.099 9.092 2.358 1.00 0.00 O ATOM 165 CB ALA A 26 3.927 8.410 0.349 1.00 0.00 C ATOM 0 H ALA A 26 4.878 10.432 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 26 3.133 10.058 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.441 7.615 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.320 8.658 -0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.910 8.073 0.021 1.00 0.00 H new ATOM 166 N LYS A 27 4.213 8.961 3.578 1.00 0.00 N ATOM 167 CA LYS A 27 4.888 8.417 4.752 1.00 0.00 C ATOM 168 C LYS A 27 5.522 7.100 4.268 1.00 0.00 C ATOM 169 O LYS A 27 4.759 6.198 3.918 1.00 0.00 O ATOM 170 CB LYS A 27 3.874 8.132 5.868 1.00 0.00 C ATOM 171 CG LYS A 27 3.209 9.406 6.410 1.00 0.00 C ATOM 172 CD LYS A 27 2.233 9.106 7.561 1.00 0.00 C ATOM 173 CE LYS A 27 1.179 8.040 7.223 1.00 0.00 C ATOM 174 NZ LYS A 27 0.447 8.346 5.981 1.00 0.00 N ATOM 0 H LYS A 27 3.213 9.120 3.699 1.00 0.00 H new ATOM 0 HA LYS A 27 5.625 9.110 5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.104 7.459 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.376 7.614 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.978 10.096 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.674 9.906 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.802 8.777 8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.725 10.028 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.666 7.070 7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.471 7.959 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.398 7.743 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.159 9.345 5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.062 8.166 5.162 1.00 0.00 H new ATOM 175 N PRO A 28 6.864 6.974 4.195 1.00 0.00 N ATOM 176 CA PRO A 28 7.548 5.789 3.687 1.00 0.00 C ATOM 177 C PRO A 28 6.835 4.498 4.077 1.00 0.00 C ATOM 178 O PRO A 28 6.781 4.164 5.259 1.00 0.00 O ATOM 179 CB PRO A 28 8.970 5.867 4.247 1.00 0.00 C ATOM 180 CG PRO A 28 9.212 7.375 4.272 1.00 0.00 C ATOM 181 CD PRO A 28 7.847 7.932 4.684 1.00 0.00 C ATOM 0 HA PRO A 28 7.556 5.770 2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.043 5.424 5.240 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.689 5.348 3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.991 7.648 4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.525 7.751 3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.780 8.043 5.766 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.680 8.919 4.252 1.00 0.00 H new ATOM 182 N VAL A 29 6.255 3.784 3.102 1.00 0.00 N ATOM 183 CA VAL A 29 5.534 2.565 3.431 1.00 0.00 C ATOM 184 C VAL A 29 6.543 1.509 3.910 1.00 0.00 C ATOM 185 O VAL A 29 6.162 0.573 4.608 1.00 0.00 O ATOM 186 CB VAL A 29 4.615 2.085 2.301 1.00 0.00 C ATOM 187 CG1 VAL A 29 3.793 3.231 1.709 1.00 0.00 C ATOM 188 CG2 VAL A 29 5.306 1.351 1.165 1.00 0.00 C ATOM 0 H VAL A 29 6.273 4.026 2.111 1.00 0.00 H new ATOM 0 HA VAL A 29 4.841 2.768 4.247 1.00 0.00 H new ATOM 0 HB VAL A 29 3.969 1.362 2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.156 2.848 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.173 3.674 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.464 3.989 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.567 1.055 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.044 2.007 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.804 0.463 1.555 1.00 0.00 H new ATOM 189 N LYS A 30 7.820 1.626 3.515 1.00 0.00 N ATOM 190 CA LYS A 30 8.897 0.758 3.960 1.00 0.00 C ATOM 191 C LYS A 30 8.936 0.601 5.468 1.00 0.00 C ATOM 192 O LYS A 30 9.373 1.477 6.212 1.00 0.00 O ATOM 193 CB LYS A 30 10.238 1.293 3.478 1.00 0.00 C ATOM 194 CG LYS A 30 11.494 0.608 4.054 1.00 0.00 C ATOM 195 CD LYS A 30 11.510 -0.907 3.816 1.00 0.00 C ATOM 196 CE LYS A 30 12.752 -1.568 4.421 1.00 0.00 C ATOM 197 NZ LYS A 30 12.882 -2.963 3.962 1.00 0.00 N ATOM 0 H LYS A 30 8.129 2.346 2.862 1.00 0.00 H new ATOM 0 HA LYS A 30 8.705 -0.224 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.270 1.208 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.288 2.355 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.382 1.051 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.549 0.803 5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.614 -1.352 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.478 -1.106 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.642 -1.004 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.689 -1.543 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.681 -3.416 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.006 -3.482 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.050 -2.977 2.936 1.00 0.00 H new ATOM 198 N GLY A 31 8.498 -0.576 5.881 1.00 0.00 N ATOM 199 CA GLY A 31 8.512 -0.997 7.263 1.00 0.00 C ATOM 200 C GLY A 31 7.244 -0.607 7.993 1.00 0.00 C ATOM 201 O GLY A 31 7.214 -0.705 9.219 1.00 0.00 O ATOM 0 H GLY A 31 8.115 -1.278 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.638 -2.079 7.310 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.371 -0.554 7.767 1.00 0.00 H new ATOM 202 N GLN A 32 6.202 -0.144 7.285 1.00 0.00 N ATOM 203 CA GLN A 32 4.973 0.167 7.970 1.00 0.00 C ATOM 204 C GLN A 32 4.474 -1.194 8.523 1.00 0.00 C ATOM 205 O GLN A 32 4.753 -2.251 7.947 1.00 0.00 O ATOM 206 CB GLN A 32 3.962 0.920 7.071 1.00 0.00 C ATOM 207 CG GLN A 32 4.164 2.454 6.889 1.00 0.00 C ATOM 208 CD GLN A 32 3.002 3.140 6.120 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.881 2.647 6.205 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.192 4.250 5.377 1.00 0.00 N ATOM 0 H GLN A 32 6.198 0.013 6.277 1.00 0.00 H new ATOM 0 HA GLN A 32 5.115 0.875 8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.982 0.459 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.964 0.758 7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.266 2.919 7.870 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.098 2.630 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.122 4.662 5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.405 4.677 4.888 1.00 0.00 H new ATOM 211 N GLY A 33 3.782 -1.217 9.664 1.00 0.00 N ATOM 212 CA GLY A 33 3.364 -2.485 10.266 1.00 0.00 C ATOM 213 C GLY A 33 2.335 -3.229 9.414 1.00 0.00 C ATOM 214 O GLY A 33 1.420 -2.595 8.917 1.00 0.00 O ATOM 0 H GLY A 33 3.502 -0.385 10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.238 -3.120 10.410 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.943 -2.293 11.253 1.00 0.00 H new ATOM 215 N ALA A 34 2.422 -4.556 9.255 1.00 0.00 N ATOM 216 CA ALA A 34 1.468 -5.337 8.464 1.00 0.00 C ATOM 217 C ALA A 34 0.021 -4.998 8.837 1.00 0.00 C ATOM 218 O ALA A 34 -0.817 -4.792 7.964 1.00 0.00 O ATOM 219 CB ALA A 34 1.742 -6.832 8.650 1.00 0.00 C ATOM 0 H ALA A 34 3.161 -5.119 9.675 1.00 0.00 H new ATOM 0 HA ALA A 34 1.601 -5.079 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.030 -7.409 8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.756 -7.060 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.636 -7.093 9.703 1.00 0.00 H new ATOM 220 N GLU A 35 -0.268 -4.921 10.138 1.00 0.00 N ATOM 221 CA GLU A 35 -1.601 -4.579 10.624 1.00 0.00 C ATOM 222 C GLU A 35 -1.979 -3.164 10.162 1.00 0.00 C ATOM 223 O GLU A 35 -3.104 -2.920 9.730 1.00 0.00 O ATOM 224 CB GLU A 35 -1.621 -4.690 12.156 1.00 0.00 C ATOM 225 CG GLU A 35 -3.034 -4.493 12.721 1.00 0.00 C ATOM 226 CD GLU A 35 -3.042 -4.627 14.239 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.722 -3.614 14.898 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.352 -5.742 14.711 1.00 0.00 O ATOM 0 H GLU A 35 0.413 -5.093 10.878 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.337 -5.271 10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.243 -5.667 12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.951 -3.944 12.584 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.408 -3.509 12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.709 -5.229 12.284 1.00 0.00 H new ATOM 229 N GLU A 36 -1.023 -2.237 10.262 1.00 0.00 N ATOM 230 CA GLU A 36 -1.169 -0.843 9.874 1.00 0.00 C ATOM 231 C GLU A 36 -1.522 -0.800 8.384 1.00 0.00 C ATOM 232 O GLU A 36 -2.576 -0.307 7.999 1.00 0.00 O ATOM 233 CB GLU A 36 0.161 -0.128 10.188 1.00 0.00 C ATOM 234 CG GLU A 36 0.089 1.398 10.270 1.00 0.00 C ATOM 235 CD GLU A 36 1.487 2.028 10.275 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.474 1.266 10.409 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.545 3.267 10.132 1.00 0.00 O ATOM 0 H GLU A 36 -0.095 -2.450 10.629 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.965 -0.336 10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.541 -0.507 11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.888 -0.399 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.481 1.782 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.446 1.690 11.174 1.00 0.00 H new ATOM 238 N LEU A 37 -0.634 -1.357 7.561 1.00 0.00 N ATOM 239 CA LEU A 37 -0.729 -1.481 6.123 1.00 0.00 C ATOM 240 C LEU A 37 -2.083 -2.061 5.737 1.00 0.00 C ATOM 241 O LEU A 37 -2.754 -1.542 4.850 1.00 0.00 O ATOM 242 CB LEU A 37 0.399 -2.415 5.672 1.00 0.00 C ATOM 243 CG LEU A 37 1.791 -1.776 5.780 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.857 -2.863 5.677 1.00 0.00 C ATOM 245 CD2 LEU A 37 1.981 -0.806 4.625 1.00 0.00 C ATOM 0 H LEU A 37 0.232 -1.761 7.918 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.635 -0.507 5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.375 -3.322 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.223 -2.715 4.639 1.00 0.00 H new ATOM 0 HG LEU A 37 1.879 -1.255 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.846 -2.411 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.723 -3.582 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.765 -3.374 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.967 -0.347 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.896 -1.344 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.216 -0.031 4.671 1.00 0.00 H new ATOM 246 N TYR A 38 -2.481 -3.149 6.395 1.00 0.00 N ATOM 247 CA TYR A 38 -3.753 -3.796 6.144 1.00 0.00 C ATOM 248 C TYR A 38 -4.904 -2.845 6.436 1.00 0.00 C ATOM 249 O TYR A 38 -5.750 -2.635 5.574 1.00 0.00 O ATOM 250 CB TYR A 38 -3.866 -5.041 7.017 1.00 0.00 C ATOM 251 CG TYR A 38 -5.247 -5.670 7.014 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.766 -6.229 5.830 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.089 -5.493 8.128 1.00 0.00 C ATOM 254 CE1 TYR A 38 -7.124 -6.587 5.755 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.441 -5.865 8.057 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.963 -6.397 6.867 1.00 0.00 C ATOM 257 OH TYR A 38 -9.292 -6.688 6.799 1.00 0.00 O ATOM 0 H TYR A 38 -1.923 -3.603 7.118 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.806 -4.082 5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.140 -5.779 6.676 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.598 -4.780 8.041 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.120 -6.383 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.694 -5.070 9.040 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.522 -7.008 4.843 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.080 -5.742 8.919 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.515 -6.991 5.894 1.00 0.00 H new ATOM 258 N LYS A 39 -4.949 -2.278 7.643 1.00 0.00 N ATOM 259 CA LYS A 39 -6.014 -1.369 8.032 1.00 0.00 C ATOM 260 C LYS A 39 -6.075 -0.186 7.062 1.00 0.00 C ATOM 261 O LYS A 39 -7.154 0.278 6.695 1.00 0.00 O ATOM 262 CB LYS A 39 -5.760 -0.909 9.474 1.00 0.00 C ATOM 263 CG LYS A 39 -6.919 -0.076 10.036 1.00 0.00 C ATOM 264 CD LYS A 39 -6.629 0.290 11.496 1.00 0.00 C ATOM 265 CE LYS A 39 -7.775 1.121 12.082 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.513 1.473 13.489 1.00 0.00 N ATOM 0 H LYS A 39 -4.251 -2.438 8.369 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.980 -1.872 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.603 -1.781 10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.843 -0.320 9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.051 0.829 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.850 -0.639 9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.493 -0.618 12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.697 0.852 11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.905 2.030 11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.707 0.560 12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.305 2.035 13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.412 0.604 14.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.636 2.028 13.550 1.00 0.00 H new ATOM 267 N LYS A 40 -4.909 0.287 6.625 1.00 0.00 N ATOM 268 CA LYS A 40 -4.786 1.409 5.731 1.00 0.00 C ATOM 269 C LYS A 40 -5.328 1.057 4.344 1.00 0.00 C ATOM 270 O LYS A 40 -6.208 1.746 3.828 1.00 0.00 O ATOM 271 CB LYS A 40 -3.310 1.795 5.717 1.00 0.00 C ATOM 272 CG LYS A 40 -2.954 2.651 6.941 1.00 0.00 C ATOM 273 CD LYS A 40 -1.459 2.987 6.947 1.00 0.00 C ATOM 274 CE LYS A 40 -1.162 4.169 7.876 1.00 0.00 C ATOM 275 NZ LYS A 40 0.258 4.553 7.806 1.00 0.00 N ATOM 0 H LYS A 40 -4.012 -0.116 6.895 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.380 2.260 6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.695 0.895 5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.083 2.346 4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.539 3.571 6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.216 2.116 7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.889 2.116 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.133 3.225 5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.786 5.019 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.420 3.904 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.702 4.411 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.742 3.965 7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.334 5.554 7.536 1.00 0.00 H new ATOM 276 N MET A 41 -4.825 -0.018 3.730 1.00 0.00 N ATOM 277 CA MET A 41 -5.303 -0.427 2.425 1.00 0.00 C ATOM 278 C MET A 41 -6.777 -0.799 2.520 1.00 0.00 C ATOM 279 O MET A 41 -7.493 -0.571 1.561 1.00 0.00 O ATOM 280 CB MET A 41 -4.472 -1.579 1.873 1.00 0.00 C ATOM 281 CG MET A 41 -3.089 -1.111 1.420 1.00 0.00 C ATOM 282 SD MET A 41 -2.109 -2.388 0.592 1.00 0.00 S ATOM 283 CE MET A 41 -1.766 -3.452 2.007 1.00 0.00 C ATOM 0 H MET A 41 -4.092 -0.611 4.120 1.00 0.00 H new ATOM 0 HA MET A 41 -5.196 0.405 1.729 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.364 -2.349 2.637 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.995 -2.035 1.033 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.208 -0.264 0.744 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.537 -0.751 2.288 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.816 -3.964 1.855 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.711 -2.847 2.912 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.563 -4.188 2.110 1.00 0.00 H new ATOM 284 N LYS A 42 -7.249 -1.367 3.634 1.00 0.00 N ATOM 285 CA LYS A 42 -8.663 -1.674 3.808 1.00 0.00 C ATOM 286 C LYS A 42 -9.420 -0.345 3.729 1.00 0.00 C ATOM 287 O LYS A 42 -10.362 -0.202 2.953 1.00 0.00 O ATOM 288 CB LYS A 42 -8.887 -2.386 5.150 1.00 0.00 C ATOM 289 CG LYS A 42 -10.321 -2.908 5.297 1.00 0.00 C ATOM 290 CD LYS A 42 -10.553 -3.347 6.748 1.00 0.00 C ATOM 291 CE LYS A 42 -11.914 -4.029 6.925 1.00 0.00 C ATOM 292 NZ LYS A 42 -11.941 -5.359 6.292 1.00 0.00 N ATOM 0 H LYS A 42 -6.665 -1.623 4.430 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.026 -2.351 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.189 -3.218 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.668 -1.697 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.034 -2.130 5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.487 -3.746 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.761 -4.032 7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.493 -2.479 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.137 -4.127 7.987 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.694 -3.403 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.714 -5.922 6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.093 -5.253 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.035 -5.842 6.460 1.00 0.00 H new ATOM 293 N GLY A 43 -8.962 0.635 4.512 1.00 0.00 N ATOM 294 CA GLY A 43 -9.523 1.971 4.551 1.00 0.00 C ATOM 295 C GLY A 43 -9.610 2.583 3.150 1.00 0.00 C ATOM 296 O GLY A 43 -10.617 3.203 2.815 1.00 0.00 O ATOM 0 H GLY A 43 -8.174 0.510 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.517 1.937 4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.909 2.606 5.189 1.00 0.00 H new ATOM 297 N TYR A 44 -8.555 2.460 2.336 1.00 0.00 N ATOM 298 CA TYR A 44 -8.592 2.986 0.974 1.00 0.00 C ATOM 299 C TYR A 44 -9.537 2.123 0.120 1.00 0.00 C ATOM 300 O TYR A 44 -10.401 2.655 -0.569 1.00 0.00 O ATOM 301 CB TYR A 44 -7.181 3.033 0.365 1.00 0.00 C ATOM 302 CG TYR A 44 -6.187 3.987 1.011 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.509 5.339 1.236 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.863 3.567 1.225 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.616 6.161 1.946 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.926 4.441 1.794 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.317 5.714 2.230 1.00 0.00 C ATOM 308 OH TYR A 44 -3.439 6.541 2.874 1.00 0.00 O ATOM 0 H TYR A 44 -7.679 2.007 2.595 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.969 4.008 0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.761 2.028 0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.274 3.300 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.439 5.743 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.566 2.566 0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.931 7.140 2.274 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.897 4.131 1.897 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.658 6.570 3.829 1.00 0.00 H new ATOM 309 N ALA A 45 -9.402 0.793 0.188 1.00 0.00 N ATOM 310 CA ALA A 45 -10.189 -0.198 -0.546 1.00 0.00 C ATOM 311 C ALA A 45 -11.682 0.131 -0.444 1.00 0.00 C ATOM 312 O ALA A 45 -12.372 0.226 -1.457 1.00 0.00 O ATOM 313 CB ALA A 45 -9.936 -1.614 -0.014 1.00 0.00 C ATOM 0 H ALA A 45 -8.702 0.359 0.790 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.879 -0.162 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.535 -2.328 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.880 -1.860 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.213 -1.662 1.039 1.00 0.00 H new ATOM 314 N ASP A 46 -12.171 0.312 0.789 1.00 0.00 N ATOM 315 CA ASP A 46 -13.571 0.624 1.071 1.00 0.00 C ATOM 316 C ASP A 46 -13.851 2.135 1.087 1.00 0.00 C ATOM 317 O ASP A 46 -14.974 2.541 1.378 1.00 0.00 O ATOM 318 CB ASP A 46 -13.993 -0.045 2.392 1.00 0.00 C ATOM 319 CG ASP A 46 -13.241 0.436 3.633 1.00 0.00 C ATOM 320 OD1 ASP A 46 -12.820 1.612 3.646 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.109 -0.385 4.566 1.00 0.00 O ATOM 0 H ASP A 46 -11.595 0.244 1.628 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.175 0.220 0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.059 0.126 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.853 -1.122 2.296 1.00 0.00 H new ATOM 322 N GLY A 47 -12.858 2.974 0.781 1.00 0.00 N ATOM 323 CA GLY A 47 -12.995 4.423 0.750 1.00 0.00 C ATOM 324 C GLY A 47 -13.291 5.066 2.109 1.00 0.00 C ATOM 325 O GLY A 47 -13.713 6.220 2.145 1.00 0.00 O ATOM 0 H GLY A 47 -11.919 2.653 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.076 4.853 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.795 4.684 0.057 1.00 0.00 H new ATOM 326 N SER A 48 -13.070 4.363 3.225 1.00 0.00 N ATOM 327 CA SER A 48 -13.307 4.909 4.557 1.00 0.00 C ATOM 328 C SER A 48 -12.130 5.810 4.972 1.00 0.00 C ATOM 329 O SER A 48 -12.302 6.718 5.782 1.00 0.00 O ATOM 330 CB SER A 48 -13.565 3.759 5.548 1.00 0.00 C ATOM 331 OG SER A 48 -14.040 4.252 6.785 1.00 0.00 O ATOM 0 H SER A 48 -12.723 3.404 3.226 1.00 0.00 H new ATOM 0 HA SER A 48 -14.198 5.537 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.293 3.066 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.644 3.197 5.706 1.00 0.00 H new ATOM 0 HG SER A 48 -14.198 3.503 7.397 1.00 0.00 H new ATOM 332 N TYR A 49 -10.933 5.583 4.412 1.00 0.00 N ATOM 333 CA TYR A 49 -9.729 6.357 4.689 1.00 0.00 C ATOM 334 C TYR A 49 -9.287 6.997 3.382 1.00 0.00 C ATOM 335 O TYR A 49 -9.219 6.304 2.372 1.00 0.00 O ATOM 336 CB TYR A 49 -8.626 5.413 5.199 1.00 0.00 C ATOM 337 CG TYR A 49 -7.216 5.964 5.373 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.991 7.260 5.875 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.110 5.132 5.087 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.676 7.702 6.106 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.798 5.564 5.360 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.595 6.829 5.931 1.00 0.00 C ATOM 343 OH TYR A 49 -3.355 7.258 6.291 1.00 0.00 O ATOM 0 H TYR A 49 -10.779 4.834 3.737 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.920 7.119 5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.948 5.018 6.163 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.569 4.569 4.512 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.826 7.913 6.082 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.273 4.156 4.655 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.499 8.720 6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.956 4.927 5.132 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.719 7.060 5.572 1.00 0.00 H new ATOM 344 N GLY A 50 -9.006 8.301 3.377 1.00 0.00 N ATOM 345 CA GLY A 50 -8.502 8.956 2.188 1.00 0.00 C ATOM 346 C GLY A 50 -8.519 10.474 2.272 1.00 0.00 C ATOM 347 O GLY A 50 -8.865 11.070 3.288 1.00 0.00 O ATOM 0 H GLY A 50 -9.121 8.915 4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.480 8.623 2.006 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.098 8.642 1.331 1.00 0.00 H new ATOM 348 N GLY A 51 -8.071 11.049 1.163 1.00 0.00 N ATOM 349 CA GLY A 51 -7.851 12.410 0.795 1.00 0.00 C ATOM 350 C GLY A 51 -7.407 12.430 -0.662 1.00 0.00 C ATOM 351 O GLY A 51 -7.448 11.405 -1.338 1.00 0.00 O ATOM 0 H GLY A 51 -7.816 10.448 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.762 12.993 0.925 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.090 12.860 1.433 1.00 0.00 H new ATOM 352 N GLU A 52 -6.953 13.589 -1.122 1.00 0.00 N ATOM 353 CA GLU A 52 -6.520 13.807 -2.500 1.00 0.00 C ATOM 354 C GLU A 52 -5.384 12.860 -2.921 1.00 0.00 C ATOM 355 O GLU A 52 -5.527 12.120 -3.890 1.00 0.00 O ATOM 356 CB GLU A 52 -6.165 15.291 -2.703 1.00 0.00 C ATOM 357 CG GLU A 52 -5.172 15.894 -1.697 1.00 0.00 C ATOM 358 CD GLU A 52 -4.980 17.386 -1.953 1.00 0.00 C ATOM 359 OE1 GLU A 52 -5.838 18.156 -1.470 1.00 0.00 O ATOM 360 OE2 GLU A 52 -3.986 17.723 -2.630 1.00 0.00 O ATOM 0 H GLU A 52 -6.873 14.421 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.350 13.562 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.753 15.411 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.086 15.872 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.537 15.739 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.213 15.381 -1.773 1.00 0.00 H new ATOM 361 N ARG A 53 -4.262 12.847 -2.197 1.00 0.00 N ATOM 362 CA ARG A 53 -3.116 11.992 -2.513 1.00 0.00 C ATOM 363 C ARG A 53 -3.589 10.536 -2.493 1.00 0.00 C ATOM 364 O ARG A 53 -3.392 9.754 -3.422 1.00 0.00 O ATOM 365 CB ARG A 53 -2.017 12.264 -1.474 1.00 0.00 C ATOM 366 CG ARG A 53 -1.416 13.667 -1.654 1.00 0.00 C ATOM 367 CD ARG A 53 -0.927 14.281 -0.336 1.00 0.00 C ATOM 368 NE ARG A 53 0.203 13.542 0.245 1.00 0.00 N ATOM 369 CZ ARG A 53 0.183 12.728 1.311 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.964 12.390 1.907 1.00 0.00 N ATOM 371 NH2 ARG A 53 1.345 12.264 1.781 1.00 0.00 N ATOM 0 H ARG A 53 -4.123 13.431 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.705 12.200 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.431 12.169 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.231 11.514 -1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.583 13.613 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.164 14.323 -2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.630 15.315 -0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.750 14.301 0.379 1.00 0.00 H new ATOM 0 HE ARG A 53 1.105 13.662 -0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.849 12.753 1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.955 11.769 2.716 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.220 12.530 1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.356 11.644 2.590 1.00 0.00 H new ATOM 372 N LYS A 54 -4.302 10.232 -1.416 1.00 0.00 N ATOM 373 CA LYS A 54 -4.936 8.987 -1.072 1.00 0.00 C ATOM 374 C LYS A 54 -5.971 8.535 -2.123 1.00 0.00 C ATOM 375 O LYS A 54 -6.415 7.386 -2.091 1.00 0.00 O ATOM 376 CB LYS A 54 -5.525 9.226 0.304 1.00 0.00 C ATOM 377 CG LYS A 54 -4.427 9.392 1.372 1.00 0.00 C ATOM 378 CD LYS A 54 -4.972 9.918 2.712 1.00 0.00 C ATOM 379 CE LYS A 54 -3.828 10.312 3.650 1.00 0.00 C ATOM 380 NZ LYS A 54 -3.080 9.137 4.123 1.00 0.00 N ATOM 0 H LYS A 54 -4.461 10.933 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.231 8.156 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.150 10.119 0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.172 8.391 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.938 8.432 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.666 10.078 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.615 10.780 2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.588 9.153 3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.150 10.990 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.230 10.855 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.074 9.382 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.454 8.836 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.182 8.361 3.438 1.00 0.00 H new ATOM 381 N ALA A 55 -6.366 9.403 -3.063 1.00 0.00 N ATOM 382 CA ALA A 55 -7.296 9.036 -4.122 1.00 0.00 C ATOM 383 C ALA A 55 -6.551 8.129 -5.099 1.00 0.00 C ATOM 384 O ALA A 55 -7.096 7.130 -5.568 1.00 0.00 O ATOM 385 CB ALA A 55 -7.831 10.282 -4.831 1.00 0.00 C ATOM 0 H ALA A 55 -6.049 10.371 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.157 8.513 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.524 9.984 -5.618 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.350 10.915 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.001 10.836 -5.269 1.00 0.00 H new ATOM 386 N MET A 56 -5.286 8.466 -5.381 1.00 0.00 N ATOM 387 CA MET A 56 -4.444 7.667 -6.259 1.00 0.00 C ATOM 388 C MET A 56 -4.333 6.280 -5.628 1.00 0.00 C ATOM 389 O MET A 56 -4.492 5.259 -6.293 1.00 0.00 O ATOM 390 CB MET A 56 -3.063 8.319 -6.424 1.00 0.00 C ATOM 391 CG MET A 56 -3.140 9.782 -6.885 1.00 0.00 C ATOM 392 SD MET A 56 -4.084 10.080 -8.401 1.00 0.00 S ATOM 393 CE MET A 56 -4.014 11.884 -8.451 1.00 0.00 C ATOM 0 H MET A 56 -4.826 9.296 -5.006 1.00 0.00 H new ATOM 0 HA MET A 56 -4.876 7.595 -7.257 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.529 8.271 -5.475 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.481 7.747 -7.146 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.581 10.374 -6.083 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.125 10.151 -7.033 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.550 12.245 -9.329 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.476 12.291 -7.551 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.974 12.206 -8.503 1.00 0.00 H new ATOM 394 N MET A 57 -4.100 6.268 -4.313 1.00 0.00 N ATOM 395 CA MET A 57 -4.013 5.049 -3.533 1.00 0.00 C ATOM 396 C MET A 57 -5.293 4.245 -3.697 1.00 0.00 C ATOM 397 O MET A 57 -5.240 3.097 -4.117 1.00 0.00 O ATOM 398 CB MET A 57 -3.760 5.402 -2.064 1.00 0.00 C ATOM 399 CG MET A 57 -2.264 5.415 -1.764 1.00 0.00 C ATOM 400 SD MET A 57 -1.439 3.858 -2.158 1.00 0.00 S ATOM 401 CE MET A 57 -2.380 2.669 -1.174 1.00 0.00 C ATOM 0 H MET A 57 -3.966 7.116 -3.763 1.00 0.00 H new ATOM 0 HA MET A 57 -3.183 4.438 -3.886 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.190 6.378 -1.840 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.259 4.679 -1.419 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.795 6.220 -2.330 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.115 5.639 -0.708 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.147 1.657 -1.506 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.114 2.776 -0.122 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.446 2.856 -1.300 1.00 0.00 H new ATOM 402 N THR A 58 -6.441 4.837 -3.373 1.00 0.00 N ATOM 403 CA THR A 58 -7.743 4.213 -3.532 1.00 0.00 C ATOM 404 C THR A 58 -7.833 3.583 -4.922 1.00 0.00 C ATOM 405 O THR A 58 -8.194 2.418 -5.037 1.00 0.00 O ATOM 406 CB THR A 58 -8.841 5.261 -3.291 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.698 5.793 -1.987 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.240 4.653 -3.421 1.00 0.00 C ATOM 0 H THR A 58 -6.488 5.780 -2.986 1.00 0.00 H new ATOM 0 HA THR A 58 -7.883 3.417 -2.800 1.00 0.00 H new ATOM 0 HB THR A 58 -8.732 6.041 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.984 6.464 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.990 5.424 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.368 4.246 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.360 3.855 -2.688 1.00 0.00 H new ATOM 409 N ASN A 59 -7.458 4.315 -5.976 1.00 0.00 N ATOM 410 CA ASN A 59 -7.496 3.779 -7.334 1.00 0.00 C ATOM 411 C ASN A 59 -6.557 2.571 -7.471 1.00 0.00 C ATOM 412 O ASN A 59 -6.922 1.587 -8.114 1.00 0.00 O ATOM 413 CB ASN A 59 -7.119 4.874 -8.343 1.00 0.00 C ATOM 414 CG ASN A 59 -7.544 4.577 -9.784 1.00 0.00 C ATOM 415 OD1 ASN A 59 -7.817 5.503 -10.539 1.00 0.00 O ATOM 416 ND2 ASN A 59 -7.621 3.318 -10.213 1.00 0.00 N ATOM 0 H ASN A 59 -7.126 5.277 -5.912 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.511 3.442 -7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.574 5.813 -8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.039 5.019 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.908 3.123 -11.172 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.393 2.549 -9.582 1.00 0.00 H new ATOM 417 N ALA A 60 -5.347 2.642 -6.908 1.00 0.00 N ATOM 418 CA ALA A 60 -4.367 1.563 -6.973 1.00 0.00 C ATOM 419 C ALA A 60 -4.854 0.316 -6.226 1.00 0.00 C ATOM 420 O ALA A 60 -4.609 -0.810 -6.650 1.00 0.00 O ATOM 421 CB ALA A 60 -3.047 2.043 -6.352 1.00 0.00 C ATOM 0 H ALA A 60 -5.021 3.459 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.222 1.296 -8.020 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.310 1.241 -6.398 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.678 2.907 -6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.215 2.323 -5.312 1.00 0.00 H new ATOM 422 N VAL A 61 -5.544 0.540 -5.111 1.00 0.00 N ATOM 423 CA VAL A 61 -6.050 -0.451 -4.179 1.00 0.00 C ATOM 424 C VAL A 61 -7.402 -1.055 -4.568 1.00 0.00 C ATOM 425 O VAL A 61 -7.644 -2.215 -4.247 1.00 0.00 O ATOM 426 CB VAL A 61 -6.124 0.258 -2.814 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.855 -0.522 -1.733 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.722 0.522 -2.265 1.00 0.00 C ATOM 0 H VAL A 61 -5.778 1.489 -4.819 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.381 -1.311 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.678 1.173 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.857 0.054 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.882 -0.706 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.350 -1.474 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.798 1.024 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.195 -0.424 -2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.172 1.155 -2.961 1.00 0.00 H new ATOM 429 N LYS A 62 -8.284 -0.316 -5.245 1.00 0.00 N ATOM 430 CA LYS A 62 -9.630 -0.779 -5.586 1.00 0.00 C ATOM 431 C LYS A 62 -9.661 -2.150 -6.270 1.00 0.00 C ATOM 432 O LYS A 62 -10.617 -2.902 -6.104 1.00 0.00 O ATOM 433 CB LYS A 62 -10.337 0.274 -6.457 1.00 0.00 C ATOM 434 CG LYS A 62 -11.853 0.238 -6.245 1.00 0.00 C ATOM 435 CD LYS A 62 -12.244 0.988 -4.962 1.00 0.00 C ATOM 436 CE LYS A 62 -13.748 0.888 -4.694 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.099 1.539 -3.419 1.00 0.00 N ATOM 0 H LYS A 62 -8.082 0.628 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.162 -0.907 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.956 1.266 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.109 0.094 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.355 0.688 -7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.192 -0.796 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.694 0.576 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.957 2.036 -5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.299 1.356 -5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.048 -0.160 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.111 1.400 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.539 1.120 -2.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.895 2.557 -3.481 1.00 0.00 H new ATOM 438 N LYS A 63 -8.633 -2.473 -7.056 1.00 0.00 N ATOM 439 CA LYS A 63 -8.546 -3.749 -7.757 1.00 0.00 C ATOM 440 C LYS A 63 -8.305 -4.932 -6.801 1.00 0.00 C ATOM 441 O LYS A 63 -8.437 -6.081 -7.218 1.00 0.00 O ATOM 442 CB LYS A 63 -7.448 -3.655 -8.828 1.00 0.00 C ATOM 443 CG LYS A 63 -6.047 -3.479 -8.224 1.00 0.00 C ATOM 444 CD LYS A 63 -4.950 -3.306 -9.284 1.00 0.00 C ATOM 445 CE LYS A 63 -5.151 -2.089 -10.196 1.00 0.00 C ATOM 446 NZ LYS A 63 -5.431 -0.864 -9.427 1.00 0.00 N ATOM 0 H LYS A 63 -7.839 -1.855 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.505 -3.947 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.465 -4.557 -9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.662 -2.816 -9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.048 -2.610 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.813 -4.346 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.986 -3.217 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.908 -4.205 -9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.258 -1.940 -10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.975 -2.283 -10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.998 -0.048 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.459 -0.722 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.034 -0.956 -8.470 1.00 0.00 H new ATOM 447 N TYR A 64 -7.909 -4.676 -5.549 1.00 0.00 N ATOM 448 CA TYR A 64 -7.644 -5.663 -4.533 1.00 0.00 C ATOM 449 C TYR A 64 -8.833 -5.715 -3.577 1.00 0.00 C ATOM 450 O TYR A 64 -9.859 -5.062 -3.746 1.00 0.00 O ATOM 451 CB TYR A 64 -6.331 -5.275 -3.827 1.00 0.00 C ATOM 452 CG TYR A 64 -5.119 -5.133 -4.735 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.882 -6.056 -5.773 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.189 -4.104 -4.502 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.753 -5.917 -6.598 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.043 -3.990 -5.309 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.818 -4.902 -6.353 1.00 0.00 C ATOM 458 OH TYR A 64 -1.707 -4.823 -7.139 1.00 0.00 O ATOM 0 H TYR A 64 -7.762 -3.724 -5.215 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.522 -6.661 -4.953 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.485 -4.331 -3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.110 -6.027 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.570 -6.873 -5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.355 -3.399 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.605 -6.596 -7.425 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.333 -3.198 -5.125 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.910 -4.997 -6.597 1.00 0.00 H new ATOM 459 N SER A 65 -8.662 -6.540 -2.560 1.00 0.00 N ATOM 460 CA SER A 65 -9.574 -6.843 -1.482 1.00 0.00 C ATOM 461 C SER A 65 -8.724 -7.462 -0.386 1.00 0.00 C ATOM 462 O SER A 65 -7.556 -7.765 -0.623 1.00 0.00 O ATOM 463 CB SER A 65 -10.657 -7.795 -1.972 1.00 0.00 C ATOM 464 OG SER A 65 -11.459 -8.251 -0.897 1.00 0.00 O ATOM 0 H SER A 65 -7.793 -7.065 -2.463 1.00 0.00 H new ATOM 0 HA SER A 65 -10.090 -5.958 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.283 -7.291 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.197 -8.647 -2.474 1.00 0.00 H new ATOM 0 HG SER A 65 -12.148 -8.859 -1.238 1.00 0.00 H new ATOM 465 N ASP A 66 -9.330 -7.675 0.777 1.00 0.00 N ATOM 466 CA ASP A 66 -8.723 -8.183 2.004 1.00 0.00 C ATOM 467 C ASP A 66 -7.636 -9.240 1.799 1.00 0.00 C ATOM 468 O ASP A 66 -6.586 -9.157 2.428 1.00 0.00 O ATOM 469 CB ASP A 66 -9.823 -8.728 2.918 1.00 0.00 C ATOM 470 CG ASP A 66 -10.741 -7.606 3.378 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.386 -6.969 4.393 1.00 0.00 O ATOM 472 OD2 ASP A 66 -11.758 -7.382 2.688 1.00 0.00 O ATOM 0 H ASP A 66 -10.325 -7.485 0.896 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.210 -7.337 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.402 -9.485 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.375 -9.217 3.783 1.00 0.00 H new ATOM 473 N GLU A 67 -7.861 -10.225 0.931 1.00 0.00 N ATOM 474 CA GLU A 67 -6.882 -11.285 0.705 1.00 0.00 C ATOM 475 C GLU A 67 -5.622 -10.749 0.007 1.00 0.00 C ATOM 476 O GLU A 67 -4.489 -11.063 0.381 1.00 0.00 O ATOM 477 CB GLU A 67 -7.553 -12.395 -0.122 1.00 0.00 C ATOM 478 CG GLU A 67 -6.696 -13.665 -0.227 1.00 0.00 C ATOM 479 CD GLU A 67 -6.520 -14.347 1.127 1.00 0.00 C ATOM 480 OE1 GLU A 67 -7.479 -15.031 1.546 1.00 0.00 O ATOM 481 OE2 GLU A 67 -5.439 -14.160 1.724 1.00 0.00 O ATOM 0 H GLU A 67 -8.711 -10.310 0.374 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.554 -11.689 1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.513 -12.647 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.761 -12.019 -1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.161 -14.360 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.718 -13.410 -0.635 1.00 0.00 H new ATOM 482 N GLU A 68 -5.824 -9.919 -1.016 1.00 0.00 N ATOM 483 CA GLU A 68 -4.746 -9.345 -1.800 1.00 0.00 C ATOM 484 C GLU A 68 -4.023 -8.348 -0.902 1.00 0.00 C ATOM 485 O GLU A 68 -2.801 -8.277 -0.884 1.00 0.00 O ATOM 486 CB GLU A 68 -5.345 -8.701 -3.052 1.00 0.00 C ATOM 487 CG GLU A 68 -5.877 -9.729 -4.065 1.00 0.00 C ATOM 488 CD GLU A 68 -7.133 -10.455 -3.589 1.00 0.00 C ATOM 489 OE1 GLU A 68 -8.004 -9.770 -3.009 1.00 0.00 O ATOM 490 OE2 GLU A 68 -7.198 -11.684 -3.805 1.00 0.00 O ATOM 0 H GLU A 68 -6.752 -9.627 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.025 -10.088 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.157 -8.036 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.587 -8.084 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.093 -9.223 -5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.098 -10.463 -4.270 1.00 0.00 H new ATOM 491 N LEU A 69 -4.811 -7.590 -0.144 1.00 0.00 N ATOM 492 CA LEU A 69 -4.385 -6.634 0.853 1.00 0.00 C ATOM 493 C LEU A 69 -3.465 -7.323 1.857 1.00 0.00 C ATOM 494 O LEU A 69 -2.382 -6.821 2.149 1.00 0.00 O ATOM 495 CB LEU A 69 -5.656 -6.109 1.527 1.00 0.00 C ATOM 496 CG LEU A 69 -6.028 -4.704 1.086 1.00 0.00 C ATOM 497 CD1 LEU A 69 -6.057 -4.489 -0.426 1.00 0.00 C ATOM 498 CD2 LEU A 69 -7.372 -4.309 1.703 1.00 0.00 C ATOM 0 H LEU A 69 -5.827 -7.636 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.825 -5.808 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.483 -6.784 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.517 -6.119 2.608 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.228 -4.059 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.332 -3.457 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.071 -4.696 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.788 -5.161 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.636 -3.301 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.142 -5.007 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.296 -4.338 2.790 1.00 0.00 H new ATOM 499 N LYS A 70 -3.894 -8.470 2.385 1.00 0.00 N ATOM 500 CA LYS A 70 -3.112 -9.248 3.328 1.00 0.00 C ATOM 501 C LYS A 70 -1.786 -9.632 2.673 1.00 0.00 C ATOM 502 O LYS A 70 -0.734 -9.435 3.276 1.00 0.00 O ATOM 503 CB LYS A 70 -3.907 -10.492 3.750 1.00 0.00 C ATOM 504 CG LYS A 70 -3.178 -11.337 4.808 1.00 0.00 C ATOM 505 CD LYS A 70 -3.647 -12.800 4.789 1.00 0.00 C ATOM 506 CE LYS A 70 -2.782 -13.691 3.882 1.00 0.00 C ATOM 507 NZ LYS A 70 -2.818 -13.280 2.467 1.00 0.00 N ATOM 0 H LYS A 70 -4.801 -8.882 2.165 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.902 -8.663 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.875 -10.182 4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.102 -11.108 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.104 -11.297 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.352 -10.912 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.628 -13.196 5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.682 -12.841 4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.751 -13.667 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.123 -14.723 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.217 -13.916 1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.796 -13.328 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.466 -12.305 2.380 1.00 0.00 H new ATOM 508 N ALA A 71 -1.823 -10.172 1.447 1.00 0.00 N ATOM 509 CA ALA A 71 -0.599 -10.564 0.759 1.00 0.00 C ATOM 510 C ALA A 71 0.317 -9.355 0.598 1.00 0.00 C ATOM 511 O ALA A 71 1.516 -9.435 0.872 1.00 0.00 O ATOM 512 CB ALA A 71 -0.936 -11.199 -0.595 1.00 0.00 C ATOM 0 H ALA A 71 -2.680 -10.343 0.921 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.071 -11.309 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.015 -11.488 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.556 -12.081 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.477 -10.480 -1.210 1.00 0.00 H new ATOM 513 N LEU A 72 -0.241 -8.217 0.178 1.00 0.00 N ATOM 514 CA LEU A 72 0.556 -7.028 -0.007 1.00 0.00 C ATOM 515 C LEU A 72 1.196 -6.572 1.282 1.00 0.00 C ATOM 516 O LEU A 72 2.407 -6.393 1.318 1.00 0.00 O ATOM 517 CB LEU A 72 -0.356 -5.920 -0.511 1.00 0.00 C ATOM 518 CG LEU A 72 -0.471 -6.081 -2.012 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.443 -5.046 -2.521 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.895 -5.802 -2.623 1.00 0.00 C ATOM 0 H LEU A 72 -1.232 -8.106 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 72 1.351 -7.254 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.337 -5.986 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.053 -4.941 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.809 -7.084 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.543 -5.142 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.415 -5.198 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.074 -4.050 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.838 -5.912 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.203 -4.786 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.623 -6.508 -2.224 1.00 0.00 H new ATOM 521 N ALA A 73 0.388 -6.351 2.319 1.00 0.00 N ATOM 522 CA ALA A 73 0.904 -5.874 3.582 1.00 0.00 C ATOM 523 C ALA A 73 1.931 -6.861 4.118 1.00 0.00 C ATOM 524 O ALA A 73 2.966 -6.426 4.606 1.00 0.00 O ATOM 525 CB ALA A 73 -0.229 -5.707 4.597 1.00 0.00 C ATOM 0 H ALA A 73 -0.621 -6.497 2.300 1.00 0.00 H new ATOM 0 HA ALA A 73 1.375 -4.904 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.179 -5.347 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.954 -4.987 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.720 -6.667 4.756 1.00 0.00 H new ATOM 526 N ASP A 74 1.660 -8.170 4.044 1.00 0.00 N ATOM 527 CA ASP A 74 2.612 -9.171 4.503 1.00 0.00 C ATOM 528 C ASP A 74 3.954 -8.914 3.820 1.00 0.00 C ATOM 529 O ASP A 74 4.983 -8.842 4.489 1.00 0.00 O ATOM 530 CB ASP A 74 2.103 -10.582 4.192 1.00 0.00 C ATOM 531 CG ASP A 74 3.173 -11.618 4.512 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.356 -11.896 5.717 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.808 -12.095 3.548 1.00 0.00 O ATOM 0 H ASP A 74 0.791 -8.553 3.671 1.00 0.00 H new ATOM 0 HA ASP A 74 2.733 -9.098 5.584 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.204 -10.787 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.825 -10.651 3.140 1.00 0.00 H new ATOM 534 N TYR A 75 3.932 -8.742 2.494 1.00 0.00 N ATOM 535 CA TYR A 75 5.147 -8.466 1.753 1.00 0.00 C ATOM 536 C TYR A 75 5.741 -7.121 2.149 1.00 0.00 C ATOM 537 O TYR A 75 6.789 -7.076 2.781 1.00 0.00 O ATOM 538 CB TYR A 75 4.896 -8.530 0.247 1.00 0.00 C ATOM 539 CG TYR A 75 6.158 -8.191 -0.523 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.247 -9.079 -0.452 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.354 -6.892 -1.033 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.506 -8.696 -0.940 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.624 -6.501 -1.494 1.00 0.00 C ATOM 544 CZ TYR A 75 8.696 -7.409 -1.463 1.00 0.00 C ATOM 545 OH TYR A 75 9.909 -7.061 -1.968 1.00 0.00 O ATOM 0 H TYR A 75 3.088 -8.790 1.924 1.00 0.00 H new ATOM 0 HA TYR A 75 5.873 -9.238 2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.554 -9.528 -0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.101 -7.835 -0.024 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.114 -10.060 -0.020 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.529 -6.196 -1.070 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.330 -9.394 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.776 -5.501 -1.873 1.00 0.00 H new ATOM 0 HH TYR A 75 10.405 -6.544 -1.300 1.00 0.00 H new ATOM 546 N MET A 76 5.078 -6.034 1.759 1.00 0.00 N ATOM 547 CA MET A 76 5.497 -4.656 1.993 1.00 0.00 C ATOM 548 C MET A 76 5.953 -4.404 3.432 1.00 0.00 C ATOM 549 O MET A 76 6.858 -3.609 3.650 1.00 0.00 O ATOM 550 CB MET A 76 4.350 -3.727 1.587 1.00 0.00 C ATOM 551 CG MET A 76 4.291 -2.336 2.206 1.00 0.00 C ATOM 552 SD MET A 76 3.095 -1.299 1.339 1.00 0.00 S ATOM 553 CE MET A 76 1.725 -2.470 1.140 1.00 0.00 C ATOM 0 H MET A 76 4.196 -6.094 1.249 1.00 0.00 H new ATOM 0 HA MET A 76 6.375 -4.450 1.381 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.387 -3.607 0.504 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.414 -4.234 1.820 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.017 -2.413 3.258 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.277 -1.873 2.166 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.847 -1.943 0.766 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.011 -3.247 0.431 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.492 -2.925 2.103 1.00 0.00 H new ATOM 554 N SER A 77 5.332 -5.031 4.430 1.00 0.00 N ATOM 555 CA SER A 77 5.775 -4.824 5.809 1.00 0.00 C ATOM 556 C SER A 77 7.260 -5.192 5.929 1.00 0.00 C ATOM 557 O SER A 77 7.995 -4.518 6.647 1.00 0.00 O ATOM 558 CB SER A 77 4.893 -5.582 6.810 1.00 0.00 C ATOM 559 OG SER A 77 5.065 -5.059 8.116 1.00 0.00 O ATOM 0 H SER A 77 4.544 -5.668 4.317 1.00 0.00 H new ATOM 0 HA SER A 77 5.667 -3.770 6.064 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.847 -5.503 6.515 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.148 -6.642 6.799 1.00 0.00 H new ATOM 0 HG SER A 77 4.965 -4.084 8.094 1.00 0.00 H new ATOM 560 N LYS A 78 7.710 -6.244 5.232 1.00 0.00 N ATOM 561 CA LYS A 78 9.126 -6.589 5.213 1.00 0.00 C ATOM 562 C LYS A 78 9.789 -5.656 4.187 1.00 0.00 C ATOM 563 O LYS A 78 10.795 -5.001 4.466 1.00 0.00 O ATOM 564 CB LYS A 78 9.308 -8.063 4.814 1.00 0.00 C ATOM 565 CG LYS A 78 8.411 -9.001 5.632 1.00 0.00 C ATOM 566 CD LYS A 78 8.686 -10.463 5.254 1.00 0.00 C ATOM 567 CE LYS A 78 7.653 -11.404 5.885 1.00 0.00 C ATOM 568 NZ LYS A 78 6.328 -11.268 5.252 1.00 0.00 N ATOM 0 H LYS A 78 7.115 -6.862 4.680 1.00 0.00 H new ATOM 0 HA LYS A 78 9.580 -6.465 6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.083 -8.181 3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.351 -8.349 4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.593 -8.853 6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.363 -8.762 5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.665 -10.571 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.686 -10.744 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.996 -12.434 5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.570 -11.190 6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.622 -11.789 5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.064 -10.263 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.362 -11.656 4.288 1.00 0.00 H new ATOM 569 N LEU A 79 9.121 -5.577 3.033 1.00 0.00 N ATOM 570 CA LEU A 79 9.428 -4.835 1.824 1.00 0.00 C ATOM 571 C LEU A 79 10.523 -5.580 1.049 1.00 0.00 C ATOM 572 O LEU A 79 11.200 -6.443 1.651 1.00 0.00 O ATOM 573 CB LEU A 79 9.779 -3.365 2.129 1.00 0.00 C ATOM 574 CG LEU A 79 9.193 -2.294 1.182 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.090 -2.704 -0.275 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.783 -1.821 1.501 1.00 0.00 C ATOM 577 OXT LEU A 79 10.624 -5.331 -0.172 1.00 0.00 O ATOM 0 H LEU A 79 8.250 -6.096 2.919 1.00 0.00 H new ATOM 0 HA LEU A 79 8.545 -4.783 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.446 -3.140 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.865 -3.267 2.121 1.00 0.00 H new ATOM 0 HG LEU A 79 9.932 -1.510 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.667 -1.884 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.082 -2.944 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.446 -3.579 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.477 -1.071 0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.097 -2.667 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.763 -1.385 2.500 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.906 3.865 -2.168 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.777 5.132 0.974 1.00 5.52 C HETATM 581 CHB HEM A 80 0.239 0.741 -0.929 1.00 7.91 C HETATM 582 CHC HEM A 80 0.752 2.616 -5.354 1.00 6.02 C HETATM 583 CHD HEM A 80 1.173 7.066 -3.407 1.00 10.53 C HETATM 584 NA HEM A 80 0.628 3.091 -0.366 1.00 6.22 N HETATM 585 C1A HEM A 80 0.611 3.776 0.824 1.00 6.23 C HETATM 586 C2A HEM A 80 0.382 2.896 1.924 1.00 8.27 C HETATM 587 C3A HEM A 80 0.285 1.657 1.414 1.00 7.07 C HETATM 588 C4A HEM A 80 0.403 1.774 -0.021 1.00 9.92 C HETATM 589 CMA HEM A 80 0.133 0.399 2.186 1.00 7.00 C HETATM 590 CAA HEM A 80 0.297 3.348 3.351 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.839 4.352 3.581 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.495 5.466 4.549 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.373 6.298 4.747 1.00 18.65 O HETATM 594 O2A HEM A 80 0.622 5.505 5.060 1.00 17.21 O HETATM 595 NB HEM A 80 0.504 2.068 -2.980 1.00 4.54 N HETATM 596 C1B HEM A 80 0.205 0.901 -2.308 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.156 -0.132 -3.239 1.00 5.88 C HETATM 598 C3B HEM A 80 0.169 0.325 -4.475 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.496 1.729 -4.318 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.706 -1.475 -2.851 1.00 4.31 C HETATM 601 CAB HEM A 80 0.235 -0.465 -5.763 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.061 -1.120 -6.251 1.00 6.48 C HETATM 603 NC HEM A 80 1.054 4.663 -3.995 1.00 3.58 N HETATM 604 C1C HEM A 80 0.974 3.983 -5.201 1.00 4.45 C HETATM 605 C2C HEM A 80 1.200 4.887 -6.296 1.00 5.77 C HETATM 606 C3C HEM A 80 1.493 6.102 -5.756 1.00 8.44 C HETATM 607 C4C HEM A 80 1.243 5.999 -4.320 1.00 11.13 C HETATM 608 CMC HEM A 80 1.190 4.470 -7.746 1.00 8.62 C HETATM 609 CAC HEM A 80 2.002 7.323 -6.487 1.00 3.39 C HETATM 610 CBC HEM A 80 0.891 8.106 -7.195 1.00 10.94 C HETATM 611 ND HEM A 80 0.811 5.742 -1.378 1.00 4.28 N HETATM 612 C1D HEM A 80 0.930 6.951 -2.028 1.00 5.02 C HETATM 613 C2D HEM A 80 0.823 8.041 -1.047 1.00 3.97 C HETATM 614 C3D HEM A 80 0.749 7.471 0.199 1.00 5.11 C HETATM 615 C4D HEM A 80 0.762 6.057 -0.037 1.00 9.05 C HETATM 616 CMD HEM A 80 0.786 9.508 -1.400 1.00 5.28 C HETATM 617 CAD HEM A 80 0.892 8.091 1.598 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.272 8.903 2.163 1.00 6.36 C HETATM 619 CGD HEM A 80 0.204 9.808 3.301 1.00 6.46 C HETATM 620 O1D HEM A 80 1.411 9.923 3.517 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.635 10.446 3.928 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.392 -0.339 1.579 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.438 0.596 3.093 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.117 0.015 2.453 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.364 -1.841 -3.640 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.270 -1.383 -1.923 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 0.115 -2.177 -2.709 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.856 5.305 -8.362 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.511 3.627 -7.878 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 2.196 4.176 -8.047 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 0.201 10.047 -0.655 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 0.328 9.635 -2.381 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 1.802 9.903 -1.420 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.065 -1.700 -7.174 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -1.980 -1.006 -5.675 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.133 9.008 -7.757 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.141 7.761 -7.136 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.712 3.817 3.955 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.120 4.791 2.624 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.244 3.802 3.642 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.148 2.481 3.995 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -1.049 8.230 2.527 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -0.718 9.507 1.373 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.770 8.737 1.585 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.101 7.282 2.298 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.933 5.501 1.977 1.00 5.52 H new HETATM 0 HHB HEM A 80 0.130 -0.259 -0.537 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.781 2.216 -6.357 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.319 8.061 -3.800 1.00 10.53 H new HETATM 0 HAB HEM A 80 1.166 -0.564 -6.321 1.00 6.35 H new HETATM 0 HAC HEM A 80 3.052 7.617 -6.508 1.00 3.39 H new