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 9 SER OG : rot 136:sc= 1 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -120:sc= 1.44 (180deg=-0.0917) USER MOD Set 1.3: A 64 TYR OH : rot -137:sc= 2.06 USER MOD Set 2.1: A 44 TYR OH : rot 69:sc= 1.29 USER MOD Set 2.2: A 49 TYR OH : rot -165:sc= 0.872 USER MOD Set 3.1: A 41 MET CE :methyl -161:sc= -0.919 (180deg=-1.77) USER MOD Set 3.2: A 76 MET CE :methyl -127:sc= -1.12 (180deg=-5.93!) USER MOD Set 3.3: A 80 HEM CMA :methyl -30:sc= -2.18 (180deg=-6.35!) USER MOD Single : A 1 ALA N :NH3+ -108:sc= 1.55 (180deg=0.0914) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.51 USER MOD Single : A 8 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00312) USER MOD Single : A 19 SER OG : rot 108:sc= 0.864 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0.677 (180deg=0.509) USER MOD Single : A 23 MET CE :methyl -174:sc= 0 (180deg=-0.0533) USER MOD Single : A 25 SER OG : rot 89:sc= 0.593 USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= 0.344 (180deg=-0.945!) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0.323 (180deg=0.251) USER MOD Single : A 32 GLN : amide:sc= -0.168 K(o=-0.17,f=-3.6!) USER MOD Single : A 38 TYR OH : rot 39:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= 0.283 (180deg=-0.0223) USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= 0.598 (180deg=0.198) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0.869 (180deg=0.593) USER MOD Single : A 48 SER OG : rot -41:sc= 0.702 USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 0.65 (180deg=0.649) USER MOD Single : A 56 MET CE :methyl -179:sc= 0 (180deg=-0.000474) USER MOD Single : A 57 MET CE :methyl 165:sc= -3.62 (180deg=-5.1!) USER MOD Single : A 58 THR OG1 : rot 81:sc= 0.958 USER MOD Single : A 59 ASN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -75:sc= 1.1 USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= 0.0902 (180deg=-0.595) USER MOD Single : A 75 TYR OH : rot -26:sc= 1.21 USER MOD Single : A 77 SER OG : rot -32:sc= 0.346 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 0.699 (180deg=0.548) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -3.28! (180deg=-3.28!) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.618 (180deg=-0.618) USER MOD Single : A 80 HEM CMD :methyl 150:sc= -0.101 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.117 -15.079 -1.070 1.00 0.00 N ATOM 2 CA ALA A 1 -0.703 -14.690 -2.429 1.00 0.00 C ATOM 3 C ALA A 1 0.673 -14.048 -2.320 1.00 0.00 C ATOM 4 O ALA A 1 1.100 -13.788 -1.196 1.00 0.00 O ATOM 5 CB ALA A 1 -1.703 -13.714 -3.057 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.076 -16.114 -0.978 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.478 -14.644 -0.374 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.090 -14.754 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.670 -15.568 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.369 -13.446 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.684 -14.185 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.768 -12.815 -2.444 1.00 0.00 H new ATOM 6 N ASP A 2 1.350 -13.796 -3.438 1.00 0.00 N ATOM 7 CA ASP A 2 2.669 -13.186 -3.439 1.00 0.00 C ATOM 8 C ASP A 2 2.509 -11.672 -3.336 1.00 0.00 C ATOM 9 O ASP A 2 2.362 -10.995 -4.350 1.00 0.00 O ATOM 10 CB ASP A 2 3.416 -13.583 -4.719 1.00 0.00 C ATOM 11 CG ASP A 2 3.607 -15.092 -4.808 1.00 0.00 C ATOM 12 OD1 ASP A 2 2.619 -15.760 -5.184 1.00 0.00 O ATOM 13 OD2 ASP A 2 4.722 -15.546 -4.475 1.00 0.00 O ATOM 0 H ASP A 2 0.994 -14.011 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 2 3.253 -13.535 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.860 -13.233 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.388 -13.090 -4.742 1.00 0.00 H new ATOM 14 N GLY A 3 2.534 -11.134 -2.114 1.00 0.00 N ATOM 15 CA GLY A 3 2.391 -9.704 -1.866 1.00 0.00 C ATOM 16 C GLY A 3 3.281 -8.869 -2.786 1.00 0.00 C ATOM 17 O GLY A 3 2.812 -7.951 -3.456 1.00 0.00 O ATOM 0 H GLY A 3 2.655 -11.686 -1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.350 -9.414 -2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.642 -9.490 -0.827 1.00 0.00 H new ATOM 18 N ALA A 4 4.564 -9.225 -2.862 1.00 0.00 N ATOM 19 CA ALA A 4 5.540 -8.541 -3.705 1.00 0.00 C ATOM 20 C ALA A 4 5.097 -8.456 -5.169 1.00 0.00 C ATOM 21 O ALA A 4 5.471 -7.517 -5.867 1.00 0.00 O ATOM 22 CB ALA A 4 6.877 -9.282 -3.623 1.00 0.00 C ATOM 0 H ALA A 4 4.957 -10.004 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 4 5.636 -7.520 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.612 -8.777 -4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.226 -9.290 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.747 -10.307 -3.970 1.00 0.00 H new ATOM 23 N ALA A 5 4.300 -9.420 -5.642 1.00 0.00 N ATOM 24 CA ALA A 5 3.848 -9.445 -7.019 1.00 0.00 C ATOM 25 C ALA A 5 2.679 -8.488 -7.211 1.00 0.00 C ATOM 26 O ALA A 5 2.443 -8.048 -8.333 1.00 0.00 O ATOM 27 CB ALA A 5 3.445 -10.869 -7.414 1.00 0.00 C ATOM 0 H ALA A 5 3.957 -10.197 -5.077 1.00 0.00 H new ATOM 0 HA ALA A 5 4.666 -9.122 -7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.107 -10.877 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.303 -11.533 -7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.638 -11.212 -6.766 1.00 0.00 H new ATOM 28 N LEU A 6 1.948 -8.146 -6.144 1.00 0.00 N ATOM 29 CA LEU A 6 0.827 -7.251 -6.240 1.00 0.00 C ATOM 30 C LEU A 6 1.387 -5.846 -6.011 1.00 0.00 C ATOM 31 O LEU A 6 0.871 -4.878 -6.572 1.00 0.00 O ATOM 32 CB LEU A 6 -0.207 -7.746 -5.226 1.00 0.00 C ATOM 33 CG LEU A 6 -1.056 -8.894 -5.793 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.526 -9.803 -4.651 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.264 -8.352 -6.562 1.00 0.00 C ATOM 0 H LEU A 6 2.129 -8.489 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 6 0.313 -7.221 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.302 -8.082 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.858 -6.920 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.442 -9.470 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.128 -10.616 -5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.659 -10.216 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.125 -9.224 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.849 -9.184 -6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.884 -7.756 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.920 -7.730 -7.388 1.00 0.00 H new ATOM 36 N TYR A 7 2.473 -5.729 -5.228 1.00 0.00 N ATOM 37 CA TYR A 7 3.100 -4.443 -4.975 1.00 0.00 C ATOM 38 C TYR A 7 3.815 -3.852 -6.204 1.00 0.00 C ATOM 39 O TYR A 7 4.161 -2.669 -6.198 1.00 0.00 O ATOM 40 CB TYR A 7 4.047 -4.573 -3.769 1.00 0.00 C ATOM 41 CG TYR A 7 4.139 -3.317 -2.921 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.974 -2.598 -2.597 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.364 -2.901 -2.370 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.074 -1.315 -2.047 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.438 -1.679 -1.679 1.00 0.00 C ATOM 46 CZ TYR A 7 4.329 -0.817 -1.670 1.00 0.00 C ATOM 47 OH TYR A 7 4.448 0.447 -1.179 1.00 0.00 O ATOM 0 H TYR A 7 2.927 -6.516 -4.764 1.00 0.00 H new ATOM 0 HA TYR A 7 2.310 -3.729 -4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.710 -5.399 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.043 -4.831 -4.128 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.003 -3.036 -2.773 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.244 -3.518 -2.477 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.188 -0.711 -1.914 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.343 -1.404 -1.158 1.00 0.00 H new ATOM 0 HH TYR A 7 5.387 0.629 -0.967 1.00 0.00 H new ATOM 48 N LYS A 8 4.035 -4.632 -7.269 1.00 0.00 N ATOM 49 CA LYS A 8 4.694 -4.135 -8.477 1.00 0.00 C ATOM 50 C LYS A 8 4.022 -2.855 -8.989 1.00 0.00 C ATOM 51 O LYS A 8 4.700 -1.881 -9.311 1.00 0.00 O ATOM 52 CB LYS A 8 4.685 -5.213 -9.569 1.00 0.00 C ATOM 53 CG LYS A 8 5.421 -6.500 -9.171 1.00 0.00 C ATOM 54 CD LYS A 8 6.876 -6.307 -8.712 1.00 0.00 C ATOM 55 CE LYS A 8 7.752 -5.558 -9.726 1.00 0.00 C ATOM 56 NZ LYS A 8 7.768 -6.228 -11.038 1.00 0.00 N ATOM 0 H LYS A 8 3.764 -5.614 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 8 5.727 -3.895 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.652 -5.457 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.142 -4.807 -10.471 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.865 -6.984 -8.368 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.412 -7.182 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.880 -5.760 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.318 -7.284 -8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.382 -4.539 -9.843 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.770 -5.485 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.397 -5.710 -11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.113 -7.203 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.805 -6.244 -11.431 1.00 0.00 H new ATOM 57 N SER A 9 2.687 -2.830 -9.010 1.00 0.00 N ATOM 58 CA SER A 9 1.878 -1.706 -9.460 1.00 0.00 C ATOM 59 C SER A 9 2.024 -0.454 -8.576 1.00 0.00 C ATOM 60 O SER A 9 1.449 0.584 -8.890 1.00 0.00 O ATOM 61 CB SER A 9 0.410 -2.174 -9.432 1.00 0.00 C ATOM 62 OG SER A 9 0.320 -3.585 -9.566 1.00 0.00 O ATOM 0 H SER A 9 2.124 -3.623 -8.702 1.00 0.00 H new ATOM 0 HA SER A 9 2.212 -1.416 -10.456 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.056 -1.864 -8.497 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.144 -1.693 -10.238 1.00 0.00 H new ATOM 0 HG SER A 9 -0.325 -3.935 -8.916 1.00 0.00 H new ATOM 63 N CYS A 10 2.751 -0.559 -7.462 1.00 0.00 N ATOM 64 CA CYS A 10 2.940 0.447 -6.429 1.00 0.00 C ATOM 65 C CYS A 10 4.386 0.927 -6.397 1.00 0.00 C ATOM 66 O CYS A 10 4.658 2.114 -6.194 1.00 0.00 O ATOM 67 CB CYS A 10 2.558 -0.224 -5.106 1.00 0.00 C ATOM 68 SG CYS A 10 1.153 -1.385 -5.216 1.00 0.00 S ATOM 0 H CYS A 10 3.259 -1.417 -7.248 1.00 0.00 H new ATOM 0 HA CYS A 10 2.325 1.327 -6.617 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.426 -0.761 -4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.315 0.551 -4.378 1.00 0.00 H new ATOM 69 N ILE A 11 5.309 -0.016 -6.616 1.00 0.00 N ATOM 70 CA ILE A 11 6.751 0.198 -6.676 1.00 0.00 C ATOM 71 C ILE A 11 7.082 1.416 -7.555 1.00 0.00 C ATOM 72 O ILE A 11 8.094 2.070 -7.328 1.00 0.00 O ATOM 73 CB ILE A 11 7.416 -1.129 -7.127 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.191 -1.800 -5.979 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.395 -0.952 -8.298 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.396 -2.049 -4.689 1.00 0.00 C ATOM 0 H ILE A 11 5.055 -0.993 -6.762 1.00 0.00 H new ATOM 0 HA ILE A 11 7.161 0.448 -5.698 1.00 0.00 H new ATOM 0 HB ILE A 11 6.583 -1.754 -7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.576 -2.755 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.054 -1.179 -5.737 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.824 -1.918 -8.563 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.864 -0.543 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.192 -0.269 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.041 -2.525 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.034 -1.099 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.548 -2.700 -4.904 1.00 0.00 H new ATOM 77 N GLY A 12 6.245 1.753 -8.541 1.00 0.00 N ATOM 78 CA GLY A 12 6.456 2.931 -9.369 1.00 0.00 C ATOM 79 C GLY A 12 6.562 4.208 -8.518 1.00 0.00 C ATOM 80 O GLY A 12 7.488 4.996 -8.703 1.00 0.00 O ATOM 0 H GLY A 12 5.411 1.218 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.367 2.807 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.633 3.032 -10.077 1.00 0.00 H new ATOM 81 N CYS A 13 5.625 4.416 -7.580 1.00 0.00 N ATOM 82 CA CYS A 13 5.624 5.601 -6.716 1.00 0.00 C ATOM 83 C CYS A 13 6.455 5.355 -5.459 1.00 0.00 C ATOM 84 O CYS A 13 7.151 6.256 -4.999 1.00 0.00 O ATOM 85 CB CYS A 13 4.208 5.993 -6.260 1.00 0.00 C ATOM 86 SG CYS A 13 3.174 6.944 -7.406 1.00 0.00 S ATOM 0 H CYS A 13 4.854 3.772 -7.402 1.00 0.00 H new ATOM 0 HA CYS A 13 6.048 6.407 -7.315 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.673 5.077 -6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.302 6.569 -5.339 1.00 0.00 H new ATOM 87 N HIS A 14 6.358 4.153 -4.886 1.00 0.00 N ATOM 88 CA HIS A 14 7.032 3.807 -3.638 1.00 0.00 C ATOM 89 C HIS A 14 8.513 3.443 -3.798 1.00 0.00 C ATOM 90 O HIS A 14 9.275 3.512 -2.834 1.00 0.00 O ATOM 91 CB HIS A 14 6.233 2.674 -2.991 1.00 0.00 C ATOM 92 CG HIS A 14 4.895 3.154 -2.508 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.761 3.795 -1.289 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.631 3.121 -3.046 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.483 4.183 -1.186 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.725 3.706 -2.171 1.00 0.00 N ATOM 0 H HIS A 14 5.806 3.390 -5.279 1.00 0.00 H new ATOM 0 HA HIS A 14 7.054 4.690 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.094 1.868 -3.711 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.797 2.261 -2.155 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.497 3.944 -0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.379 2.701 -4.009 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.109 4.813 -0.392 1.00 0.00 H new ATOM 97 N GLY A 15 8.952 3.091 -5.003 1.00 0.00 N ATOM 98 CA GLY A 15 10.325 2.700 -5.268 1.00 0.00 C ATOM 99 C GLY A 15 10.512 1.209 -5.006 1.00 0.00 C ATOM 100 O GLY A 15 9.748 0.610 -4.251 1.00 0.00 O ATOM 0 H GLY A 15 8.354 3.070 -5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.582 2.929 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.002 3.275 -4.636 1.00 0.00 H new ATOM 101 N ALA A 16 11.545 0.633 -5.633 1.00 0.00 N ATOM 102 CA ALA A 16 11.930 -0.777 -5.585 1.00 0.00 C ATOM 103 C ALA A 16 11.591 -1.468 -4.261 1.00 0.00 C ATOM 104 O ALA A 16 10.866 -2.459 -4.256 1.00 0.00 O ATOM 105 CB ALA A 16 13.432 -0.885 -5.869 1.00 0.00 C ATOM 0 H ALA A 16 12.173 1.177 -6.225 1.00 0.00 H new ATOM 0 HA ALA A 16 11.347 -1.297 -6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.734 -1.932 -5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.646 -0.476 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.986 -0.324 -5.116 1.00 0.00 H new ATOM 106 N ASP A 17 12.127 -0.956 -3.149 1.00 0.00 N ATOM 107 CA ASP A 17 11.948 -1.468 -1.813 1.00 0.00 C ATOM 108 C ASP A 17 11.140 -0.506 -0.938 1.00 0.00 C ATOM 109 O ASP A 17 11.421 -0.360 0.245 1.00 0.00 O ATOM 110 CB ASP A 17 13.321 -1.780 -1.205 1.00 0.00 C ATOM 111 CG ASP A 17 14.137 -0.528 -0.896 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.862 0.519 -1.530 1.00 0.00 O ATOM 113 OD2 ASP A 17 15.023 -0.634 -0.022 1.00 0.00 O ATOM 0 H ASP A 17 12.726 -0.131 -3.172 1.00 0.00 H new ATOM 0 HA ASP A 17 11.367 -2.389 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.184 -2.353 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.882 -2.411 -1.894 1.00 0.00 H new ATOM 114 N GLY A 18 10.157 0.178 -1.525 1.00 0.00 N ATOM 115 CA GLY A 18 9.254 1.093 -0.840 1.00 0.00 C ATOM 116 C GLY A 18 9.898 2.247 -0.066 1.00 0.00 C ATOM 117 O GLY A 18 9.281 2.768 0.868 1.00 0.00 O ATOM 0 H GLY A 18 9.964 0.105 -2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.575 1.517 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.647 0.514 -0.144 1.00 0.00 H new ATOM 118 N SER A 19 11.112 2.662 -0.444 1.00 0.00 N ATOM 119 CA SER A 19 11.823 3.735 0.243 1.00 0.00 C ATOM 120 C SER A 19 11.358 5.135 -0.163 1.00 0.00 C ATOM 121 O SER A 19 11.512 6.068 0.622 1.00 0.00 O ATOM 122 CB SER A 19 13.326 3.628 -0.033 1.00 0.00 C ATOM 123 OG SER A 19 13.832 2.399 0.438 1.00 0.00 O ATOM 0 H SER A 19 11.623 2.263 -1.231 1.00 0.00 H new ATOM 0 HA SER A 19 11.603 3.608 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.512 3.717 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.850 4.452 0.451 1.00 0.00 H new ATOM 0 HG SER A 19 14.035 1.816 -0.323 1.00 0.00 H new ATOM 124 N LYS A 20 10.845 5.325 -1.383 1.00 0.00 N ATOM 125 CA LYS A 20 10.437 6.654 -1.806 1.00 0.00 C ATOM 126 C LYS A 20 9.178 7.091 -1.068 1.00 0.00 C ATOM 127 O LYS A 20 8.208 6.340 -0.949 1.00 0.00 O ATOM 128 CB LYS A 20 10.178 6.718 -3.318 1.00 0.00 C ATOM 129 CG LYS A 20 11.446 6.547 -4.168 1.00 0.00 C ATOM 130 CD LYS A 20 11.200 6.981 -5.625 1.00 0.00 C ATOM 131 CE LYS A 20 10.320 5.988 -6.396 1.00 0.00 C ATOM 132 NZ LYS A 20 9.808 6.558 -7.655 1.00 0.00 N ATOM 0 H LYS A 20 10.707 4.589 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 20 11.259 7.328 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.462 5.942 -3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.716 7.675 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.256 7.138 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.765 5.505 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.726 7.963 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.157 7.085 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.896 5.089 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.481 5.685 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.998 5.996 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.506 7.540 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.559 6.540 -8.375 1.00 0.00 H new ATOM 133 N ALA A 21 9.199 8.338 -0.597 1.00 0.00 N ATOM 134 CA ALA A 21 8.070 8.967 0.062 1.00 0.00 C ATOM 135 C ALA A 21 7.087 9.327 -1.049 1.00 0.00 C ATOM 136 O ALA A 21 6.998 10.479 -1.463 1.00 0.00 O ATOM 137 CB ALA A 21 8.542 10.200 0.841 1.00 0.00 C ATOM 0 H ALA A 21 10.017 8.943 -0.667 1.00 0.00 H new ATOM 0 HA ALA A 21 7.592 8.312 0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.689 10.668 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.274 9.899 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.999 10.912 0.154 1.00 0.00 H new ATOM 138 N ALA A 22 6.388 8.306 -1.549 1.00 0.00 N ATOM 139 CA ALA A 22 5.454 8.354 -2.660 1.00 0.00 C ATOM 140 C ALA A 22 4.744 9.695 -2.847 1.00 0.00 C ATOM 141 O ALA A 22 4.043 10.138 -1.941 1.00 0.00 O ATOM 142 CB ALA A 22 4.453 7.206 -2.535 1.00 0.00 C ATOM 0 H ALA A 22 6.469 7.367 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 22 6.049 8.238 -3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.752 7.242 -3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.986 6.255 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.906 7.301 -1.597 1.00 0.00 H new ATOM 143 N MET A 23 4.944 10.277 -4.043 1.00 0.00 N ATOM 144 CA MET A 23 4.453 11.526 -4.633 1.00 0.00 C ATOM 145 C MET A 23 3.875 12.541 -3.646 1.00 0.00 C ATOM 146 O MET A 23 4.430 13.624 -3.484 1.00 0.00 O ATOM 147 CB MET A 23 3.431 11.188 -5.729 1.00 0.00 C ATOM 148 CG MET A 23 4.054 10.369 -6.871 1.00 0.00 C ATOM 149 SD MET A 23 5.487 11.080 -7.726 1.00 0.00 S ATOM 150 CE MET A 23 4.783 12.631 -8.327 1.00 0.00 C ATOM 0 H MET A 23 5.547 9.804 -4.716 1.00 0.00 H new ATOM 0 HA MET A 23 5.327 12.030 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.604 10.628 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.014 12.111 -6.132 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.349 9.400 -6.468 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.278 10.182 -7.613 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.508 13.137 -8.965 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.879 12.423 -8.899 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.537 13.271 -7.480 1.00 0.00 H new ATOM 151 N GLY A 24 2.735 12.224 -3.031 1.00 0.00 N ATOM 152 CA GLY A 24 2.092 13.080 -2.045 1.00 0.00 C ATOM 153 C GLY A 24 3.055 13.490 -0.929 1.00 0.00 C ATOM 154 O GLY A 24 2.891 14.552 -0.333 1.00 0.00 O ATOM 0 H GLY A 24 2.230 11.356 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.705 13.973 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.238 12.558 -1.614 1.00 0.00 H new ATOM 155 N SER A 25 4.036 12.625 -0.658 1.00 0.00 N ATOM 156 CA SER A 25 5.120 12.664 0.317 1.00 0.00 C ATOM 157 C SER A 25 4.805 11.587 1.347 1.00 0.00 C ATOM 158 O SER A 25 4.673 11.895 2.530 1.00 0.00 O ATOM 159 CB SER A 25 5.312 14.037 0.985 1.00 0.00 C ATOM 160 OG SER A 25 5.521 15.046 0.017 1.00 0.00 O ATOM 0 H SER A 25 4.091 11.761 -1.197 1.00 0.00 H new ATOM 0 HA SER A 25 6.067 12.482 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.435 14.280 1.585 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.163 13.999 1.665 1.00 0.00 H new ATOM 0 HG SER A 25 4.657 15.411 -0.267 1.00 0.00 H new ATOM 161 N ALA A 26 4.643 10.330 0.913 1.00 0.00 N ATOM 162 CA ALA A 26 4.289 9.292 1.863 1.00 0.00 C ATOM 163 C ALA A 26 5.350 9.033 2.921 1.00 0.00 C ATOM 164 O ALA A 26 6.540 9.162 2.662 1.00 0.00 O ATOM 165 CB ALA A 26 4.046 7.988 1.101 1.00 0.00 C ATOM 0 H ALA A 26 4.749 10.024 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 26 3.398 9.642 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.779 7.200 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.233 8.129 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.952 7.705 0.566 1.00 0.00 H new ATOM 166 N LYS A 27 4.926 8.648 4.125 1.00 0.00 N ATOM 167 CA LYS A 27 5.877 8.238 5.141 1.00 0.00 C ATOM 168 C LYS A 27 6.415 6.929 4.549 1.00 0.00 C ATOM 169 O LYS A 27 5.581 6.061 4.276 1.00 0.00 O ATOM 170 CB LYS A 27 5.216 7.985 6.506 1.00 0.00 C ATOM 171 CG LYS A 27 4.366 9.142 7.059 1.00 0.00 C ATOM 172 CD LYS A 27 2.953 9.294 6.468 1.00 0.00 C ATOM 173 CE LYS A 27 2.202 7.960 6.352 1.00 0.00 C ATOM 174 NZ LYS A 27 0.798 8.167 5.967 1.00 0.00 N ATOM 0 H LYS A 27 3.948 8.614 4.411 1.00 0.00 H new ATOM 0 HA LYS A 27 6.634 8.995 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.584 7.100 6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.997 7.754 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.274 9.013 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.908 10.073 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.376 9.976 7.093 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.026 9.750 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.694 7.327 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.246 7.432 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.183 7.989 6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.668 9.147 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.549 7.512 5.199 1.00 0.00 H new ATOM 175 N PRO A 28 7.728 6.794 4.279 1.00 0.00 N ATOM 176 CA PRO A 28 8.325 5.614 3.664 1.00 0.00 C ATOM 177 C PRO A 28 7.581 4.328 4.014 1.00 0.00 C ATOM 178 O PRO A 28 7.618 3.883 5.159 1.00 0.00 O ATOM 179 CB PRO A 28 9.779 5.612 4.135 1.00 0.00 C ATOM 180 CG PRO A 28 10.089 7.109 4.160 1.00 0.00 C ATOM 181 CD PRO A 28 8.778 7.730 4.652 1.00 0.00 C ATOM 0 HA PRO A 28 8.263 5.653 2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.892 5.153 5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.432 5.069 3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.919 7.337 4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.365 7.480 3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.799 7.883 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.612 8.705 4.195 1.00 0.00 H new ATOM 182 N VAL A 29 6.861 3.760 3.035 1.00 0.00 N ATOM 183 CA VAL A 29 6.094 2.542 3.253 1.00 0.00 C ATOM 184 C VAL A 29 7.055 1.462 3.786 1.00 0.00 C ATOM 185 O VAL A 29 6.645 0.608 4.571 1.00 0.00 O ATOM 186 CB VAL A 29 5.377 2.106 1.962 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.842 0.679 2.084 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.138 2.976 1.736 1.00 0.00 C ATOM 0 H VAL A 29 6.799 4.131 2.087 1.00 0.00 H new ATOM 0 HA VAL A 29 5.309 2.711 3.990 1.00 0.00 H new ATOM 0 HB VAL A 29 6.104 2.192 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.341 0.398 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.670 -0.005 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.134 0.625 2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.635 2.662 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.457 2.866 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.438 4.020 1.646 1.00 0.00 H new ATOM 189 N LYS A 30 8.327 1.481 3.355 1.00 0.00 N ATOM 190 CA LYS A 30 9.346 0.550 3.822 1.00 0.00 C ATOM 191 C LYS A 30 9.496 0.604 5.342 1.00 0.00 C ATOM 192 O LYS A 30 10.208 1.433 5.905 1.00 0.00 O ATOM 193 CB LYS A 30 10.700 0.880 3.207 1.00 0.00 C ATOM 194 CG LYS A 30 11.758 -0.197 3.492 1.00 0.00 C ATOM 195 CD LYS A 30 13.148 0.264 3.044 1.00 0.00 C ATOM 196 CE LYS A 30 14.199 -0.824 3.299 1.00 0.00 C ATOM 197 NZ LYS A 30 14.011 -1.990 2.416 1.00 0.00 N ATOM 0 H LYS A 30 8.671 2.151 2.667 1.00 0.00 H new ATOM 0 HA LYS A 30 9.024 -0.447 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.587 0.996 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.048 1.837 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.773 -0.424 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.492 -1.118 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.128 0.513 1.983 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.423 1.173 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.195 -0.409 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.144 -1.144 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.640 -2.761 2.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.022 -2.309 2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.238 -1.724 1.437 1.00 0.00 H new ATOM 198 N GLY A 31 8.831 -0.336 5.987 1.00 0.00 N ATOM 199 CA GLY A 31 8.868 -0.522 7.426 1.00 0.00 C ATOM 200 C GLY A 31 7.530 -0.261 8.093 1.00 0.00 C ATOM 201 O GLY A 31 7.431 -0.428 9.308 1.00 0.00 O ATOM 0 H GLY A 31 8.233 -1.011 5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.185 -1.541 7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.617 0.145 7.854 1.00 0.00 H new ATOM 202 N GLN A 32 6.504 0.175 7.349 1.00 0.00 N ATOM 203 CA GLN A 32 5.212 0.374 7.964 1.00 0.00 C ATOM 204 C GLN A 32 4.738 -1.014 8.452 1.00 0.00 C ATOM 205 O GLN A 32 5.076 -2.027 7.845 1.00 0.00 O ATOM 206 CB GLN A 32 4.245 1.089 7.006 1.00 0.00 C ATOM 207 CG GLN A 32 4.517 2.601 6.780 1.00 0.00 C ATOM 208 CD GLN A 32 3.356 3.290 6.036 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.212 2.917 6.271 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.577 4.273 5.146 1.00 0.00 N ATOM 0 H GLN A 32 6.552 0.387 6.352 1.00 0.00 H new ATOM 0 HA GLN A 32 5.260 1.043 8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.279 0.584 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.231 0.974 7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.672 3.089 7.742 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.437 2.723 6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.530 4.581 4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.792 4.711 4.664 1.00 0.00 H new ATOM 211 N GLY A 33 3.995 -1.097 9.560 1.00 0.00 N ATOM 212 CA GLY A 33 3.605 -2.391 10.135 1.00 0.00 C ATOM 213 C GLY A 33 2.458 -3.084 9.398 1.00 0.00 C ATOM 214 O GLY A 33 1.511 -2.416 9.018 1.00 0.00 O ATOM 0 H GLY A 33 3.652 -0.287 10.076 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.472 -3.051 10.137 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.316 -2.241 11.175 1.00 0.00 H new ATOM 215 N ALA A 34 2.484 -4.415 9.234 1.00 0.00 N ATOM 216 CA ALA A 34 1.460 -5.206 8.551 1.00 0.00 C ATOM 217 C ALA A 34 0.051 -4.798 8.960 1.00 0.00 C ATOM 218 O ALA A 34 -0.807 -4.588 8.110 1.00 0.00 O ATOM 219 CB ALA A 34 1.652 -6.695 8.868 1.00 0.00 C ATOM 0 H ALA A 34 3.250 -4.988 9.588 1.00 0.00 H new ATOM 0 HA ALA A 34 1.574 -5.022 7.483 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.886 -7.278 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.638 -7.015 8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.569 -6.852 9.943 1.00 0.00 H new ATOM 220 N GLU A 35 -0.184 -4.692 10.267 1.00 0.00 N ATOM 221 CA GLU A 35 -1.491 -4.309 10.790 1.00 0.00 C ATOM 222 C GLU A 35 -1.865 -2.911 10.286 1.00 0.00 C ATOM 223 O GLU A 35 -3.000 -2.673 9.881 1.00 0.00 O ATOM 224 CB GLU A 35 -1.463 -4.372 12.325 1.00 0.00 C ATOM 225 CG GLU A 35 -2.795 -3.959 12.974 1.00 0.00 C ATOM 226 CD GLU A 35 -3.984 -4.784 12.485 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.830 -6.023 12.422 1.00 0.00 O ATOM 228 OE2 GLU A 35 -5.026 -4.160 12.189 1.00 0.00 O ATOM 0 H GLU A 35 0.519 -4.867 10.985 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.254 -5.002 10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.214 -5.387 12.636 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.670 -3.722 12.694 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.711 -4.060 14.056 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.982 -2.905 12.766 1.00 0.00 H new ATOM 229 N GLU A 36 -0.896 -1.995 10.316 1.00 0.00 N ATOM 230 CA GLU A 36 -1.048 -0.621 9.875 1.00 0.00 C ATOM 231 C GLU A 36 -1.425 -0.630 8.395 1.00 0.00 C ATOM 232 O GLU A 36 -2.494 -0.166 8.007 1.00 0.00 O ATOM 233 CB GLU A 36 0.294 0.103 10.116 1.00 0.00 C ATOM 234 CG GLU A 36 0.201 1.631 10.137 1.00 0.00 C ATOM 235 CD GLU A 36 1.583 2.284 10.036 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.590 1.554 10.202 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.606 3.508 9.784 1.00 0.00 O ATOM 0 H GLU A 36 0.042 -2.202 10.659 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.832 -0.099 10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.709 -0.235 11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.997 -0.194 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.423 1.969 9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.287 1.953 11.057 1.00 0.00 H new ATOM 238 N LEU A 37 -0.530 -1.204 7.592 1.00 0.00 N ATOM 239 CA LEU A 37 -0.622 -1.362 6.158 1.00 0.00 C ATOM 240 C LEU A 37 -1.993 -1.920 5.792 1.00 0.00 C ATOM 241 O LEU A 37 -2.685 -1.375 4.940 1.00 0.00 O ATOM 242 CB LEU A 37 0.492 -2.327 5.722 1.00 0.00 C ATOM 243 CG LEU A 37 1.911 -1.745 5.836 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.950 -2.868 5.849 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.203 -0.883 4.618 1.00 0.00 C ATOM 0 H LEU A 37 0.336 -1.595 7.962 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.502 -0.405 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.432 -3.231 6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.315 -2.625 4.688 1.00 0.00 H new ATOM 0 HG LEU A 37 1.966 -1.165 6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.949 -2.439 5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.767 -3.524 6.700 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.876 -3.443 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.208 -0.470 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.131 -1.491 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.479 -0.069 4.566 1.00 0.00 H new ATOM 246 N TYR A 38 -2.391 -3.006 6.451 1.00 0.00 N ATOM 247 CA TYR A 38 -3.655 -3.669 6.209 1.00 0.00 C ATOM 248 C TYR A 38 -4.843 -2.795 6.573 1.00 0.00 C ATOM 249 O TYR A 38 -5.748 -2.648 5.760 1.00 0.00 O ATOM 250 CB TYR A 38 -3.707 -4.954 7.024 1.00 0.00 C ATOM 251 CG TYR A 38 -5.021 -5.696 6.882 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.350 -6.322 5.664 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.010 -5.533 7.870 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.652 -6.807 5.448 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.317 -5.989 7.642 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.638 -6.629 6.436 1.00 0.00 C ATOM 257 OH TYR A 38 -8.918 -7.048 6.233 1.00 0.00 O ATOM 0 H TYR A 38 -1.830 -3.451 7.178 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.719 -3.883 5.142 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.892 -5.608 6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.542 -4.717 8.075 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.600 -6.430 4.894 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.762 -5.055 8.806 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.895 -7.315 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.077 -5.847 8.396 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.910 -7.904 5.755 1.00 0.00 H new ATOM 258 N LYS A 39 -4.877 -2.245 7.789 1.00 0.00 N ATOM 259 CA LYS A 39 -6.001 -1.423 8.210 1.00 0.00 C ATOM 260 C LYS A 39 -6.160 -0.247 7.246 1.00 0.00 C ATOM 261 O LYS A 39 -7.268 0.113 6.845 1.00 0.00 O ATOM 262 CB LYS A 39 -5.756 -0.958 9.651 1.00 0.00 C ATOM 263 CG LYS A 39 -6.994 -0.288 10.261 1.00 0.00 C ATOM 264 CD LYS A 39 -6.721 0.253 11.673 1.00 0.00 C ATOM 265 CE LYS A 39 -6.194 -0.802 12.657 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.069 -1.986 12.723 1.00 0.00 N ATOM 0 H LYS A 39 -4.144 -2.355 8.490 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.930 -1.992 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.469 -1.813 10.263 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.920 -0.258 9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.318 0.529 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.812 -1.007 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.997 1.065 11.606 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.642 0.679 12.072 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.192 -1.109 12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.108 -0.360 13.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.296 -2.195 13.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.948 -1.798 12.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.582 -2.802 12.300 1.00 0.00 H new ATOM 267 N LYS A 40 -5.032 0.333 6.843 1.00 0.00 N ATOM 268 CA LYS A 40 -5.011 1.465 5.956 1.00 0.00 C ATOM 269 C LYS A 40 -5.473 1.056 4.558 1.00 0.00 C ATOM 270 O LYS A 40 -6.321 1.722 3.965 1.00 0.00 O ATOM 271 CB LYS A 40 -3.592 2.017 6.003 1.00 0.00 C ATOM 272 CG LYS A 40 -3.400 2.827 7.298 1.00 0.00 C ATOM 273 CD LYS A 40 -2.031 3.501 7.273 1.00 0.00 C ATOM 274 CE LYS A 40 -1.809 4.481 8.426 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.481 5.114 8.316 1.00 0.00 N ATOM 0 H LYS A 40 -4.106 0.019 7.132 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.706 2.248 6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.871 1.201 5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.407 2.650 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.186 3.577 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.480 2.172 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.257 2.734 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.914 4.032 6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.585 5.246 8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.891 3.957 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.516 6.068 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.220 4.542 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.209 5.179 7.314 1.00 0.00 H new ATOM 276 N MET A 41 -4.953 -0.050 4.021 1.00 0.00 N ATOM 277 CA MET A 41 -5.376 -0.509 2.717 1.00 0.00 C ATOM 278 C MET A 41 -6.840 -0.905 2.756 1.00 0.00 C ATOM 279 O MET A 41 -7.512 -0.713 1.758 1.00 0.00 O ATOM 280 CB MET A 41 -4.534 -1.678 2.239 1.00 0.00 C ATOM 281 CG MET A 41 -3.214 -1.170 1.666 1.00 0.00 C ATOM 282 SD MET A 41 -2.303 -2.434 0.767 1.00 0.00 S ATOM 283 CE MET A 41 -2.045 -3.585 2.124 1.00 0.00 C ATOM 0 H MET A 41 -4.246 -0.632 4.471 1.00 0.00 H new ATOM 0 HA MET A 41 -5.241 0.312 2.012 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.342 -2.361 3.066 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.077 -2.241 1.480 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.413 -0.331 1.000 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.594 -0.792 2.478 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.228 -4.263 1.876 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.794 -3.031 3.028 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.956 -4.160 2.292 1.00 0.00 H new ATOM 284 N LYS A 42 -7.347 -1.470 3.853 1.00 0.00 N ATOM 285 CA LYS A 42 -8.762 -1.789 3.941 1.00 0.00 C ATOM 286 C LYS A 42 -9.514 -0.463 3.802 1.00 0.00 C ATOM 287 O LYS A 42 -10.477 -0.363 3.047 1.00 0.00 O ATOM 288 CB LYS A 42 -9.073 -2.518 5.254 1.00 0.00 C ATOM 289 CG LYS A 42 -10.576 -2.806 5.355 1.00 0.00 C ATOM 290 CD LYS A 42 -10.875 -3.809 6.474 1.00 0.00 C ATOM 291 CE LYS A 42 -12.382 -3.898 6.748 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.157 -4.173 5.524 1.00 0.00 N ATOM 0 H LYS A 42 -6.802 -1.712 4.681 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.075 -2.473 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.512 -3.451 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.754 -1.910 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.115 -1.877 5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.938 -3.199 4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.494 -4.792 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.354 -3.510 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.570 -4.684 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.725 -2.963 7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.123 -4.458 5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.194 -3.316 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.701 -4.940 4.989 1.00 0.00 H new ATOM 293 N GLY A 43 -9.044 0.571 4.503 1.00 0.00 N ATOM 294 CA GLY A 43 -9.627 1.894 4.415 1.00 0.00 C ATOM 295 C GLY A 43 -9.655 2.393 2.970 1.00 0.00 C ATOM 296 O GLY A 43 -10.718 2.786 2.494 1.00 0.00 O ATOM 0 H GLY A 43 -8.252 0.506 5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.641 1.874 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.055 2.588 5.031 1.00 0.00 H new ATOM 297 N TYR A 44 -8.515 2.387 2.264 1.00 0.00 N ATOM 298 CA TYR A 44 -8.474 2.843 0.878 1.00 0.00 C ATOM 299 C TYR A 44 -9.374 1.949 0.017 1.00 0.00 C ATOM 300 O TYR A 44 -10.199 2.445 -0.741 1.00 0.00 O ATOM 301 CB TYR A 44 -7.025 2.840 0.362 1.00 0.00 C ATOM 302 CG TYR A 44 -6.075 3.830 1.014 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.442 5.176 1.201 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.760 3.435 1.324 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.609 6.021 1.947 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.873 4.331 1.939 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.313 5.611 2.291 1.00 0.00 C ATOM 308 OH TYR A 44 -3.480 6.459 2.952 1.00 0.00 O ATOM 0 H TYR A 44 -7.617 2.072 2.632 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.847 3.866 0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.617 1.838 0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.043 3.039 -0.710 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.358 5.555 0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.431 2.434 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.967 6.991 2.258 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.854 4.034 2.140 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.809 6.595 3.865 1.00 0.00 H new ATOM 309 N ALA A 45 -9.245 0.629 0.159 1.00 0.00 N ATOM 310 CA ALA A 45 -10.012 -0.382 -0.559 1.00 0.00 C ATOM 311 C ALA A 45 -11.506 -0.069 -0.459 1.00 0.00 C ATOM 312 O ALA A 45 -12.218 -0.105 -1.458 1.00 0.00 O ATOM 313 CB ALA A 45 -9.763 -1.773 0.028 1.00 0.00 C ATOM 0 H ALA A 45 -8.572 0.220 0.807 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.693 -0.370 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.346 -2.510 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.703 -2.016 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.062 -1.785 1.076 1.00 0.00 H new ATOM 314 N ASP A 46 -11.963 0.264 0.756 1.00 0.00 N ATOM 315 CA ASP A 46 -13.363 0.557 1.040 1.00 0.00 C ATOM 316 C ASP A 46 -13.690 2.047 0.875 1.00 0.00 C ATOM 317 O ASP A 46 -14.796 2.462 1.212 1.00 0.00 O ATOM 318 CB ASP A 46 -13.689 0.105 2.475 1.00 0.00 C ATOM 319 CG ASP A 46 -13.481 -1.390 2.723 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.558 -2.163 1.743 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.267 -1.743 3.904 1.00 0.00 O ATOM 0 H ASP A 46 -11.359 0.337 1.575 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.974 0.013 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.067 0.668 3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.726 0.358 2.697 1.00 0.00 H new ATOM 322 N GLY A 47 -12.754 2.865 0.381 1.00 0.00 N ATOM 323 CA GLY A 47 -12.942 4.300 0.203 1.00 0.00 C ATOM 324 C GLY A 47 -13.377 4.993 1.498 1.00 0.00 C ATOM 325 O GLY A 47 -14.107 5.979 1.455 1.00 0.00 O ATOM 0 H GLY A 47 -11.832 2.539 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.012 4.745 -0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.692 4.473 -0.569 1.00 0.00 H new ATOM 326 N SER A 48 -12.906 4.492 2.645 1.00 0.00 N ATOM 327 CA SER A 48 -13.224 4.995 3.976 1.00 0.00 C ATOM 328 C SER A 48 -12.006 5.644 4.643 1.00 0.00 C ATOM 329 O SER A 48 -11.988 5.799 5.863 1.00 0.00 O ATOM 330 CB SER A 48 -13.745 3.817 4.808 1.00 0.00 C ATOM 331 OG SER A 48 -14.238 4.269 6.053 1.00 0.00 O ATOM 0 H SER A 48 -12.269 3.695 2.667 1.00 0.00 H new ATOM 0 HA SER A 48 -13.983 5.773 3.903 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.535 3.301 4.263 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.944 3.095 4.968 1.00 0.00 H new ATOM 0 HG SER A 48 -13.642 4.961 6.409 1.00 0.00 H new ATOM 332 N TYR A 49 -10.986 6.001 3.862 1.00 0.00 N ATOM 333 CA TYR A 49 -9.756 6.632 4.309 1.00 0.00 C ATOM 334 C TYR A 49 -9.126 7.231 3.059 1.00 0.00 C ATOM 335 O TYR A 49 -9.211 6.612 2.001 1.00 0.00 O ATOM 336 CB TYR A 49 -8.834 5.573 4.937 1.00 0.00 C ATOM 337 CG TYR A 49 -7.399 5.976 5.251 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.089 7.217 5.843 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.362 5.059 4.999 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.746 7.566 6.091 1.00 0.00 C ATOM 341 CE2 TYR A 49 -5.029 5.393 5.288 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.711 6.663 5.787 1.00 0.00 C ATOM 343 OH TYR A 49 -3.407 7.014 5.986 1.00 0.00 O ATOM 0 H TYR A 49 -11.001 5.848 2.854 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.931 7.397 5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.297 5.233 5.864 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.801 4.716 4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.882 7.901 6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.593 4.091 4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.511 8.531 6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.246 4.668 5.125 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.823 6.386 5.512 1.00 0.00 H new ATOM 344 N GLY A 50 -8.546 8.428 3.157 1.00 0.00 N ATOM 345 CA GLY A 50 -7.889 9.078 2.039 1.00 0.00 C ATOM 346 C GLY A 50 -8.154 10.572 1.978 1.00 0.00 C ATOM 347 O GLY A 50 -8.725 11.178 2.881 1.00 0.00 O ATOM 0 H GLY A 50 -8.523 8.970 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.815 8.908 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.225 8.617 1.110 1.00 0.00 H new ATOM 348 N GLY A 51 -7.653 11.129 0.885 1.00 0.00 N ATOM 349 CA GLY A 51 -7.632 12.474 0.415 1.00 0.00 C ATOM 350 C GLY A 51 -7.039 12.419 -0.980 1.00 0.00 C ATOM 351 O GLY A 51 -6.731 11.334 -1.465 1.00 0.00 O ATOM 0 H GLY A 51 -7.178 10.530 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.637 12.897 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.033 13.107 1.069 1.00 0.00 H new ATOM 352 N GLU A 52 -6.836 13.582 -1.587 1.00 0.00 N ATOM 353 CA GLU A 52 -6.297 13.725 -2.940 1.00 0.00 C ATOM 354 C GLU A 52 -5.082 12.816 -3.161 1.00 0.00 C ATOM 355 O GLU A 52 -5.056 12.007 -4.086 1.00 0.00 O ATOM 356 CB GLU A 52 -5.922 15.193 -3.190 1.00 0.00 C ATOM 357 CG GLU A 52 -7.147 16.116 -3.149 1.00 0.00 C ATOM 358 CD GLU A 52 -6.752 17.559 -3.445 1.00 0.00 C ATOM 359 OE1 GLU A 52 -6.180 18.185 -2.526 1.00 0.00 O ATOM 360 OE2 GLU A 52 -7.017 18.002 -4.582 1.00 0.00 O ATOM 0 H GLU A 52 -7.046 14.476 -1.143 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.065 13.420 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.200 15.515 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.434 15.282 -4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.885 15.780 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.618 16.058 -2.168 1.00 0.00 H new ATOM 361 N ARG A 53 -4.089 12.924 -2.277 1.00 0.00 N ATOM 362 CA ARG A 53 -2.860 12.147 -2.328 1.00 0.00 C ATOM 363 C ARG A 53 -3.163 10.643 -2.330 1.00 0.00 C ATOM 364 O ARG A 53 -2.451 9.868 -2.962 1.00 0.00 O ATOM 365 CB ARG A 53 -1.993 12.550 -1.123 1.00 0.00 C ATOM 366 CG ARG A 53 -1.495 14.001 -1.254 1.00 0.00 C ATOM 367 CD ARG A 53 -0.960 14.601 0.056 1.00 0.00 C ATOM 368 NE ARG A 53 0.196 13.871 0.600 1.00 0.00 N ATOM 369 CZ ARG A 53 0.156 12.911 1.538 1.00 0.00 C ATOM 370 NH1 ARG A 53 -1.012 12.509 2.046 1.00 0.00 N ATOM 371 NH2 ARG A 53 1.290 12.356 1.980 1.00 0.00 N ATOM 0 H ARG A 53 -4.123 13.571 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.319 12.355 -3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.570 12.443 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.140 11.876 -1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.707 14.037 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.312 14.623 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.677 15.639 -0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.759 14.608 0.798 1.00 0.00 H new ATOM 0 HE ARG A 53 1.114 14.117 0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.882 12.932 1.722 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.034 11.779 2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.188 12.662 1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.257 11.627 2.693 1.00 0.00 H new ATOM 372 N LYS A 54 -4.232 10.228 -1.644 1.00 0.00 N ATOM 373 CA LYS A 54 -4.666 8.872 -1.488 1.00 0.00 C ATOM 374 C LYS A 54 -5.820 8.512 -2.451 1.00 0.00 C ATOM 375 O LYS A 54 -6.436 7.449 -2.325 1.00 0.00 O ATOM 376 CB LYS A 54 -5.023 8.769 -0.011 1.00 0.00 C ATOM 377 CG LYS A 54 -3.737 8.789 0.832 1.00 0.00 C ATOM 378 CD LYS A 54 -3.932 9.270 2.280 1.00 0.00 C ATOM 379 CE LYS A 54 -4.166 10.779 2.386 1.00 0.00 C ATOM 380 NZ LYS A 54 -3.931 11.245 3.763 1.00 0.00 N ATOM 0 H LYS A 54 -4.843 10.886 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.901 8.143 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.671 9.597 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.579 7.850 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.313 7.785 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.007 9.434 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.780 8.745 2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.053 9.003 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.501 11.304 1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.187 11.016 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.078 12.273 3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.594 10.770 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.955 11.021 4.043 1.00 0.00 H new ATOM 381 N ALA A 55 -6.124 9.372 -3.432 1.00 0.00 N ATOM 382 CA ALA A 55 -7.155 9.079 -4.422 1.00 0.00 C ATOM 383 C ALA A 55 -6.586 7.996 -5.337 1.00 0.00 C ATOM 384 O ALA A 55 -7.218 6.969 -5.590 1.00 0.00 O ATOM 385 CB ALA A 55 -7.522 10.344 -5.203 1.00 0.00 C ATOM 0 H ALA A 55 -5.667 10.275 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.074 8.731 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.292 10.108 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.897 11.101 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.638 10.725 -5.714 1.00 0.00 H new ATOM 386 N MET A 56 -5.351 8.231 -5.796 1.00 0.00 N ATOM 387 CA MET A 56 -4.608 7.300 -6.627 1.00 0.00 C ATOM 388 C MET A 56 -4.549 5.970 -5.877 1.00 0.00 C ATOM 389 O MET A 56 -4.838 4.924 -6.454 1.00 0.00 O ATOM 390 CB MET A 56 -3.194 7.832 -6.909 1.00 0.00 C ATOM 391 CG MET A 56 -3.175 9.018 -7.887 1.00 0.00 C ATOM 392 SD MET A 56 -3.780 10.616 -7.276 1.00 0.00 S ATOM 393 CE MET A 56 -2.383 11.122 -6.251 1.00 0.00 C ATOM 0 H MET A 56 -4.839 9.089 -5.592 1.00 0.00 H new ATOM 0 HA MET A 56 -5.099 7.172 -7.592 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.734 8.137 -5.969 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.584 7.025 -7.315 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.149 9.155 -8.230 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.769 8.745 -8.759 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.603 12.083 -5.785 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.210 10.374 -5.477 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.491 11.215 -6.871 1.00 0.00 H new ATOM 394 N MET A 57 -4.211 6.036 -4.584 1.00 0.00 N ATOM 395 CA MET A 57 -4.139 4.886 -3.698 1.00 0.00 C ATOM 396 C MET A 57 -5.434 4.098 -3.742 1.00 0.00 C ATOM 397 O MET A 57 -5.422 2.909 -4.039 1.00 0.00 O ATOM 398 CB MET A 57 -3.897 5.345 -2.255 1.00 0.00 C ATOM 399 CG MET A 57 -2.414 5.429 -1.926 1.00 0.00 C ATOM 400 SD MET A 57 -1.577 3.850 -2.143 1.00 0.00 S ATOM 401 CE MET A 57 -2.507 2.726 -1.075 1.00 0.00 C ATOM 0 H MET A 57 -3.976 6.914 -4.122 1.00 0.00 H new ATOM 0 HA MET A 57 -3.315 4.255 -4.032 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.358 6.321 -2.103 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.382 4.652 -1.568 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.944 6.178 -2.564 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.291 5.765 -0.896 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.258 1.695 -1.327 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.249 2.917 -0.033 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.575 2.887 -1.220 1.00 0.00 H new ATOM 402 N THR A 58 -6.549 4.758 -3.434 1.00 0.00 N ATOM 403 CA THR A 58 -7.855 4.121 -3.452 1.00 0.00 C ATOM 404 C THR A 58 -8.026 3.364 -4.769 1.00 0.00 C ATOM 405 O THR A 58 -8.267 2.157 -4.770 1.00 0.00 O ATOM 406 CB THR A 58 -8.920 5.213 -3.240 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.713 5.812 -1.974 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.349 4.673 -3.320 1.00 0.00 C ATOM 0 H THR A 58 -6.568 5.742 -3.167 1.00 0.00 H new ATOM 0 HA THR A 58 -7.962 3.388 -2.652 1.00 0.00 H new ATOM 0 HB THR A 58 -8.810 5.942 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.991 6.472 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.055 5.488 -3.163 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.517 4.232 -4.303 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.495 3.914 -2.552 1.00 0.00 H new ATOM 409 N ASN A 59 -7.828 4.062 -5.889 1.00 0.00 N ATOM 410 CA ASN A 59 -7.915 3.464 -7.216 1.00 0.00 C ATOM 411 C ASN A 59 -6.948 2.276 -7.355 1.00 0.00 C ATOM 412 O ASN A 59 -7.276 1.283 -8.000 1.00 0.00 O ATOM 413 CB ASN A 59 -7.649 4.560 -8.270 1.00 0.00 C ATOM 414 CG ASN A 59 -6.704 4.137 -9.394 1.00 0.00 C ATOM 415 OD1 ASN A 59 -7.138 3.787 -10.485 1.00 0.00 O ATOM 416 ND2 ASN A 59 -5.399 4.195 -9.144 1.00 0.00 N ATOM 0 H ASN A 59 -7.603 5.057 -5.898 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.915 3.060 -7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.600 4.866 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.232 5.434 -7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.729 3.944 -9.871 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.068 4.490 -8.225 1.00 0.00 H new ATOM 417 N ALA A 60 -5.765 2.365 -6.743 1.00 0.00 N ATOM 418 CA ALA A 60 -4.731 1.355 -6.835 1.00 0.00 C ATOM 419 C ALA A 60 -5.068 0.087 -6.051 1.00 0.00 C ATOM 420 O ALA A 60 -4.861 -1.010 -6.566 1.00 0.00 O ATOM 421 CB ALA A 60 -3.409 1.962 -6.342 1.00 0.00 C ATOM 0 H ALA A 60 -5.503 3.160 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.645 1.049 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.619 1.213 -6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.148 2.818 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.521 2.286 -5.307 1.00 0.00 H new ATOM 422 N VAL A 61 -5.584 0.201 -4.822 1.00 0.00 N ATOM 423 CA VAL A 61 -5.823 -0.993 -4.011 1.00 0.00 C ATOM 424 C VAL A 61 -7.233 -1.545 -4.215 1.00 0.00 C ATOM 425 O VAL A 61 -7.439 -2.735 -4.001 1.00 0.00 O ATOM 426 CB VAL A 61 -5.611 -0.697 -2.514 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.487 0.284 -2.212 1.00 0.00 C ATOM 428 CG2 VAL A 61 -6.844 -0.306 -1.720 1.00 0.00 C ATOM 0 H VAL A 61 -5.838 1.084 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.103 -1.742 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.316 -1.687 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.412 0.431 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.545 -0.114 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.698 1.238 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.566 -0.124 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.278 0.600 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.575 -1.113 -1.763 1.00 0.00 H new ATOM 429 N LYS A 62 -8.214 -0.713 -4.587 1.00 0.00 N ATOM 430 CA LYS A 62 -9.597 -1.161 -4.745 1.00 0.00 C ATOM 431 C LYS A 62 -9.718 -2.359 -5.695 1.00 0.00 C ATOM 432 O LYS A 62 -10.641 -3.157 -5.555 1.00 0.00 O ATOM 433 CB LYS A 62 -10.461 0.029 -5.185 1.00 0.00 C ATOM 434 CG LYS A 62 -11.957 -0.310 -5.236 1.00 0.00 C ATOM 435 CD LYS A 62 -12.815 0.958 -5.361 1.00 0.00 C ATOM 436 CE LYS A 62 -13.003 1.649 -4.002 1.00 0.00 C ATOM 437 NZ LYS A 62 -13.756 2.907 -4.132 1.00 0.00 N ATOM 0 H LYS A 62 -8.071 0.278 -4.784 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.963 -1.523 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.305 0.860 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.135 0.365 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.154 -0.969 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.239 -0.855 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.344 1.650 -6.059 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.789 0.700 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.529 0.979 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.028 1.852 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.864 3.346 -3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.242 3.556 -4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.696 2.709 -4.532 1.00 0.00 H new ATOM 438 N LYS A 63 -8.795 -2.509 -6.651 1.00 0.00 N ATOM 439 CA LYS A 63 -8.827 -3.633 -7.579 1.00 0.00 C ATOM 440 C LYS A 63 -8.306 -4.934 -6.937 1.00 0.00 C ATOM 441 O LYS A 63 -8.283 -5.962 -7.611 1.00 0.00 O ATOM 442 CB LYS A 63 -8.063 -3.254 -8.859 1.00 0.00 C ATOM 443 CG LYS A 63 -6.538 -3.209 -8.698 1.00 0.00 C ATOM 444 CD LYS A 63 -5.905 -2.572 -9.943 1.00 0.00 C ATOM 445 CE LYS A 63 -4.387 -2.783 -9.991 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.699 -2.138 -8.860 1.00 0.00 N ATOM 0 H LYS A 63 -8.019 -1.864 -6.798 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.863 -3.843 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.312 -3.970 -9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.409 -2.278 -9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.273 -2.636 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.148 -4.217 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.358 -2.998 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.123 -1.504 -9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.170 -3.851 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.996 -2.384 -10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.022 -1.436 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.398 -1.665 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.190 -2.857 -8.307 1.00 0.00 H new ATOM 447 N TYR A 64 -7.863 -4.911 -5.671 1.00 0.00 N ATOM 448 CA TYR A 64 -7.375 -6.039 -4.917 1.00 0.00 C ATOM 449 C TYR A 64 -8.415 -6.341 -3.838 1.00 0.00 C ATOM 450 O TYR A 64 -9.110 -5.460 -3.336 1.00 0.00 O ATOM 451 CB TYR A 64 -6.022 -5.705 -4.273 1.00 0.00 C ATOM 452 CG TYR A 64 -4.891 -5.285 -5.196 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.849 -5.680 -6.547 1.00 0.00 C ATOM 454 CD2 TYR A 64 -3.813 -4.558 -4.660 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.766 -5.302 -7.358 1.00 0.00 C ATOM 456 CE2 TYR A 64 -2.692 -4.259 -5.451 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.667 -4.625 -6.808 1.00 0.00 C ATOM 458 OH TYR A 64 -1.592 -4.328 -7.598 1.00 0.00 O ATOM 0 H TYR A 64 -7.841 -4.047 -5.129 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.227 -6.903 -5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.182 -4.904 -3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.691 -6.579 -3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.650 -6.274 -6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.848 -4.227 -3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.779 -5.534 -8.413 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.847 -3.747 -5.016 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.764 -4.521 -7.110 1.00 0.00 H new ATOM 459 N SER A 65 -8.496 -7.617 -3.497 1.00 0.00 N ATOM 460 CA SER A 65 -9.397 -8.203 -2.515 1.00 0.00 C ATOM 461 C SER A 65 -8.678 -8.386 -1.179 1.00 0.00 C ATOM 462 O SER A 65 -7.454 -8.314 -1.126 1.00 0.00 O ATOM 463 CB SER A 65 -9.889 -9.550 -3.054 1.00 0.00 C ATOM 464 OG SER A 65 -8.807 -10.447 -3.212 1.00 0.00 O ATOM 0 H SER A 65 -7.894 -8.319 -3.927 1.00 0.00 H new ATOM 0 HA SER A 65 -10.248 -7.543 -2.347 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.624 -9.975 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.390 -9.404 -4.011 1.00 0.00 H new ATOM 0 HG SER A 65 -8.291 -10.200 -4.008 1.00 0.00 H new ATOM 465 N ASP A 66 -9.427 -8.664 -0.108 1.00 0.00 N ATOM 466 CA ASP A 66 -8.894 -8.857 1.240 1.00 0.00 C ATOM 467 C ASP A 66 -7.649 -9.752 1.273 1.00 0.00 C ATOM 468 O ASP A 66 -6.653 -9.405 1.902 1.00 0.00 O ATOM 469 CB ASP A 66 -9.992 -9.461 2.123 1.00 0.00 C ATOM 470 CG ASP A 66 -9.460 -9.762 3.518 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.148 -8.780 4.224 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.355 -10.963 3.844 1.00 0.00 O ATOM 0 H ASP A 66 -10.441 -8.763 -0.157 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.584 -7.881 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.832 -8.770 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.369 -10.377 1.667 1.00 0.00 H new ATOM 473 N GLU A 67 -7.702 -10.904 0.602 1.00 0.00 N ATOM 474 CA GLU A 67 -6.594 -11.850 0.563 1.00 0.00 C ATOM 475 C GLU A 67 -5.356 -11.186 -0.052 1.00 0.00 C ATOM 476 O GLU A 67 -4.255 -11.258 0.497 1.00 0.00 O ATOM 477 CB GLU A 67 -7.053 -13.093 -0.220 1.00 0.00 C ATOM 478 CG GLU A 67 -6.068 -14.272 -0.153 1.00 0.00 C ATOM 479 CD GLU A 67 -4.818 -14.086 -1.010 1.00 0.00 C ATOM 480 OE1 GLU A 67 -4.952 -13.515 -2.114 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.743 -14.536 -0.556 1.00 0.00 O ATOM 0 H GLU A 67 -8.519 -11.205 0.070 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.308 -12.162 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.019 -13.417 0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.204 -12.817 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.766 -14.422 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.582 -15.180 -0.470 1.00 0.00 H new ATOM 482 N GLU A 68 -5.545 -10.543 -1.205 1.00 0.00 N ATOM 483 CA GLU A 68 -4.479 -9.863 -1.917 1.00 0.00 C ATOM 484 C GLU A 68 -3.899 -8.766 -1.025 1.00 0.00 C ATOM 485 O GLU A 68 -2.691 -8.710 -0.827 1.00 0.00 O ATOM 486 CB GLU A 68 -5.038 -9.299 -3.226 1.00 0.00 C ATOM 487 CG GLU A 68 -5.402 -10.423 -4.202 1.00 0.00 C ATOM 488 CD GLU A 68 -6.104 -9.853 -5.426 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.281 -9.466 -5.253 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.455 -9.792 -6.492 1.00 0.00 O ATOM 0 H GLU A 68 -6.451 -10.483 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.673 -10.554 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.921 -8.695 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.302 -8.639 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.501 -10.956 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.049 -11.148 -3.708 1.00 0.00 H new ATOM 491 N LEU A 69 -4.760 -7.912 -0.470 1.00 0.00 N ATOM 492 CA LEU A 69 -4.381 -6.823 0.418 1.00 0.00 C ATOM 493 C LEU A 69 -3.554 -7.349 1.591 1.00 0.00 C ATOM 494 O LEU A 69 -2.492 -6.812 1.903 1.00 0.00 O ATOM 495 CB LEU A 69 -5.654 -6.139 0.933 1.00 0.00 C ATOM 496 CG LEU A 69 -6.417 -5.325 -0.117 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.606 -4.645 0.566 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.532 -4.270 -0.774 1.00 0.00 C ATOM 0 H LEU A 69 -5.766 -7.964 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.771 -6.105 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.321 -6.901 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.386 -5.480 1.759 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.754 -6.002 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.161 -4.060 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.260 -5.403 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.244 -3.987 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.113 -3.716 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.160 -3.583 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.690 -4.757 -1.266 1.00 0.00 H new ATOM 499 N LYS A 70 -4.040 -8.401 2.249 1.00 0.00 N ATOM 500 CA LYS A 70 -3.357 -9.012 3.375 1.00 0.00 C ATOM 501 C LYS A 70 -1.959 -9.465 2.944 1.00 0.00 C ATOM 502 O LYS A 70 -0.983 -9.192 3.642 1.00 0.00 O ATOM 503 CB LYS A 70 -4.224 -10.164 3.895 1.00 0.00 C ATOM 504 CG LYS A 70 -3.745 -10.724 5.237 1.00 0.00 C ATOM 505 CD LYS A 70 -4.557 -11.953 5.679 1.00 0.00 C ATOM 506 CE LYS A 70 -6.073 -11.705 5.759 1.00 0.00 C ATOM 507 NZ LYS A 70 -6.746 -11.915 4.462 1.00 0.00 N ATOM 0 H LYS A 70 -4.924 -8.851 2.010 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.217 -8.301 4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.252 -9.817 4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.232 -10.966 3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.692 -10.995 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.820 -9.949 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.369 -12.770 4.982 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.200 -12.279 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.509 -12.371 6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.254 -10.685 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.400 -11.127 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.035 -11.958 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.278 -12.808 4.488 1.00 0.00 H new ATOM 508 N ALA A 71 -1.850 -10.126 1.786 1.00 0.00 N ATOM 509 CA ALA A 71 -0.562 -10.580 1.286 1.00 0.00 C ATOM 510 C ALA A 71 0.344 -9.381 1.010 1.00 0.00 C ATOM 511 O ALA A 71 1.522 -9.389 1.361 1.00 0.00 O ATOM 512 CB ALA A 71 -0.755 -11.399 0.009 1.00 0.00 C ATOM 0 H ALA A 71 -2.641 -10.355 1.184 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.092 -11.210 2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.215 -11.735 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.381 -12.265 0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.236 -10.782 -0.750 1.00 0.00 H new ATOM 513 N LEU A 72 -0.207 -8.347 0.374 1.00 0.00 N ATOM 514 CA LEU A 72 0.512 -7.140 0.028 1.00 0.00 C ATOM 515 C LEU A 72 1.111 -6.524 1.290 1.00 0.00 C ATOM 516 O LEU A 72 2.304 -6.229 1.321 1.00 0.00 O ATOM 517 CB LEU A 72 -0.520 -6.219 -0.623 1.00 0.00 C ATOM 518 CG LEU A 72 0.034 -5.174 -1.575 1.00 0.00 C ATOM 519 CD1 LEU A 72 0.887 -5.793 -2.637 1.00 0.00 C ATOM 520 CD2 LEU A 72 -1.169 -4.516 -2.235 1.00 0.00 C ATOM 0 H LEU A 72 -1.185 -8.333 0.083 1.00 0.00 H new ATOM 0 HA LEU A 72 1.343 -7.323 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.237 -6.835 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.072 -5.708 0.166 1.00 0.00 H new ATOM 0 HG LEU A 72 0.654 -4.464 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.266 -5.014 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.725 -6.314 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.293 -6.502 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.828 -3.752 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.746 -5.268 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.796 -4.056 -1.472 1.00 0.00 H new ATOM 521 N ALA A 73 0.293 -6.330 2.333 1.00 0.00 N ATOM 522 CA ALA A 73 0.772 -5.749 3.579 1.00 0.00 C ATOM 523 C ALA A 73 1.798 -6.675 4.216 1.00 0.00 C ATOM 524 O ALA A 73 2.817 -6.196 4.701 1.00 0.00 O ATOM 525 CB ALA A 73 -0.361 -5.561 4.594 1.00 0.00 C ATOM 0 H ALA A 73 -0.699 -6.568 2.332 1.00 0.00 H new ATOM 0 HA ALA A 73 1.204 -4.779 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.039 -5.125 5.509 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.117 -4.897 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.812 -6.528 4.819 1.00 0.00 H new ATOM 526 N ASP A 74 1.520 -7.985 4.268 1.00 0.00 N ATOM 527 CA ASP A 74 2.456 -8.951 4.832 1.00 0.00 C ATOM 528 C ASP A 74 3.821 -8.736 4.183 1.00 0.00 C ATOM 529 O ASP A 74 4.837 -8.662 4.874 1.00 0.00 O ATOM 530 CB ASP A 74 1.959 -10.383 4.607 1.00 0.00 C ATOM 531 CG ASP A 74 3.023 -11.396 5.012 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.135 -11.645 6.231 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.716 -11.890 4.096 1.00 0.00 O ATOM 0 H ASP A 74 0.651 -8.395 3.924 1.00 0.00 H new ATOM 0 HA ASP A 74 2.537 -8.803 5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.051 -10.552 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.699 -10.522 3.558 1.00 0.00 H new ATOM 534 N TYR A 75 3.835 -8.599 2.853 1.00 0.00 N ATOM 535 CA TYR A 75 5.066 -8.337 2.140 1.00 0.00 C ATOM 536 C TYR A 75 5.630 -6.986 2.580 1.00 0.00 C ATOM 537 O TYR A 75 6.713 -6.947 3.155 1.00 0.00 O ATOM 538 CB TYR A 75 4.838 -8.410 0.624 1.00 0.00 C ATOM 539 CG TYR A 75 6.081 -7.998 -0.135 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.271 -8.717 0.085 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.130 -6.752 -0.787 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.507 -8.165 -0.282 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.364 -6.239 -1.223 1.00 0.00 C ATOM 544 CZ TYR A 75 8.555 -6.916 -0.921 1.00 0.00 C ATOM 545 OH TYR A 75 9.753 -6.329 -1.180 1.00 0.00 O ATOM 0 H TYR A 75 3.007 -8.667 2.261 1.00 0.00 H new ATOM 0 HA TYR A 75 5.803 -9.103 2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.557 -9.425 0.344 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.007 -7.761 0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.232 -9.697 0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.222 -6.191 -0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.421 -8.701 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.395 -5.321 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 75 10.421 -6.652 -0.540 1.00 0.00 H new ATOM 546 N MET A 76 4.915 -5.883 2.346 1.00 0.00 N ATOM 547 CA MET A 76 5.367 -4.552 2.728 1.00 0.00 C ATOM 548 C MET A 76 5.871 -4.439 4.170 1.00 0.00 C ATOM 549 O MET A 76 6.712 -3.595 4.458 1.00 0.00 O ATOM 550 CB MET A 76 4.213 -3.571 2.563 1.00 0.00 C ATOM 551 CG MET A 76 3.898 -3.252 1.108 1.00 0.00 C ATOM 552 SD MET A 76 2.670 -1.941 0.960 1.00 0.00 S ATOM 553 CE MET A 76 1.143 -2.859 1.169 1.00 0.00 C ATOM 0 H MET A 76 4.005 -5.893 1.885 1.00 0.00 H new ATOM 0 HA MET A 76 6.211 -4.328 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.323 -3.984 3.038 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.454 -2.646 3.087 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.812 -2.953 0.595 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.533 -4.150 0.610 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.474 -2.647 0.335 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.361 -3.927 1.197 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.664 -2.562 2.102 1.00 0.00 H new ATOM 554 N SER A 77 5.341 -5.243 5.089 1.00 0.00 N ATOM 555 CA SER A 77 5.761 -5.192 6.481 1.00 0.00 C ATOM 556 C SER A 77 7.260 -5.489 6.599 1.00 0.00 C ATOM 557 O SER A 77 7.909 -4.943 7.488 1.00 0.00 O ATOM 558 CB SER A 77 4.900 -6.127 7.334 1.00 0.00 C ATOM 559 OG SER A 77 4.953 -5.742 8.701 1.00 0.00 O ATOM 0 H SER A 77 4.620 -5.937 4.891 1.00 0.00 H new ATOM 0 HA SER A 77 5.609 -4.184 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.868 -6.103 6.983 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.250 -7.154 7.225 1.00 0.00 H new ATOM 0 HG SER A 77 5.832 -5.357 8.899 1.00 0.00 H new ATOM 560 N LYS A 78 7.799 -6.369 5.746 1.00 0.00 N ATOM 561 CA LYS A 78 9.222 -6.678 5.711 1.00 0.00 C ATOM 562 C LYS A 78 9.884 -5.843 4.604 1.00 0.00 C ATOM 563 O LYS A 78 11.000 -5.360 4.776 1.00 0.00 O ATOM 564 CB LYS A 78 9.403 -8.194 5.561 1.00 0.00 C ATOM 565 CG LYS A 78 8.610 -8.877 4.439 1.00 0.00 C ATOM 566 CD LYS A 78 8.869 -10.389 4.455 1.00 0.00 C ATOM 567 CE LYS A 78 7.776 -11.155 3.699 1.00 0.00 C ATOM 568 NZ LYS A 78 6.476 -11.090 4.396 1.00 0.00 N ATOM 0 H LYS A 78 7.251 -6.887 5.059 1.00 0.00 H new ATOM 0 HA LYS A 78 9.723 -6.406 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.462 -8.396 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.129 -8.664 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.545 -8.681 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.899 -8.461 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.839 -10.598 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.914 -10.740 5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.671 -10.742 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.075 -12.197 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.815 -11.765 3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.607 -11.331 5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.089 -10.128 4.319 1.00 0.00 H new ATOM 569 N LEU A 79 9.141 -5.642 3.514 1.00 0.00 N ATOM 570 CA LEU A 79 9.470 -4.880 2.323 1.00 0.00 C ATOM 571 C LEU A 79 10.770 -5.393 1.685 1.00 0.00 C ATOM 572 O LEU A 79 11.751 -4.622 1.601 1.00 0.00 O ATOM 573 CB LEU A 79 9.487 -3.373 2.660 1.00 0.00 C ATOM 574 CG LEU A 79 9.037 -2.408 1.538 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.070 -2.997 0.135 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.626 -1.832 1.691 1.00 0.00 C ATOM 577 OXT LEU A 79 10.738 -6.553 1.213 1.00 0.00 O ATOM 0 H LEU A 79 8.209 -6.049 3.443 1.00 0.00 H new ATOM 0 HA LEU A 79 8.702 -5.023 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.846 -3.210 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.500 -3.102 2.957 1.00 0.00 H new ATOM 0 HG LEU A 79 9.787 -1.626 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.738 -2.247 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.087 -3.305 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.408 -3.862 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.411 -1.169 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.901 -2.645 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.561 -1.271 2.623 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.760 3.889 -2.067 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.654 5.033 1.136 1.00 5.52 C HETATM 581 CHB HEM A 80 0.166 0.713 -0.902 1.00 7.91 C HETATM 582 CHC HEM A 80 0.322 2.788 -5.272 1.00 6.02 C HETATM 583 CHD HEM A 80 1.038 7.122 -3.205 1.00 10.53 C HETATM 584 NA HEM A 80 0.598 3.033 -0.267 1.00 6.22 N HETATM 585 C1A HEM A 80 0.634 3.670 0.948 1.00 6.23 C HETATM 586 C2A HEM A 80 0.621 2.722 2.020 1.00 8.27 C HETATM 587 C3A HEM A 80 0.357 1.520 1.470 1.00 7.07 C HETATM 588 C4A HEM A 80 0.375 1.706 0.039 1.00 9.92 C HETATM 589 CMA HEM A 80 0.135 0.230 2.185 1.00 7.00 C HETATM 590 CAA HEM A 80 0.877 3.059 3.458 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.338 3.496 4.281 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.377 5.001 4.537 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.466 5.572 4.500 1.00 18.65 O HETATM 594 O2A HEM A 80 0.682 5.577 4.778 1.00 17.21 O HETATM 595 NB HEM A 80 0.251 2.153 -2.904 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.010 0.964 -2.255 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.496 -0.006 -3.181 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.237 0.476 -4.423 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.120 1.869 -4.249 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.029 -1.341 -2.769 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.212 -0.289 -5.726 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.494 -0.997 -6.172 1.00 6.48 C HETATM 603 NC HEM A 80 0.837 4.751 -3.867 1.00 3.58 N HETATM 604 C1C HEM A 80 0.646 4.129 -5.088 1.00 4.45 C HETATM 605 C2C HEM A 80 0.887 5.057 -6.162 1.00 5.77 C HETATM 606 C3C HEM A 80 1.267 6.232 -5.591 1.00 8.44 C HETATM 607 C4C HEM A 80 1.056 6.088 -4.154 1.00 11.13 C HETATM 608 CMC HEM A 80 0.804 4.692 -7.624 1.00 8.62 C HETATM 609 CAC HEM A 80 1.815 7.454 -6.291 1.00 3.39 C HETATM 610 CBC HEM A 80 0.722 8.311 -6.939 1.00 10.94 C HETATM 611 ND HEM A 80 0.739 5.721 -1.211 1.00 4.28 N HETATM 612 C1D HEM A 80 0.841 6.953 -1.827 1.00 5.02 C HETATM 613 C2D HEM A 80 0.755 8.010 -0.817 1.00 3.97 C HETATM 614 C3D HEM A 80 0.725 7.397 0.405 1.00 5.11 C HETATM 615 C4D HEM A 80 0.692 5.988 0.142 1.00 9.05 C HETATM 616 CMD HEM A 80 0.687 9.490 -1.109 1.00 5.28 C HETATM 617 CAD HEM A 80 0.836 8.000 1.799 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.435 8.674 2.314 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.166 9.753 3.358 1.00 6.46 C HETATM 620 O1D HEM A 80 -1.129 10.338 3.847 1.00 8.25 O HETATM 621 O2D HEM A 80 0.995 10.039 3.645 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.508 -0.413 1.584 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.342 0.424 3.146 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.092 -0.265 2.349 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.785 -1.667 -3.484 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.476 -1.264 -1.778 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.215 -2.066 -2.745 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.498 5.565 -8.200 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.074 3.894 -7.759 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.780 4.352 -7.970 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 0.122 9.990 -0.323 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 0.193 9.649 -2.068 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 1.696 9.900 -1.148 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.510 -1.558 -7.107 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.391 -0.941 -5.555 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.990 9.221 -7.475 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.323 8.010 -6.863 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.331 2.971 5.236 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.248 3.198 3.761 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.620 3.856 3.495 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.320 2.187 3.940 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -1.090 7.917 2.745 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -0.969 9.117 1.473 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.643 8.733 1.798 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.120 7.213 2.497 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.639 5.387 2.156 1.00 5.52 H new HETATM 0 HHB HEM A 80 0.138 -0.313 -0.565 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.220 2.434 -6.287 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.188 8.129 -3.565 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.693 -0.335 -6.331 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.876 7.700 -6.331 1.00 3.39 H new