USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 63 LYS NZ :NH3+ -129:sc= 1.5 (180deg=-0.0386) USER MOD Set 1.2: A 64 TYR OH : rot -55:sc= 1.63 USER MOD Set 2.1: A 40 LYS NZ :NH3+ -158:sc= 0.606 (180deg=-0.0847) USER MOD Set 2.2: A 44 TYR OH : rot 71:sc= 1.59 USER MOD Set 2.3: A 49 TYR OH : rot -164:sc= 2.29 USER MOD Set 2.4: A 54 LYS NZ :NH3+ 151:sc= 0.703 (180deg=-0.794) USER MOD Set 3.1: A 41 MET CE :methyl -157:sc= -0.299 (180deg=-0.55) USER MOD Set 3.2: A 76 MET CE :methyl -149:sc= -0.529 (180deg=-2.01) USER MOD Set 3.3: A 80 HEM CMA :methyl -30:sc= -3.23! (180deg=-7.05!) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 179:sc= 0.393 (180deg=-0.0637) USER MOD Set 4.2: A 9 SER OG : rot 180:sc= 0.584 USER MOD Single : A 1 ALA N :NH3+ -150:sc= 1.23 (180deg=0.368) USER MOD Single : A 7 TYR OH : rot 60:sc= -0.668 USER MOD Single : A 19 SER OG : rot -102:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0519) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 82:sc= 0.495 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 1.17 (180deg=1.15) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0.897 (180deg=0.764) USER MOD Single : A 32 GLN : amide:sc= -0.389 K(o=-0.39,f=-3.9!) USER MOD Single : A 38 TYR OH : rot 2:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ -142:sc= 0.264 (180deg=-1.41) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 0.827 (180deg=0.728) USER MOD Single : A 48 SER OG : rot -44:sc= 0.701 USER MOD Single : A 56 MET CE :methyl -175:sc= 0 (180deg=-0.0278) USER MOD Single : A 57 MET CE :methyl 169:sc= -4.34! (180deg=-5.42!) USER MOD Single : A 58 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 59 ASN : amide:sc= 0.243 X(o=0.24,f=-0.0075) USER MOD Single : A 62 LYS NZ :NH3+ -136:sc= 0.00783 (180deg=-0.871) USER MOD Single : A 65 SER OG : rot 25:sc= 0.667 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= -0.0911 (180deg=-0.149) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -37:sc= 0.669 USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= 0.00243 (180deg=0) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -2.08 (180deg=-2.08) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.807 (180deg=-0.807) USER MOD Single : A 80 HEM CMD :methyl 150:sc= -0.675 (180deg=-0.675) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.391 -16.771 -5.233 1.00 0.00 N ATOM 2 CA ALA A 1 3.201 -15.705 -5.859 1.00 0.00 C ATOM 3 C ALA A 1 2.422 -14.414 -5.670 1.00 0.00 C ATOM 4 O ALA A 1 1.626 -14.027 -6.518 1.00 0.00 O ATOM 5 CB ALA A 1 3.476 -16.007 -7.336 1.00 0.00 C ATOM 0 H1 ALA A 1 3.019 -17.518 -4.874 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.842 -16.372 -4.445 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.742 -17.174 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 1 4.184 -15.628 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.074 -15.204 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.019 -16.948 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.531 -16.084 -7.874 1.00 0.00 H new ATOM 6 N ASP A 2 2.622 -13.807 -4.503 1.00 0.00 N ATOM 7 CA ASP A 2 1.883 -12.665 -4.010 1.00 0.00 C ATOM 8 C ASP A 2 2.613 -12.203 -2.754 1.00 0.00 C ATOM 9 O ASP A 2 3.285 -13.027 -2.138 1.00 0.00 O ATOM 10 CB ASP A 2 0.459 -13.146 -3.720 1.00 0.00 C ATOM 11 CG ASP A 2 0.428 -14.399 -2.835 1.00 0.00 C ATOM 12 OD1 ASP A 2 0.779 -15.488 -3.359 1.00 0.00 O ATOM 13 OD2 ASP A 2 0.067 -14.240 -1.651 1.00 0.00 O ATOM 0 H ASP A 2 3.340 -14.119 -3.849 1.00 0.00 H new ATOM 0 HA ASP A 2 1.821 -11.832 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.098 -12.347 -3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.048 -13.358 -4.661 1.00 0.00 H new ATOM 14 N GLY A 3 2.518 -10.918 -2.391 1.00 0.00 N ATOM 15 CA GLY A 3 3.265 -10.380 -1.281 1.00 0.00 C ATOM 16 C GLY A 3 4.636 -10.206 -1.906 1.00 0.00 C ATOM 17 O GLY A 3 5.494 -11.079 -1.853 1.00 0.00 O ATOM 0 H GLY A 3 1.922 -10.238 -2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.852 -9.436 -0.926 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.284 -11.060 -0.429 1.00 0.00 H new ATOM 18 N ALA A 4 4.731 -9.067 -2.588 1.00 0.00 N ATOM 19 CA ALA A 4 5.801 -8.585 -3.439 1.00 0.00 C ATOM 20 C ALA A 4 5.295 -8.699 -4.875 1.00 0.00 C ATOM 21 O ALA A 4 5.571 -7.806 -5.672 1.00 0.00 O ATOM 22 CB ALA A 4 7.123 -9.352 -3.292 1.00 0.00 C ATOM 0 H ALA A 4 3.971 -8.388 -2.549 1.00 0.00 H new ATOM 0 HA ALA A 4 6.036 -7.561 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.868 -8.926 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.476 -9.275 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.965 -10.401 -3.544 1.00 0.00 H new ATOM 23 N ALA A 5 4.494 -9.732 -5.210 1.00 0.00 N ATOM 24 CA ALA A 5 4.050 -9.855 -6.592 1.00 0.00 C ATOM 25 C ALA A 5 2.784 -9.049 -6.837 1.00 0.00 C ATOM 26 O ALA A 5 2.385 -8.913 -7.989 1.00 0.00 O ATOM 27 CB ALA A 5 3.876 -11.325 -6.981 1.00 0.00 C ATOM 0 H ALA A 5 4.161 -10.454 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 5 4.824 -9.437 -7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.544 -11.390 -8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.827 -11.845 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.132 -11.788 -6.332 1.00 0.00 H new ATOM 28 N LEU A 6 2.132 -8.519 -5.793 1.00 0.00 N ATOM 29 CA LEU A 6 0.966 -7.698 -5.999 1.00 0.00 C ATOM 30 C LEU A 6 1.425 -6.242 -6.076 1.00 0.00 C ATOM 31 O LEU A 6 0.886 -5.463 -6.857 1.00 0.00 O ATOM 32 CB LEU A 6 0.027 -7.971 -4.831 1.00 0.00 C ATOM 33 CG LEU A 6 -0.727 -9.299 -5.006 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.216 -9.765 -3.636 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.925 -9.178 -5.953 1.00 0.00 C ATOM 0 H LEU A 6 2.399 -8.650 -4.817 1.00 0.00 H new ATOM 0 HA LEU A 6 0.435 -7.917 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.598 -7.996 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.690 -7.155 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.038 -10.018 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.754 -10.707 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.362 -9.908 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.882 -9.013 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.420 -10.145 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.628 -8.445 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.581 -8.858 -6.936 1.00 0.00 H new ATOM 36 N TYR A 7 2.445 -5.891 -5.284 1.00 0.00 N ATOM 37 CA TYR A 7 2.982 -4.541 -5.181 1.00 0.00 C ATOM 38 C TYR A 7 3.824 -4.038 -6.365 1.00 0.00 C ATOM 39 O TYR A 7 4.141 -2.847 -6.400 1.00 0.00 O ATOM 40 CB TYR A 7 3.801 -4.469 -3.879 1.00 0.00 C ATOM 41 CG TYR A 7 3.669 -3.155 -3.136 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.389 -2.663 -2.833 1.00 0.00 C ATOM 43 CD2 TYR A 7 4.796 -2.485 -2.626 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.240 -1.452 -2.160 1.00 0.00 C ATOM 45 CE2 TYR A 7 4.638 -1.254 -1.964 1.00 0.00 C ATOM 46 CZ TYR A 7 3.365 -0.665 -1.886 1.00 0.00 C ATOM 47 OH TYR A 7 3.224 0.615 -1.443 1.00 0.00 O ATOM 0 H TYR A 7 2.928 -6.560 -4.684 1.00 0.00 H new ATOM 0 HA TYR A 7 2.122 -3.872 -5.187 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.488 -5.279 -3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.852 -4.637 -4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.515 -3.227 -3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.780 -2.915 -2.742 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.259 -1.121 -1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.491 -0.764 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 7 2.729 0.616 -0.597 1.00 0.00 H new ATOM 48 N LYS A 8 4.174 -4.886 -7.340 1.00 0.00 N ATOM 49 CA LYS A 8 5.011 -4.490 -8.482 1.00 0.00 C ATOM 50 C LYS A 8 4.589 -3.152 -9.112 1.00 0.00 C ATOM 51 O LYS A 8 5.435 -2.333 -9.460 1.00 0.00 O ATOM 52 CB LYS A 8 5.090 -5.596 -9.557 1.00 0.00 C ATOM 53 CG LYS A 8 4.006 -6.685 -9.573 1.00 0.00 C ATOM 54 CD LYS A 8 2.556 -6.210 -9.748 1.00 0.00 C ATOM 55 CE LYS A 8 2.299 -5.531 -11.096 1.00 0.00 C ATOM 56 NZ LYS A 8 0.911 -5.041 -11.167 1.00 0.00 N ATOM 0 H LYS A 8 3.886 -5.864 -7.361 1.00 0.00 H new ATOM 0 HA LYS A 8 6.009 -4.345 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.085 -5.110 -10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.055 -6.091 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.236 -7.382 -10.379 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.071 -7.244 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.887 -7.064 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.310 -5.514 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.992 -4.700 -11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.485 -6.235 -11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.756 -4.568 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.255 -5.843 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.741 -4.366 -10.394 1.00 0.00 H new ATOM 57 N SER A 9 3.290 -2.909 -9.259 1.00 0.00 N ATOM 58 CA SER A 9 2.757 -1.681 -9.827 1.00 0.00 C ATOM 59 C SER A 9 3.015 -0.468 -8.932 1.00 0.00 C ATOM 60 O SER A 9 3.385 0.613 -9.384 1.00 0.00 O ATOM 61 CB SER A 9 1.245 -1.884 -9.986 1.00 0.00 C ATOM 62 OG SER A 9 0.756 -2.851 -9.063 1.00 0.00 O ATOM 0 H SER A 9 2.568 -3.574 -8.981 1.00 0.00 H new ATOM 0 HA SER A 9 3.249 -1.481 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.730 -0.936 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.023 -2.204 -11.004 1.00 0.00 H new ATOM 0 HG SER A 9 -0.210 -2.960 -9.185 1.00 0.00 H new ATOM 63 N CYS A 10 2.797 -0.677 -7.640 1.00 0.00 N ATOM 64 CA CYS A 10 2.879 0.297 -6.571 1.00 0.00 C ATOM 65 C CYS A 10 4.308 0.792 -6.467 1.00 0.00 C ATOM 66 O CYS A 10 4.572 1.977 -6.235 1.00 0.00 O ATOM 67 CB CYS A 10 2.400 -0.400 -5.296 1.00 0.00 C ATOM 68 SG CYS A 10 0.906 -1.434 -5.509 1.00 0.00 S ATOM 0 H CYS A 10 2.540 -1.601 -7.292 1.00 0.00 H new ATOM 0 HA CYS A 10 2.254 1.172 -6.750 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.207 -1.025 -4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.197 0.357 -4.538 1.00 0.00 H new ATOM 69 N ILE A 11 5.227 -0.145 -6.708 1.00 0.00 N ATOM 70 CA ILE A 11 6.648 0.104 -6.726 1.00 0.00 C ATOM 71 C ILE A 11 6.969 1.294 -7.646 1.00 0.00 C ATOM 72 O ILE A 11 7.964 1.977 -7.419 1.00 0.00 O ATOM 73 CB ILE A 11 7.378 -1.208 -7.098 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.294 -1.640 -5.947 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.209 -1.102 -8.384 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.495 -2.131 -4.735 1.00 0.00 C ATOM 0 H ILE A 11 4.986 -1.117 -6.899 1.00 0.00 H new ATOM 0 HA ILE A 11 7.011 0.398 -5.741 1.00 0.00 H new ATOM 0 HB ILE A 11 6.600 -1.950 -7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.958 -2.433 -6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.925 -0.802 -5.651 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.693 -2.058 -8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.557 -0.844 -9.218 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.968 -0.329 -8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.182 -2.427 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.850 -1.329 -4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.884 -2.986 -5.024 1.00 0.00 H new ATOM 77 N GLY A 12 6.134 1.567 -8.659 1.00 0.00 N ATOM 78 CA GLY A 12 6.322 2.693 -9.559 1.00 0.00 C ATOM 79 C GLY A 12 6.432 4.018 -8.798 1.00 0.00 C ATOM 80 O GLY A 12 7.284 4.839 -9.127 1.00 0.00 O ATOM 0 H GLY A 12 5.309 1.006 -8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.224 2.538 -10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.487 2.743 -10.257 1.00 0.00 H new ATOM 81 N CYS A 13 5.576 4.237 -7.789 1.00 0.00 N ATOM 82 CA CYS A 13 5.605 5.465 -6.990 1.00 0.00 C ATOM 83 C CYS A 13 6.456 5.254 -5.740 1.00 0.00 C ATOM 84 O CYS A 13 7.222 6.134 -5.357 1.00 0.00 O ATOM 85 CB CYS A 13 4.200 5.898 -6.541 1.00 0.00 C ATOM 86 SG CYS A 13 3.199 6.869 -7.706 1.00 0.00 S ATOM 0 H CYS A 13 4.853 3.575 -7.508 1.00 0.00 H new ATOM 0 HA CYS A 13 6.027 6.244 -7.624 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.639 4.999 -6.285 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.306 6.479 -5.625 1.00 0.00 H new ATOM 87 N HIS A 14 6.308 4.096 -5.089 1.00 0.00 N ATOM 88 CA HIS A 14 7.003 3.806 -3.839 1.00 0.00 C ATOM 89 C HIS A 14 8.511 3.568 -4.006 1.00 0.00 C ATOM 90 O HIS A 14 9.258 3.718 -3.040 1.00 0.00 O ATOM 91 CB HIS A 14 6.254 2.668 -3.142 1.00 0.00 C ATOM 92 CG HIS A 14 4.911 3.137 -2.655 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.803 3.926 -1.523 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.631 3.023 -3.145 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.507 4.227 -1.370 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.735 3.685 -2.313 1.00 0.00 N ATOM 0 H HIS A 14 5.706 3.340 -5.414 1.00 0.00 H new ATOM 0 HA HIS A 14 6.983 4.687 -3.197 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.125 1.834 -3.832 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.843 2.299 -2.302 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.568 4.223 -0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.360 2.495 -4.047 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.127 4.843 -0.568 1.00 0.00 H new ATOM 97 N GLY A 15 8.984 3.195 -5.196 1.00 0.00 N ATOM 98 CA GLY A 15 10.406 3.032 -5.460 1.00 0.00 C ATOM 99 C GLY A 15 11.034 1.732 -4.967 1.00 0.00 C ATOM 100 O GLY A 15 11.377 1.623 -3.793 1.00 0.00 O ATOM 0 H GLY A 15 8.389 2.999 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.566 3.104 -6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.938 3.866 -5.002 1.00 0.00 H new ATOM 101 N ALA A 16 11.221 0.780 -5.891 1.00 0.00 N ATOM 102 CA ALA A 16 11.860 -0.531 -5.742 1.00 0.00 C ATOM 103 C ALA A 16 11.552 -1.268 -4.431 1.00 0.00 C ATOM 104 O ALA A 16 10.781 -2.221 -4.429 1.00 0.00 O ATOM 105 CB ALA A 16 13.373 -0.355 -5.925 1.00 0.00 C ATOM 0 H ALA A 16 10.899 0.923 -6.848 1.00 0.00 H new ATOM 0 HA ALA A 16 11.435 -1.174 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.867 -1.321 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.575 0.048 -6.918 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.753 0.333 -5.170 1.00 0.00 H new ATOM 106 N ASP A 17 12.184 -0.866 -3.328 1.00 0.00 N ATOM 107 CA ASP A 17 12.037 -1.409 -2.001 1.00 0.00 C ATOM 108 C ASP A 17 11.031 -0.585 -1.189 1.00 0.00 C ATOM 109 O ASP A 17 11.080 -0.581 0.034 1.00 0.00 O ATOM 110 CB ASP A 17 13.407 -1.473 -1.309 1.00 0.00 C ATOM 111 CG ASP A 17 14.003 -0.093 -1.045 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.919 0.750 -1.966 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.536 0.102 0.068 1.00 0.00 O ATOM 0 H ASP A 17 12.856 -0.099 -3.353 1.00 0.00 H new ATOM 0 HA ASP A 17 11.644 -2.424 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.307 -2.007 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.095 -2.048 -1.929 1.00 0.00 H new ATOM 114 N GLY A 18 10.129 0.129 -1.865 1.00 0.00 N ATOM 115 CA GLY A 18 9.096 0.961 -1.275 1.00 0.00 C ATOM 116 C GLY A 18 9.648 1.967 -0.263 1.00 0.00 C ATOM 117 O GLY A 18 9.030 2.217 0.776 1.00 0.00 O ATOM 0 H GLY A 18 10.103 0.139 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.574 1.499 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.361 0.324 -0.783 1.00 0.00 H new ATOM 118 N SER A 19 10.800 2.554 -0.596 1.00 0.00 N ATOM 119 CA SER A 19 11.517 3.505 0.236 1.00 0.00 C ATOM 120 C SER A 19 11.224 4.963 -0.115 1.00 0.00 C ATOM 121 O SER A 19 11.361 5.833 0.742 1.00 0.00 O ATOM 122 CB SER A 19 13.011 3.249 0.039 1.00 0.00 C ATOM 123 OG SER A 19 13.318 3.293 -1.344 1.00 0.00 O ATOM 0 H SER A 19 11.269 2.370 -1.483 1.00 0.00 H new ATOM 0 HA SER A 19 11.194 3.359 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.593 3.998 0.576 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.282 2.278 0.452 1.00 0.00 H new ATOM 0 HG SER A 19 13.412 2.380 -1.687 1.00 0.00 H new ATOM 124 N LYS A 20 10.859 5.254 -1.365 1.00 0.00 N ATOM 125 CA LYS A 20 10.635 6.619 -1.789 1.00 0.00 C ATOM 126 C LYS A 20 9.310 7.141 -1.251 1.00 0.00 C ATOM 127 O LYS A 20 8.292 6.446 -1.244 1.00 0.00 O ATOM 128 CB LYS A 20 10.705 6.716 -3.318 1.00 0.00 C ATOM 129 CG LYS A 20 12.070 6.223 -3.819 1.00 0.00 C ATOM 130 CD LYS A 20 12.202 6.436 -5.332 1.00 0.00 C ATOM 131 CE LYS A 20 13.416 5.686 -5.896 1.00 0.00 C ATOM 132 NZ LYS A 20 14.672 6.095 -5.243 1.00 0.00 N ATOM 0 H LYS A 20 10.715 4.556 -2.094 1.00 0.00 H new ATOM 0 HA LYS A 20 11.422 7.250 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.909 6.120 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.545 7.748 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.867 6.756 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.189 5.165 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.296 6.092 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.298 7.501 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.272 4.614 -5.765 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.489 5.869 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.479 5.695 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.741 7.133 -5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.684 5.746 -4.263 1.00 0.00 H new ATOM 133 N ALA A 21 9.344 8.391 -0.791 1.00 0.00 N ATOM 134 CA ALA A 21 8.182 9.085 -0.274 1.00 0.00 C ATOM 135 C ALA A 21 7.291 9.412 -1.467 1.00 0.00 C ATOM 136 O ALA A 21 7.343 10.507 -2.017 1.00 0.00 O ATOM 137 CB ALA A 21 8.623 10.339 0.489 1.00 0.00 C ATOM 0 H ALA A 21 10.196 8.952 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 21 7.624 8.473 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.745 10.857 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.269 10.052 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.168 11.001 -0.184 1.00 0.00 H new ATOM 138 N ALA A 22 6.500 8.420 -1.877 1.00 0.00 N ATOM 139 CA ALA A 22 5.613 8.462 -3.022 1.00 0.00 C ATOM 140 C ALA A 22 4.941 9.815 -3.262 1.00 0.00 C ATOM 141 O ALA A 22 4.273 10.334 -2.371 1.00 0.00 O ATOM 142 CB ALA A 22 4.571 7.349 -2.898 1.00 0.00 C ATOM 0 H ALA A 22 6.465 7.524 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 22 6.238 8.305 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.903 7.379 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.074 6.382 -2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.993 7.492 -1.985 1.00 0.00 H new ATOM 143 N MET A 23 5.130 10.324 -4.490 1.00 0.00 N ATOM 144 CA MET A 23 4.640 11.545 -5.130 1.00 0.00 C ATOM 145 C MET A 23 4.220 12.667 -4.180 1.00 0.00 C ATOM 146 O MET A 23 4.916 13.672 -4.070 1.00 0.00 O ATOM 147 CB MET A 23 3.488 11.164 -6.068 1.00 0.00 C ATOM 148 CG MET A 23 3.958 10.216 -7.176 1.00 0.00 C ATOM 149 SD MET A 23 5.134 10.909 -8.366 1.00 0.00 S ATOM 150 CE MET A 23 5.388 9.463 -9.417 1.00 0.00 C ATOM 0 H MET A 23 5.716 9.808 -5.147 1.00 0.00 H new ATOM 0 HA MET A 23 5.482 11.971 -5.675 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.692 10.689 -5.494 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.066 12.065 -6.513 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.415 9.343 -6.710 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.083 9.865 -7.722 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.091 9.710 -10.212 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.789 8.645 -8.819 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.437 9.160 -9.855 1.00 0.00 H new ATOM 151 N GLY A 24 3.056 12.528 -3.538 1.00 0.00 N ATOM 152 CA GLY A 24 2.542 13.511 -2.595 1.00 0.00 C ATOM 153 C GLY A 24 3.571 13.848 -1.515 1.00 0.00 C ATOM 154 O GLY A 24 3.566 14.955 -0.978 1.00 0.00 O ATOM 0 H GLY A 24 2.444 11.722 -3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.265 14.419 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.635 13.128 -2.127 1.00 0.00 H new ATOM 155 N SER A 25 4.420 12.868 -1.202 1.00 0.00 N ATOM 156 CA SER A 25 5.512 12.801 -0.240 1.00 0.00 C ATOM 157 C SER A 25 5.060 11.826 0.842 1.00 0.00 C ATOM 158 O SER A 25 4.869 12.232 1.989 1.00 0.00 O ATOM 159 CB SER A 25 5.925 14.163 0.345 1.00 0.00 C ATOM 160 OG SER A 25 6.255 15.074 -0.684 1.00 0.00 O ATOM 0 H SER A 25 4.341 11.977 -1.692 1.00 0.00 H new ATOM 0 HA SER A 25 6.419 12.461 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.111 14.567 0.947 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.779 14.034 1.010 1.00 0.00 H new ATOM 0 HG SER A 25 5.435 15.473 -1.043 1.00 0.00 H new ATOM 161 N ALA A 26 4.833 10.556 0.478 1.00 0.00 N ATOM 162 CA ALA A 26 4.375 9.578 1.437 1.00 0.00 C ATOM 163 C ALA A 26 5.376 9.230 2.525 1.00 0.00 C ATOM 164 O ALA A 26 6.582 9.277 2.318 1.00 0.00 O ATOM 165 CB ALA A 26 4.105 8.281 0.672 1.00 0.00 C ATOM 0 H ALA A 26 4.962 10.198 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 26 3.503 10.014 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.756 7.516 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.343 8.458 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.024 7.944 0.192 1.00 0.00 H new ATOM 166 N LYS A 27 4.865 8.844 3.691 1.00 0.00 N ATOM 167 CA LYS A 27 5.697 8.296 4.741 1.00 0.00 C ATOM 168 C LYS A 27 6.139 6.948 4.142 1.00 0.00 C ATOM 169 O LYS A 27 5.257 6.139 3.849 1.00 0.00 O ATOM 170 CB LYS A 27 4.881 8.145 6.038 1.00 0.00 C ATOM 171 CG LYS A 27 3.409 7.743 5.832 1.00 0.00 C ATOM 172 CD LYS A 27 2.765 7.183 7.106 1.00 0.00 C ATOM 173 CE LYS A 27 1.372 6.606 6.806 1.00 0.00 C ATOM 174 NZ LYS A 27 0.457 7.598 6.213 1.00 0.00 N ATOM 0 H LYS A 27 3.874 8.904 3.926 1.00 0.00 H new ATOM 0 HA LYS A 27 6.548 8.915 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.362 7.397 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.912 9.089 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.843 8.612 5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.348 6.996 5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.402 6.406 7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.683 7.971 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.473 5.760 6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.936 6.223 7.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.431 7.131 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.255 8.344 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.900 8.020 5.372 1.00 0.00 H new ATOM 175 N PRO A 28 7.436 6.701 3.873 1.00 0.00 N ATOM 176 CA PRO A 28 7.910 5.467 3.251 1.00 0.00 C ATOM 177 C PRO A 28 7.155 4.234 3.744 1.00 0.00 C ATOM 178 O PRO A 28 7.128 3.988 4.949 1.00 0.00 O ATOM 179 CB PRO A 28 9.401 5.397 3.585 1.00 0.00 C ATOM 180 CG PRO A 28 9.793 6.874 3.599 1.00 0.00 C ATOM 181 CD PRO A 28 8.568 7.548 4.220 1.00 0.00 C ATOM 0 HA PRO A 28 7.736 5.476 2.175 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.582 4.918 4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.960 4.833 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.692 7.048 4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.994 7.248 2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.675 7.636 5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.436 8.557 3.830 1.00 0.00 H new ATOM 182 N VAL A 29 6.513 3.473 2.843 1.00 0.00 N ATOM 183 CA VAL A 29 5.776 2.300 3.299 1.00 0.00 C ATOM 184 C VAL A 29 6.782 1.290 3.872 1.00 0.00 C ATOM 185 O VAL A 29 6.413 0.481 4.718 1.00 0.00 O ATOM 186 CB VAL A 29 4.813 1.724 2.246 1.00 0.00 C ATOM 187 CG1 VAL A 29 3.852 2.805 1.742 1.00 0.00 C ATOM 188 CG2 VAL A 29 5.455 1.028 1.054 1.00 0.00 C ATOM 0 H VAL A 29 6.491 3.643 1.838 1.00 0.00 H new ATOM 0 HA VAL A 29 5.093 2.591 4.097 1.00 0.00 H new ATOM 0 HB VAL A 29 4.283 0.939 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.180 2.376 0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.269 3.192 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.422 3.617 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.677 0.665 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.094 1.733 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.055 0.187 1.403 1.00 0.00 H new ATOM 189 N LYS A 30 8.048 1.323 3.425 1.00 0.00 N ATOM 190 CA LYS A 30 9.104 0.495 3.979 1.00 0.00 C ATOM 191 C LYS A 30 9.267 0.756 5.464 1.00 0.00 C ATOM 192 O LYS A 30 9.867 1.740 5.892 1.00 0.00 O ATOM 193 CB LYS A 30 10.417 0.733 3.247 1.00 0.00 C ATOM 194 CG LYS A 30 11.601 -0.012 3.885 1.00 0.00 C ATOM 195 CD LYS A 30 12.787 -0.085 2.916 1.00 0.00 C ATOM 196 CE LYS A 30 14.060 -0.586 3.608 1.00 0.00 C ATOM 197 NZ LYS A 30 13.876 -1.915 4.218 1.00 0.00 N ATOM 0 H LYS A 30 8.357 1.931 2.666 1.00 0.00 H new ATOM 0 HA LYS A 30 8.822 -0.549 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.311 0.416 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.631 1.802 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.905 0.496 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.293 -1.019 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.539 -0.749 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.969 0.902 2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.872 -0.630 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.358 0.127 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.793 -2.272 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.218 -1.841 5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.487 -2.571 3.511 1.00 0.00 H new ATOM 198 N GLY A 31 8.721 -0.180 6.226 1.00 0.00 N ATOM 199 CA GLY A 31 8.773 -0.189 7.675 1.00 0.00 C ATOM 200 C GLY A 31 7.400 0.003 8.298 1.00 0.00 C ATOM 201 O GLY A 31 7.268 -0.155 9.510 1.00 0.00 O ATOM 0 H GLY A 31 8.215 -0.977 5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.196 -1.134 8.016 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.440 0.602 8.018 1.00 0.00 H new ATOM 202 N GLN A 32 6.377 0.363 7.511 1.00 0.00 N ATOM 203 CA GLN A 32 5.055 0.518 8.068 1.00 0.00 C ATOM 204 C GLN A 32 4.598 -0.884 8.540 1.00 0.00 C ATOM 205 O GLN A 32 4.988 -1.888 7.948 1.00 0.00 O ATOM 206 CB GLN A 32 4.106 1.201 7.066 1.00 0.00 C ATOM 207 CG GLN A 32 4.356 2.712 6.799 1.00 0.00 C ATOM 208 CD GLN A 32 3.268 3.340 5.899 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.128 2.896 5.960 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.546 4.348 5.052 1.00 0.00 N ATOM 0 H GLN A 32 6.450 0.546 6.510 1.00 0.00 H new ATOM 0 HA GLN A 32 5.049 1.187 8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.172 0.670 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.084 1.082 7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.390 3.245 7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.331 2.838 6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.494 4.721 4.997 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.809 4.739 4.465 1.00 0.00 H new ATOM 211 N GLY A 33 3.804 -0.982 9.612 1.00 0.00 N ATOM 212 CA GLY A 33 3.413 -2.279 10.182 1.00 0.00 C ATOM 213 C GLY A 33 2.285 -2.989 9.431 1.00 0.00 C ATOM 214 O GLY A 33 1.348 -2.332 9.005 1.00 0.00 O ATOM 0 H GLY A 33 3.418 -0.177 10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.286 -2.931 10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.105 -2.129 11.217 1.00 0.00 H new ATOM 215 N ALA A 34 2.312 -4.323 9.306 1.00 0.00 N ATOM 216 CA ALA A 34 1.302 -5.116 8.599 1.00 0.00 C ATOM 217 C ALA A 34 -0.116 -4.735 9.005 1.00 0.00 C ATOM 218 O ALA A 34 -0.968 -4.525 8.150 1.00 0.00 O ATOM 219 CB ALA A 34 1.515 -6.612 8.862 1.00 0.00 C ATOM 0 H ALA A 34 3.057 -4.894 9.705 1.00 0.00 H new ATOM 0 HA ALA A 34 1.421 -4.903 7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.757 -7.187 8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.505 -6.906 8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.435 -6.808 9.931 1.00 0.00 H new ATOM 220 N GLU A 35 -0.369 -4.655 10.310 1.00 0.00 N ATOM 221 CA GLU A 35 -1.686 -4.292 10.825 1.00 0.00 C ATOM 222 C GLU A 35 -2.079 -2.900 10.319 1.00 0.00 C ATOM 223 O GLU A 35 -3.218 -2.672 9.916 1.00 0.00 O ATOM 224 CB GLU A 35 -1.654 -4.364 12.362 1.00 0.00 C ATOM 225 CG GLU A 35 -2.894 -3.774 13.054 1.00 0.00 C ATOM 226 CD GLU A 35 -4.219 -4.349 12.554 1.00 0.00 C ATOM 227 OE1 GLU A 35 -4.244 -5.563 12.261 1.00 0.00 O ATOM 228 OE2 GLU A 35 -5.186 -3.559 12.492 1.00 0.00 O ATOM 0 H GLU A 35 0.326 -4.838 11.033 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.444 -4.989 10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.548 -5.406 12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.769 -3.837 12.719 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.816 -3.949 14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.900 -2.694 12.907 1.00 0.00 H new ATOM 229 N GLU A 36 -1.120 -1.974 10.346 1.00 0.00 N ATOM 230 CA GLU A 36 -1.290 -0.603 9.906 1.00 0.00 C ATOM 231 C GLU A 36 -1.653 -0.613 8.421 1.00 0.00 C ATOM 232 O GLU A 36 -2.736 -0.185 8.031 1.00 0.00 O ATOM 233 CB GLU A 36 0.036 0.137 10.183 1.00 0.00 C ATOM 234 CG GLU A 36 -0.057 1.663 10.223 1.00 0.00 C ATOM 235 CD GLU A 36 1.328 2.318 10.250 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.332 1.569 10.311 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.355 3.567 10.201 1.00 0.00 O ATOM 0 H GLU A 36 -0.179 -2.170 10.686 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.092 -0.090 10.436 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.433 -0.210 11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.757 -0.146 9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.609 2.016 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.621 1.970 11.104 1.00 0.00 H new ATOM 238 N LEU A 37 -0.737 -1.149 7.615 1.00 0.00 N ATOM 239 CA LEU A 37 -0.821 -1.297 6.181 1.00 0.00 C ATOM 240 C LEU A 37 -2.159 -1.912 5.792 1.00 0.00 C ATOM 241 O LEU A 37 -2.832 -1.408 4.902 1.00 0.00 O ATOM 242 CB LEU A 37 0.334 -2.206 5.744 1.00 0.00 C ATOM 243 CG LEU A 37 1.720 -1.552 5.875 1.00 0.00 C ATOM 244 CD1 LEU A 37 2.793 -2.640 5.893 1.00 0.00 C ATOM 245 CD2 LEU A 37 1.970 -0.650 4.673 1.00 0.00 C ATOM 0 H LEU A 37 0.141 -1.514 7.983 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.748 -0.327 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.314 -3.117 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.179 -2.503 4.707 1.00 0.00 H new ATOM 0 HG LEU A 37 1.757 -0.970 6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.777 -2.179 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.622 -3.305 6.739 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.746 -3.212 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.952 -0.186 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.933 -1.243 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.205 0.125 4.634 1.00 0.00 H new ATOM 246 N TYR A 38 -2.551 -2.998 6.456 1.00 0.00 N ATOM 247 CA TYR A 38 -3.794 -3.689 6.176 1.00 0.00 C ATOM 248 C TYR A 38 -5.001 -2.840 6.526 1.00 0.00 C ATOM 249 O TYR A 38 -5.890 -2.690 5.696 1.00 0.00 O ATOM 250 CB TYR A 38 -3.851 -4.987 6.970 1.00 0.00 C ATOM 251 CG TYR A 38 -5.192 -5.695 6.873 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.649 -6.181 5.630 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.089 -5.603 7.953 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.998 -6.552 5.468 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.435 -5.970 7.788 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.895 -6.428 6.544 1.00 0.00 C ATOM 257 OH TYR A 38 -9.218 -6.726 6.404 1.00 0.00 O ATOM 0 H TYR A 38 -2.006 -3.421 7.208 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.821 -3.897 5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.068 -5.657 6.614 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.636 -4.774 8.017 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.963 -6.269 4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.742 -5.249 8.912 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.343 -6.932 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.118 -5.899 8.622 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.386 -7.048 5.494 1.00 0.00 H new ATOM 258 N LYS A 39 -5.067 -2.311 7.750 1.00 0.00 N ATOM 259 CA LYS A 39 -6.214 -1.517 8.157 1.00 0.00 C ATOM 260 C LYS A 39 -6.383 -0.329 7.209 1.00 0.00 C ATOM 261 O LYS A 39 -7.494 0.022 6.808 1.00 0.00 O ATOM 262 CB LYS A 39 -5.992 -1.078 9.608 1.00 0.00 C ATOM 263 CG LYS A 39 -7.174 -0.295 10.187 1.00 0.00 C ATOM 264 CD LYS A 39 -7.158 -0.268 11.723 1.00 0.00 C ATOM 265 CE LYS A 39 -5.889 0.343 12.336 1.00 0.00 C ATOM 266 NZ LYS A 39 -4.766 -0.613 12.383 1.00 0.00 N ATOM 0 H LYS A 39 -4.347 -2.419 8.464 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.136 -2.096 8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.811 -1.959 10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.095 -0.462 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.151 0.727 9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.107 -0.742 9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.023 0.296 12.073 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.271 -1.287 12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.594 1.217 11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.108 0.690 13.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.232 -0.479 13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.135 -1.585 12.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.138 -0.451 11.570 1.00 0.00 H new ATOM 267 N LYS A 40 -5.260 0.268 6.816 1.00 0.00 N ATOM 268 CA LYS A 40 -5.245 1.413 5.947 1.00 0.00 C ATOM 269 C LYS A 40 -5.660 1.019 4.532 1.00 0.00 C ATOM 270 O LYS A 40 -6.551 1.639 3.954 1.00 0.00 O ATOM 271 CB LYS A 40 -3.842 1.996 6.038 1.00 0.00 C ATOM 272 CG LYS A 40 -3.724 2.786 7.351 1.00 0.00 C ATOM 273 CD LYS A 40 -2.352 3.450 7.444 1.00 0.00 C ATOM 274 CE LYS A 40 -2.195 4.318 8.696 1.00 0.00 C ATOM 275 NZ LYS A 40 -3.101 5.482 8.670 1.00 0.00 N ATOM 0 H LYS A 40 -4.332 -0.043 7.102 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.968 2.173 6.244 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.099 1.199 6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.647 2.647 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.507 3.543 7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.872 2.119 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.580 2.680 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.191 4.065 6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.399 3.718 9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.163 4.661 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.733 6.223 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.163 5.852 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.047 5.193 8.991 1.00 0.00 H new ATOM 276 N MET A 41 -5.048 -0.021 3.967 1.00 0.00 N ATOM 277 CA MET A 41 -5.411 -0.474 2.639 1.00 0.00 C ATOM 278 C MET A 41 -6.862 -0.933 2.626 1.00 0.00 C ATOM 279 O MET A 41 -7.516 -0.772 1.609 1.00 0.00 O ATOM 280 CB MET A 41 -4.505 -1.602 2.164 1.00 0.00 C ATOM 281 CG MET A 41 -3.170 -1.073 1.639 1.00 0.00 C ATOM 282 SD MET A 41 -2.212 -2.313 0.741 1.00 0.00 S ATOM 283 CE MET A 41 -1.887 -3.443 2.103 1.00 0.00 C ATOM 0 H MET A 41 -4.303 -0.559 4.411 1.00 0.00 H new ATOM 0 HA MET A 41 -5.287 0.365 1.954 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.324 -2.294 2.986 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.007 -2.166 1.378 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.357 -0.223 0.982 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.579 -0.704 2.477 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.002 -4.038 1.879 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.719 -2.873 3.017 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.743 -4.103 2.240 1.00 0.00 H new ATOM 284 N LYS A 42 -7.379 -1.518 3.708 1.00 0.00 N ATOM 285 CA LYS A 42 -8.777 -1.916 3.762 1.00 0.00 C ATOM 286 C LYS A 42 -9.604 -0.631 3.657 1.00 0.00 C ATOM 287 O LYS A 42 -10.535 -0.548 2.860 1.00 0.00 O ATOM 288 CB LYS A 42 -9.049 -2.715 5.046 1.00 0.00 C ATOM 289 CG LYS A 42 -10.495 -3.216 5.173 1.00 0.00 C ATOM 290 CD LYS A 42 -10.948 -4.036 3.956 1.00 0.00 C ATOM 291 CE LYS A 42 -12.277 -4.739 4.250 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.812 -5.396 3.045 1.00 0.00 N ATOM 0 H LYS A 42 -6.848 -1.724 4.554 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.051 -2.581 2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.374 -3.570 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.814 -2.090 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.586 -3.827 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.161 -2.362 5.299 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.059 -3.383 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.187 -4.774 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.133 -5.479 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.000 -4.014 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.811 -5.640 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.734 -4.750 2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.269 -6.262 2.852 1.00 0.00 H new ATOM 293 N GLY A 43 -9.228 0.397 4.426 1.00 0.00 N ATOM 294 CA GLY A 43 -9.889 1.687 4.367 1.00 0.00 C ATOM 295 C GLY A 43 -9.903 2.214 2.933 1.00 0.00 C ATOM 296 O GLY A 43 -10.967 2.553 2.424 1.00 0.00 O ATOM 0 H GLY A 43 -8.462 0.350 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.910 1.597 4.738 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.375 2.396 5.017 1.00 0.00 H new ATOM 297 N TYR A 44 -8.741 2.279 2.270 1.00 0.00 N ATOM 298 CA TYR A 44 -8.656 2.744 0.890 1.00 0.00 C ATOM 299 C TYR A 44 -9.488 1.841 -0.023 1.00 0.00 C ATOM 300 O TYR A 44 -10.239 2.338 -0.855 1.00 0.00 O ATOM 301 CB TYR A 44 -7.189 2.766 0.432 1.00 0.00 C ATOM 302 CG TYR A 44 -6.310 3.904 0.924 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.816 5.185 1.225 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.922 3.701 0.982 1.00 0.00 C ATOM 305 CE1 TYR A 44 -6.003 6.109 1.893 1.00 0.00 C ATOM 306 CE2 TYR A 44 -4.081 4.694 1.496 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.630 5.865 2.029 1.00 0.00 C ATOM 308 OH TYR A 44 -3.853 6.721 2.742 1.00 0.00 O ATOM 0 H TYR A 44 -7.844 2.012 2.675 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.055 3.757 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.727 1.828 0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.179 2.782 -0.658 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.824 5.452 0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.501 2.772 0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.434 7.010 2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.010 4.557 1.481 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.065 6.639 3.695 1.00 0.00 H new ATOM 309 N ALA A 45 -9.390 0.520 0.141 1.00 0.00 N ATOM 310 CA ALA A 45 -10.124 -0.460 -0.649 1.00 0.00 C ATOM 311 C ALA A 45 -11.615 -0.105 -0.608 1.00 0.00 C ATOM 312 O ALA A 45 -12.285 -0.078 -1.639 1.00 0.00 O ATOM 313 CB ALA A 45 -9.921 -1.877 -0.105 1.00 0.00 C ATOM 0 H ALA A 45 -8.784 0.097 0.843 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.751 -0.436 -1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.481 -2.585 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.861 -2.130 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.276 -1.926 0.925 1.00 0.00 H new ATOM 314 N ASP A 46 -12.106 0.210 0.599 1.00 0.00 N ATOM 315 CA ASP A 46 -13.501 0.554 0.853 1.00 0.00 C ATOM 316 C ASP A 46 -13.789 2.047 0.652 1.00 0.00 C ATOM 317 O ASP A 46 -14.917 2.477 0.878 1.00 0.00 O ATOM 318 CB ASP A 46 -13.854 0.183 2.303 1.00 0.00 C ATOM 319 CG ASP A 46 -13.629 -1.284 2.661 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.702 -2.134 1.747 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.401 -1.533 3.865 1.00 0.00 O ATOM 0 H ASP A 46 -11.528 0.231 1.439 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.106 -0.003 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.261 0.802 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.901 0.430 2.482 1.00 0.00 H new ATOM 322 N GLY A 47 -12.799 2.857 0.262 1.00 0.00 N ATOM 323 CA GLY A 47 -12.960 4.296 0.093 1.00 0.00 C ATOM 324 C GLY A 47 -13.418 4.972 1.392 1.00 0.00 C ATOM 325 O GLY A 47 -14.103 5.991 1.352 1.00 0.00 O ATOM 0 H GLY A 47 -11.857 2.525 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.015 4.732 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.688 4.491 -0.695 1.00 0.00 H new ATOM 326 N SER A 48 -13.012 4.422 2.543 1.00 0.00 N ATOM 327 CA SER A 48 -13.356 4.892 3.879 1.00 0.00 C ATOM 328 C SER A 48 -12.133 5.462 4.610 1.00 0.00 C ATOM 329 O SER A 48 -12.081 5.435 5.840 1.00 0.00 O ATOM 330 CB SER A 48 -13.959 3.709 4.647 1.00 0.00 C ATOM 331 OG SER A 48 -14.464 4.132 5.897 1.00 0.00 O ATOM 0 H SER A 48 -12.408 3.600 2.563 1.00 0.00 H new ATOM 0 HA SER A 48 -14.077 5.706 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.759 3.257 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.200 2.941 4.797 1.00 0.00 H new ATOM 0 HG SER A 48 -13.818 4.733 6.324 1.00 0.00 H new ATOM 332 N TYR A 49 -11.147 5.961 3.865 1.00 0.00 N ATOM 333 CA TYR A 49 -9.916 6.559 4.359 1.00 0.00 C ATOM 334 C TYR A 49 -9.378 7.363 3.184 1.00 0.00 C ATOM 335 O TYR A 49 -9.437 6.863 2.064 1.00 0.00 O ATOM 336 CB TYR A 49 -8.922 5.452 4.771 1.00 0.00 C ATOM 337 CG TYR A 49 -7.487 5.859 5.105 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.189 7.079 5.745 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.432 4.981 4.782 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.851 7.429 6.012 1.00 0.00 C ATOM 341 CE2 TYR A 49 -5.098 5.320 5.077 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.811 6.536 5.712 1.00 0.00 C ATOM 343 OH TYR A 49 -3.530 6.862 6.050 1.00 0.00 O ATOM 0 H TYR A 49 -11.192 5.957 2.846 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.074 7.183 5.238 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.334 4.941 5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.882 4.722 3.962 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.988 7.747 6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.650 4.038 4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.624 8.390 6.450 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.297 4.644 4.815 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.906 6.284 5.563 1.00 0.00 H new ATOM 344 N GLY A 50 -8.928 8.604 3.387 1.00 0.00 N ATOM 345 CA GLY A 50 -8.354 9.363 2.292 1.00 0.00 C ATOM 346 C GLY A 50 -8.293 10.869 2.504 1.00 0.00 C ATOM 347 O GLY A 50 -8.588 11.402 3.570 1.00 0.00 O ATOM 0 H GLY A 50 -8.952 9.090 4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.344 8.998 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.933 9.163 1.391 1.00 0.00 H new ATOM 348 N GLY A 51 -7.829 11.496 1.429 1.00 0.00 N ATOM 349 CA GLY A 51 -7.523 12.849 1.098 1.00 0.00 C ATOM 350 C GLY A 51 -7.072 12.831 -0.359 1.00 0.00 C ATOM 351 O GLY A 51 -7.143 11.795 -1.017 1.00 0.00 O ATOM 0 H GLY A 51 -7.624 10.920 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.395 13.490 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.738 13.242 1.745 1.00 0.00 H new ATOM 352 N GLU A 52 -6.574 13.962 -0.838 1.00 0.00 N ATOM 353 CA GLU A 52 -6.126 14.132 -2.219 1.00 0.00 C ATOM 354 C GLU A 52 -5.095 13.071 -2.628 1.00 0.00 C ATOM 355 O GLU A 52 -5.329 12.291 -3.547 1.00 0.00 O ATOM 356 CB GLU A 52 -5.550 15.544 -2.397 1.00 0.00 C ATOM 357 CG GLU A 52 -6.614 16.628 -2.178 1.00 0.00 C ATOM 358 CD GLU A 52 -6.029 18.019 -2.397 1.00 0.00 C ATOM 359 OE1 GLU A 52 -5.332 18.488 -1.471 1.00 0.00 O ATOM 360 OE2 GLU A 52 -6.277 18.580 -3.486 1.00 0.00 O ATOM 0 H GLU A 52 -6.467 14.803 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.988 14.001 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.730 15.693 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.133 15.642 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.447 16.468 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.013 16.552 -1.166 1.00 0.00 H new ATOM 361 N ARG A 53 -3.957 13.028 -1.932 1.00 0.00 N ATOM 362 CA ARG A 53 -2.875 12.087 -2.227 1.00 0.00 C ATOM 363 C ARG A 53 -3.402 10.645 -2.207 1.00 0.00 C ATOM 364 O ARG A 53 -3.098 9.831 -3.077 1.00 0.00 O ATOM 365 CB ARG A 53 -1.697 12.286 -1.245 1.00 0.00 C ATOM 366 CG ARG A 53 -2.049 12.904 0.120 1.00 0.00 C ATOM 367 CD ARG A 53 -0.963 12.644 1.173 1.00 0.00 C ATOM 368 NE ARG A 53 0.310 13.326 0.889 1.00 0.00 N ATOM 369 CZ ARG A 53 1.419 13.143 1.629 1.00 0.00 C ATOM 370 NH1 ARG A 53 1.422 12.291 2.657 1.00 0.00 N ATOM 371 NH2 ARG A 53 2.546 13.804 1.357 1.00 0.00 N ATOM 0 H ARG A 53 -3.760 13.647 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.497 12.285 -3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.227 11.318 -1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.952 12.920 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.190 13.979 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.996 12.493 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.329 12.967 2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.783 11.571 1.240 1.00 0.00 H new ATOM 0 HE ARG A 53 0.354 13.966 0.096 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.577 11.769 2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.269 12.162 3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.576 14.461 0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.377 13.652 1.929 1.00 0.00 H new ATOM 372 N LYS A 54 -4.240 10.360 -1.215 1.00 0.00 N ATOM 373 CA LYS A 54 -4.880 9.109 -0.930 1.00 0.00 C ATOM 374 C LYS A 54 -5.994 8.743 -1.931 1.00 0.00 C ATOM 375 O LYS A 54 -6.516 7.630 -1.882 1.00 0.00 O ATOM 376 CB LYS A 54 -5.413 9.266 0.479 1.00 0.00 C ATOM 377 CG LYS A 54 -4.299 9.527 1.513 1.00 0.00 C ATOM 378 CD LYS A 54 -4.851 9.756 2.930 1.00 0.00 C ATOM 379 CE LYS A 54 -3.748 10.157 3.913 1.00 0.00 C ATOM 380 NZ LYS A 54 -2.867 9.025 4.235 1.00 0.00 N ATOM 0 H LYS A 54 -4.503 11.074 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.176 8.282 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.126 10.090 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.959 8.365 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.614 8.679 1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.721 10.399 1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.613 10.535 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.338 8.846 3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.157 10.967 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.199 10.539 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.917 9.379 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.251 8.508 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.810 8.386 3.417 1.00 0.00 H new ATOM 381 N ALA A 55 -6.370 9.645 -2.841 1.00 0.00 N ATOM 382 CA ALA A 55 -7.419 9.390 -3.826 1.00 0.00 C ATOM 383 C ALA A 55 -6.903 8.400 -4.868 1.00 0.00 C ATOM 384 O ALA A 55 -7.556 7.402 -5.176 1.00 0.00 O ATOM 385 CB ALA A 55 -7.857 10.702 -4.484 1.00 0.00 C ATOM 0 H ALA A 55 -5.954 10.573 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.289 8.958 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.639 10.499 -5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.241 11.381 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.004 11.161 -4.983 1.00 0.00 H new ATOM 386 N MET A 56 -5.711 8.683 -5.403 1.00 0.00 N ATOM 387 CA MET A 56 -5.050 7.820 -6.373 1.00 0.00 C ATOM 388 C MET A 56 -4.948 6.431 -5.743 1.00 0.00 C ATOM 389 O MET A 56 -5.352 5.424 -6.320 1.00 0.00 O ATOM 390 CB MET A 56 -3.661 8.387 -6.697 1.00 0.00 C ATOM 391 CG MET A 56 -3.751 9.738 -7.419 1.00 0.00 C ATOM 392 SD MET A 56 -2.162 10.550 -7.734 1.00 0.00 S ATOM 393 CE MET A 56 -1.748 11.116 -6.068 1.00 0.00 C ATOM 0 H MET A 56 -5.180 9.522 -5.171 1.00 0.00 H new ATOM 0 HA MET A 56 -5.608 7.763 -7.307 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.092 8.505 -5.775 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.115 7.678 -7.319 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.261 9.590 -8.371 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.373 10.409 -6.826 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.838 11.715 -6.103 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.565 11.721 -5.676 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.591 10.254 -5.419 1.00 0.00 H new ATOM 394 N MET A 57 -4.443 6.422 -4.510 1.00 0.00 N ATOM 395 CA MET A 57 -4.286 5.250 -3.672 1.00 0.00 C ATOM 396 C MET A 57 -5.597 4.471 -3.582 1.00 0.00 C ATOM 397 O MET A 57 -5.629 3.278 -3.870 1.00 0.00 O ATOM 398 CB MET A 57 -3.838 5.733 -2.289 1.00 0.00 C ATOM 399 CG MET A 57 -2.319 5.725 -2.146 1.00 0.00 C ATOM 400 SD MET A 57 -1.566 4.108 -2.403 1.00 0.00 S ATOM 401 CE MET A 57 -2.564 3.034 -1.352 1.00 0.00 C ATOM 0 H MET A 57 -4.119 7.275 -4.054 1.00 0.00 H new ATOM 0 HA MET A 57 -3.543 4.573 -4.095 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.213 6.742 -2.118 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.278 5.095 -1.522 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.894 6.430 -2.860 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.056 6.082 -1.150 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.330 1.992 -1.570 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.345 3.244 -0.305 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.621 3.216 -1.545 1.00 0.00 H new ATOM 402 N THR A 58 -6.679 5.139 -3.180 1.00 0.00 N ATOM 403 CA THR A 58 -7.999 4.533 -3.076 1.00 0.00 C ATOM 404 C THR A 58 -8.335 3.810 -4.379 1.00 0.00 C ATOM 405 O THR A 58 -8.643 2.617 -4.371 1.00 0.00 O ATOM 406 CB THR A 58 -9.022 5.631 -2.728 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.763 6.092 -1.419 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.477 5.163 -2.799 1.00 0.00 C ATOM 0 H THR A 58 -6.659 6.124 -2.916 1.00 0.00 H new ATOM 0 HA THR A 58 -8.025 3.787 -2.281 1.00 0.00 H new ATOM 0 HB THR A 58 -8.904 6.418 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.978 6.679 -1.428 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.138 5.990 -2.541 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.700 4.821 -3.810 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.630 4.344 -2.097 1.00 0.00 H new ATOM 409 N ASN A 59 -8.237 4.524 -5.504 1.00 0.00 N ATOM 410 CA ASN A 59 -8.519 3.945 -6.810 1.00 0.00 C ATOM 411 C ASN A 59 -7.581 2.765 -7.092 1.00 0.00 C ATOM 412 O ASN A 59 -7.987 1.803 -7.742 1.00 0.00 O ATOM 413 CB ASN A 59 -8.367 5.023 -7.893 1.00 0.00 C ATOM 414 CG ASN A 59 -9.110 4.709 -9.195 1.00 0.00 C ATOM 415 OD1 ASN A 59 -9.690 5.605 -9.797 1.00 0.00 O ATOM 416 ND2 ASN A 59 -9.124 3.464 -9.665 1.00 0.00 N ATOM 0 H ASN A 59 -7.963 5.506 -5.531 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.543 3.571 -6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.730 5.972 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.308 5.154 -8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.619 3.251 -10.531 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.639 2.723 -9.159 1.00 0.00 H new ATOM 417 N ALA A 60 -6.333 2.836 -6.626 1.00 0.00 N ATOM 418 CA ALA A 60 -5.334 1.809 -6.855 1.00 0.00 C ATOM 419 C ALA A 60 -5.590 0.516 -6.080 1.00 0.00 C ATOM 420 O ALA A 60 -5.609 -0.554 -6.684 1.00 0.00 O ATOM 421 CB ALA A 60 -3.948 2.349 -6.475 1.00 0.00 C ATOM 0 H ALA A 60 -5.990 3.621 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.388 1.560 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.197 1.578 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.718 3.222 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.944 2.631 -5.422 1.00 0.00 H new ATOM 422 N VAL A 61 -5.796 0.577 -4.760 1.00 0.00 N ATOM 423 CA VAL A 61 -5.871 -0.665 -3.992 1.00 0.00 C ATOM 424 C VAL A 61 -7.202 -1.391 -4.161 1.00 0.00 C ATOM 425 O VAL A 61 -7.230 -2.611 -4.015 1.00 0.00 O ATOM 426 CB VAL A 61 -5.621 -0.430 -2.489 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.598 0.653 -2.173 1.00 0.00 C ATOM 428 CG2 VAL A 61 -6.844 -0.232 -1.609 1.00 0.00 C ATOM 0 H VAL A 61 -5.909 1.436 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.081 -1.296 -4.399 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.205 -1.402 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.489 0.747 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.637 0.385 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.934 1.603 -2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.529 -0.077 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.402 0.639 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.480 -1.116 -1.665 1.00 0.00 H new ATOM 429 N LYS A 62 -8.307 -0.693 -4.452 1.00 0.00 N ATOM 430 CA LYS A 62 -9.608 -1.356 -4.540 1.00 0.00 C ATOM 431 C LYS A 62 -9.673 -2.477 -5.588 1.00 0.00 C ATOM 432 O LYS A 62 -10.636 -3.238 -5.587 1.00 0.00 O ATOM 433 CB LYS A 62 -10.725 -0.321 -4.702 1.00 0.00 C ATOM 434 CG LYS A 62 -10.696 0.467 -6.014 1.00 0.00 C ATOM 435 CD LYS A 62 -11.952 1.337 -6.182 1.00 0.00 C ATOM 436 CE LYS A 62 -12.191 2.324 -5.026 1.00 0.00 C ATOM 437 NZ LYS A 62 -12.961 1.733 -3.911 1.00 0.00 N ATOM 0 H LYS A 62 -8.325 0.312 -4.627 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.761 -1.875 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.685 -0.831 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.669 0.383 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.809 1.100 -6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.618 -0.225 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.871 1.897 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.822 0.687 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.230 2.675 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.723 3.197 -5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.685 2.408 -3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.421 0.858 -4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.319 1.517 -3.122 1.00 0.00 H new ATOM 438 N LYS A 63 -8.684 -2.596 -6.482 1.00 0.00 N ATOM 439 CA LYS A 63 -8.660 -3.692 -7.443 1.00 0.00 C ATOM 440 C LYS A 63 -8.335 -5.015 -6.723 1.00 0.00 C ATOM 441 O LYS A 63 -8.604 -6.088 -7.259 1.00 0.00 O ATOM 442 CB LYS A 63 -7.673 -3.371 -8.574 1.00 0.00 C ATOM 443 CG LYS A 63 -6.197 -3.402 -8.155 1.00 0.00 C ATOM 444 CD LYS A 63 -5.371 -2.618 -9.186 1.00 0.00 C ATOM 445 CE LYS A 63 -3.880 -2.625 -8.841 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.269 -3.942 -9.085 1.00 0.00 N ATOM 0 H LYS A 63 -7.898 -1.950 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.642 -3.812 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.823 -4.085 -9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.904 -2.383 -8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.077 -2.964 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.844 -4.431 -8.093 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.518 -3.052 -10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.729 -1.589 -9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.366 -1.870 -9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.748 -2.351 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.746 -4.244 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.014 -4.636 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.615 -3.877 -9.891 1.00 0.00 H new ATOM 447 N TYR A 64 -7.720 -4.950 -5.534 1.00 0.00 N ATOM 448 CA TYR A 64 -7.388 -6.081 -4.702 1.00 0.00 C ATOM 449 C TYR A 64 -8.605 -6.416 -3.840 1.00 0.00 C ATOM 450 O TYR A 64 -9.727 -5.965 -4.059 1.00 0.00 O ATOM 451 CB TYR A 64 -6.151 -5.700 -3.872 1.00 0.00 C ATOM 452 CG TYR A 64 -4.922 -5.317 -4.674 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.375 -6.193 -5.633 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.282 -4.096 -4.408 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.199 -5.840 -6.323 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.147 -3.723 -5.140 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.579 -4.606 -6.068 1.00 0.00 C ATOM 458 OH TYR A 64 -1.485 -4.207 -6.775 1.00 0.00 O ATOM 0 H TYR A 64 -7.434 -4.062 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.145 -6.972 -5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.414 -4.866 -3.221 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.895 -6.540 -3.226 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.858 -7.137 -5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.665 -3.443 -3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.774 -6.518 -7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.707 -2.748 -4.988 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.785 -4.890 -6.708 1.00 0.00 H new ATOM 459 N SER A 65 -8.365 -7.258 -2.852 1.00 0.00 N ATOM 460 CA SER A 65 -9.313 -7.762 -1.873 1.00 0.00 C ATOM 461 C SER A 65 -8.500 -8.252 -0.681 1.00 0.00 C ATOM 462 O SER A 65 -7.316 -8.534 -0.845 1.00 0.00 O ATOM 463 CB SER A 65 -10.145 -8.874 -2.511 1.00 0.00 C ATOM 464 OG SER A 65 -11.098 -8.314 -3.396 1.00 0.00 O ATOM 0 H SER A 65 -7.430 -7.637 -2.701 1.00 0.00 H new ATOM 0 HA SER A 65 -10.012 -6.997 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.495 -9.563 -3.051 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.650 -9.452 -1.737 1.00 0.00 H new ATOM 0 HG SER A 65 -10.781 -7.441 -3.708 1.00 0.00 H new ATOM 465 N ASP A 66 -9.124 -8.339 0.496 1.00 0.00 N ATOM 466 CA ASP A 66 -8.531 -8.721 1.777 1.00 0.00 C ATOM 467 C ASP A 66 -7.346 -9.685 1.695 1.00 0.00 C ATOM 468 O ASP A 66 -6.331 -9.435 2.335 1.00 0.00 O ATOM 469 CB ASP A 66 -9.622 -9.296 2.682 1.00 0.00 C ATOM 470 CG ASP A 66 -10.581 -8.187 3.083 1.00 0.00 C ATOM 471 OD1 ASP A 66 -11.431 -7.843 2.232 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.402 -7.656 4.200 1.00 0.00 O ATOM 0 H ASP A 66 -10.119 -8.131 0.584 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.108 -7.806 2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.161 -10.088 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.175 -9.744 3.569 1.00 0.00 H new ATOM 473 N GLU A 67 -7.449 -10.779 0.938 1.00 0.00 N ATOM 474 CA GLU A 67 -6.345 -11.730 0.844 1.00 0.00 C ATOM 475 C GLU A 67 -5.124 -11.072 0.188 1.00 0.00 C ATOM 476 O GLU A 67 -4.014 -11.113 0.718 1.00 0.00 O ATOM 477 CB GLU A 67 -6.807 -12.982 0.082 1.00 0.00 C ATOM 478 CG GLU A 67 -5.745 -14.094 0.085 1.00 0.00 C ATOM 479 CD GLU A 67 -5.330 -14.520 1.494 1.00 0.00 C ATOM 480 OE1 GLU A 67 -6.242 -14.681 2.335 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.108 -14.659 1.714 1.00 0.00 O ATOM 0 H GLU A 67 -8.273 -11.024 0.390 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.041 -12.039 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.726 -13.359 0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.043 -12.711 -0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.132 -14.960 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.865 -13.750 -0.459 1.00 0.00 H new ATOM 482 N GLU A 68 -5.332 -10.450 -0.971 1.00 0.00 N ATOM 483 CA GLU A 68 -4.291 -9.770 -1.715 1.00 0.00 C ATOM 484 C GLU A 68 -3.760 -8.606 -0.874 1.00 0.00 C ATOM 485 O GLU A 68 -2.556 -8.380 -0.804 1.00 0.00 O ATOM 486 CB GLU A 68 -4.865 -9.285 -3.054 1.00 0.00 C ATOM 487 CG GLU A 68 -5.178 -10.427 -4.036 1.00 0.00 C ATOM 488 CD GLU A 68 -6.340 -11.319 -3.599 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.273 -10.779 -2.962 1.00 0.00 O ATOM 490 OE2 GLU A 68 -6.273 -12.530 -3.899 1.00 0.00 O ATOM 0 H GLU A 68 -6.246 -10.408 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.462 -10.445 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.777 -8.718 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.155 -8.601 -3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.408 -10.001 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.287 -11.042 -4.158 1.00 0.00 H new ATOM 491 N LEU A 69 -4.659 -7.867 -0.223 1.00 0.00 N ATOM 492 CA LEU A 69 -4.290 -6.752 0.635 1.00 0.00 C ATOM 493 C LEU A 69 -3.409 -7.260 1.783 1.00 0.00 C ATOM 494 O LEU A 69 -2.405 -6.635 2.119 1.00 0.00 O ATOM 495 CB LEU A 69 -5.555 -6.063 1.158 1.00 0.00 C ATOM 496 CG LEU A 69 -6.405 -5.389 0.069 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.630 -4.746 0.725 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.609 -4.325 -0.691 1.00 0.00 C ATOM 0 H LEU A 69 -5.664 -8.029 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.718 -6.017 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.168 -6.800 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.268 -5.313 1.894 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.711 -6.149 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.241 -4.264 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.218 -5.513 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.305 -4.002 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.243 -3.871 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.271 -3.557 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.745 -4.788 -1.168 1.00 0.00 H new ATOM 499 N LYS A 70 -3.765 -8.397 2.387 1.00 0.00 N ATOM 500 CA LYS A 70 -2.984 -8.995 3.458 1.00 0.00 C ATOM 501 C LYS A 70 -1.608 -9.380 2.909 1.00 0.00 C ATOM 502 O LYS A 70 -0.599 -9.104 3.553 1.00 0.00 O ATOM 503 CB LYS A 70 -3.735 -10.202 4.039 1.00 0.00 C ATOM 504 CG LYS A 70 -2.955 -10.869 5.179 1.00 0.00 C ATOM 505 CD LYS A 70 -3.777 -11.913 5.950 1.00 0.00 C ATOM 506 CE LYS A 70 -4.316 -13.047 5.065 1.00 0.00 C ATOM 507 NZ LYS A 70 -5.624 -12.714 4.472 1.00 0.00 N ATOM 0 H LYS A 70 -4.604 -8.924 2.143 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.840 -8.284 4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.710 -9.880 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.917 -10.931 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.065 -11.348 4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.613 -10.101 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.157 -12.341 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.615 -11.415 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.601 -13.257 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.409 -13.957 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.840 -13.386 3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.361 -12.772 5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.594 -11.749 4.086 1.00 0.00 H new ATOM 508 N ALA A 71 -1.552 -10.004 1.727 1.00 0.00 N ATOM 509 CA ALA A 71 -0.293 -10.389 1.099 1.00 0.00 C ATOM 510 C ALA A 71 0.568 -9.142 0.895 1.00 0.00 C ATOM 511 O ALA A 71 1.752 -9.129 1.235 1.00 0.00 O ATOM 512 CB ALA A 71 -0.577 -11.119 -0.215 1.00 0.00 C ATOM 0 H ALA A 71 -2.378 -10.254 1.184 1.00 0.00 H new ATOM 0 HA ALA A 71 0.261 -11.076 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.365 -11.406 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.169 -12.012 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.129 -10.460 -0.885 1.00 0.00 H new ATOM 513 N LEU A 72 -0.027 -8.071 0.362 1.00 0.00 N ATOM 514 CA LEU A 72 0.688 -6.830 0.155 1.00 0.00 C ATOM 515 C LEU A 72 1.236 -6.295 1.471 1.00 0.00 C ATOM 516 O LEU A 72 2.416 -5.964 1.560 1.00 0.00 O ATOM 517 CB LEU A 72 -0.283 -5.792 -0.396 1.00 0.00 C ATOM 518 CG LEU A 72 -0.417 -5.883 -1.904 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.272 -4.700 -2.319 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.950 -5.696 -2.543 1.00 0.00 C ATOM 0 H LEU A 72 -1.004 -8.049 0.069 1.00 0.00 H new ATOM 0 HA LEU A 72 1.511 -7.017 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.261 -5.931 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.059 -4.794 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.839 -6.842 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.406 -4.709 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.245 -4.766 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.780 -3.774 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.857 -5.761 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.348 -4.718 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.626 -6.474 -2.190 1.00 0.00 H new ATOM 521 N ALA A 73 0.369 -6.165 2.478 1.00 0.00 N ATOM 522 CA ALA A 73 0.771 -5.628 3.763 1.00 0.00 C ATOM 523 C ALA A 73 1.873 -6.490 4.366 1.00 0.00 C ATOM 524 O ALA A 73 2.799 -5.953 4.960 1.00 0.00 O ATOM 525 CB ALA A 73 -0.419 -5.577 4.725 1.00 0.00 C ATOM 0 H ALA A 73 -0.615 -6.427 2.420 1.00 0.00 H new ATOM 0 HA ALA A 73 1.143 -4.615 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.095 -5.171 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.199 -4.941 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.812 -6.583 4.872 1.00 0.00 H new ATOM 526 N ASP A 74 1.774 -7.818 4.249 1.00 0.00 N ATOM 527 CA ASP A 74 2.804 -8.715 4.751 1.00 0.00 C ATOM 528 C ASP A 74 4.124 -8.334 4.084 1.00 0.00 C ATOM 529 O ASP A 74 5.124 -8.140 4.772 1.00 0.00 O ATOM 530 CB ASP A 74 2.445 -10.176 4.465 1.00 0.00 C ATOM 531 CG ASP A 74 3.588 -11.100 4.878 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.682 -11.381 6.091 1.00 0.00 O ATOM 533 OD2 ASP A 74 4.354 -11.498 3.974 1.00 0.00 O ATOM 0 H ASP A 74 0.985 -8.291 3.808 1.00 0.00 H new ATOM 0 HA ASP A 74 2.891 -8.617 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.538 -10.446 5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.233 -10.303 3.403 1.00 0.00 H new ATOM 534 N TYR A 75 4.111 -8.180 2.754 1.00 0.00 N ATOM 535 CA TYR A 75 5.307 -7.790 2.024 1.00 0.00 C ATOM 536 C TYR A 75 5.827 -6.453 2.559 1.00 0.00 C ATOM 537 O TYR A 75 6.958 -6.379 3.030 1.00 0.00 O ATOM 538 CB TYR A 75 5.053 -7.728 0.519 1.00 0.00 C ATOM 539 CG TYR A 75 6.242 -7.178 -0.246 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.493 -7.814 -0.132 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.150 -5.943 -0.916 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.637 -7.240 -0.710 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.292 -5.384 -1.515 1.00 0.00 C ATOM 544 CZ TYR A 75 8.534 -6.027 -1.408 1.00 0.00 C ATOM 545 OH TYR A 75 9.638 -5.456 -1.966 1.00 0.00 O ATOM 0 H TYR A 75 3.286 -8.320 2.171 1.00 0.00 H new ATOM 0 HA TYR A 75 6.072 -8.551 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.819 -8.727 0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.180 -7.104 0.326 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.573 -8.749 0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.203 -5.426 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.594 -7.731 -0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.213 -4.455 -2.060 1.00 0.00 H new ATOM 0 HH TYR A 75 9.385 -4.621 -2.411 1.00 0.00 H new ATOM 546 N MET A 76 5.016 -5.391 2.499 1.00 0.00 N ATOM 547 CA MET A 76 5.434 -4.083 3.003 1.00 0.00 C ATOM 548 C MET A 76 5.908 -4.108 4.467 1.00 0.00 C ATOM 549 O MET A 76 6.806 -3.364 4.850 1.00 0.00 O ATOM 550 CB MET A 76 4.279 -3.112 2.833 1.00 0.00 C ATOM 551 CG MET A 76 4.180 -2.667 1.378 1.00 0.00 C ATOM 552 SD MET A 76 2.809 -1.543 1.081 1.00 0.00 S ATOM 553 CE MET A 76 1.434 -2.693 1.197 1.00 0.00 C ATOM 0 H MET A 76 4.074 -5.413 2.109 1.00 0.00 H new ATOM 0 HA MET A 76 6.300 -3.765 2.423 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.347 -3.586 3.141 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.424 -2.245 3.478 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.111 -2.180 1.088 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.068 -3.545 0.742 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.627 -2.362 0.543 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.764 -3.686 0.893 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.076 -2.729 2.226 1.00 0.00 H new ATOM 554 N SER A 77 5.315 -4.957 5.301 1.00 0.00 N ATOM 555 CA SER A 77 5.703 -5.084 6.703 1.00 0.00 C ATOM 556 C SER A 77 6.989 -5.897 6.868 1.00 0.00 C ATOM 557 O SER A 77 7.451 -6.060 7.997 1.00 0.00 O ATOM 558 CB SER A 77 4.576 -5.752 7.488 1.00 0.00 C ATOM 559 OG SER A 77 4.786 -5.609 8.884 1.00 0.00 O ATOM 0 H SER A 77 4.553 -5.576 5.025 1.00 0.00 H new ATOM 0 HA SER A 77 5.889 -4.081 7.088 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.620 -5.308 7.211 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.523 -6.810 7.229 1.00 0.00 H new ATOM 0 HG SER A 77 5.744 -5.677 9.079 1.00 0.00 H new ATOM 560 N LYS A 78 7.525 -6.440 5.773 1.00 0.00 N ATOM 561 CA LYS A 78 8.744 -7.232 5.706 1.00 0.00 C ATOM 562 C LYS A 78 9.631 -6.607 4.613 1.00 0.00 C ATOM 563 O LYS A 78 10.414 -7.295 3.961 1.00 0.00 O ATOM 564 CB LYS A 78 8.319 -8.681 5.409 1.00 0.00 C ATOM 565 CG LYS A 78 9.395 -9.756 5.604 1.00 0.00 C ATOM 566 CD LYS A 78 8.929 -11.099 5.014 1.00 0.00 C ATOM 567 CE LYS A 78 7.561 -11.548 5.551 1.00 0.00 C ATOM 568 NZ LYS A 78 7.178 -12.870 5.028 1.00 0.00 N ATOM 0 H LYS A 78 7.090 -6.329 4.857 1.00 0.00 H new ATOM 0 HA LYS A 78 9.324 -7.241 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.470 -8.927 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.968 -8.731 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.322 -9.443 5.123 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.611 -9.874 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.877 -11.014 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.671 -11.865 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.591 -11.582 6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.803 -10.814 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.254 -12.802 4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.893 -13.194 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.116 -13.549 5.813 1.00 0.00 H new ATOM 569 N LEU A 79 9.470 -5.295 4.411 1.00 0.00 N ATOM 570 CA LEU A 79 10.154 -4.485 3.422 1.00 0.00 C ATOM 571 C LEU A 79 11.499 -3.986 3.943 1.00 0.00 C ATOM 572 O LEU A 79 12.482 -4.078 3.176 1.00 0.00 O ATOM 573 CB LEU A 79 9.204 -3.321 3.127 1.00 0.00 C ATOM 574 CG LEU A 79 9.421 -2.490 1.870 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.618 -3.402 0.674 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.161 -1.659 1.572 1.00 0.00 C ATOM 577 OXT LEU A 79 11.517 -3.479 5.087 1.00 0.00 O ATOM 0 H LEU A 79 8.818 -4.746 4.972 1.00 0.00 H new ATOM 0 HA LEU A 79 10.382 -5.057 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.193 -3.725 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.240 -2.643 3.980 1.00 0.00 H new ATOM 0 HG LEU A 79 10.291 -1.855 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.773 -2.800 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.489 -4.036 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.734 -4.026 0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.321 -1.066 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.312 -2.326 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.956 -0.995 2.412 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.769 3.966 -2.282 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.677 5.183 0.891 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.065 0.860 -1.064 1.00 7.91 C HETATM 582 CHC HEM A 80 0.350 2.812 -5.477 1.00 6.02 C HETATM 583 CHD HEM A 80 1.149 7.176 -3.496 1.00 10.53 C HETATM 584 NA HEM A 80 0.513 3.162 -0.462 1.00 6.22 N HETATM 585 C1A HEM A 80 0.530 3.826 0.744 1.00 6.23 C HETATM 586 C2A HEM A 80 0.398 2.913 1.844 1.00 8.27 C HETATM 587 C3A HEM A 80 0.257 1.689 1.298 1.00 7.07 C HETATM 588 C4A HEM A 80 0.235 1.851 -0.140 1.00 9.92 C HETATM 589 CMA HEM A 80 0.207 0.408 2.055 1.00 7.00 C HETATM 590 CAA HEM A 80 0.500 3.249 3.314 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.815 3.525 4.053 1.00 11.15 C HETATM 592 CGA HEM A 80 -1.205 4.998 4.028 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.295 5.615 5.084 1.00 18.65 O HETATM 594 O2A HEM A 80 -1.436 5.520 2.949 1.00 17.21 O HETATM 595 NB HEM A 80 0.200 2.216 -3.100 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.177 1.062 -2.441 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.697 0.106 -3.395 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.336 0.556 -4.625 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.101 1.919 -4.445 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.428 -1.166 -3.058 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.344 -0.190 -5.943 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.693 -0.695 -6.459 1.00 6.48 C HETATM 603 NC HEM A 80 0.886 4.793 -4.105 1.00 3.58 N HETATM 604 C1C HEM A 80 0.695 4.146 -5.313 1.00 4.45 C HETATM 605 C2C HEM A 80 0.933 5.040 -6.409 1.00 5.77 C HETATM 606 C3C HEM A 80 1.314 6.229 -5.870 1.00 8.44 C HETATM 607 C4C HEM A 80 1.129 6.121 -4.425 1.00 11.13 C HETATM 608 CMC HEM A 80 0.834 4.634 -7.860 1.00 8.62 C HETATM 609 CAC HEM A 80 1.830 7.429 -6.622 1.00 3.39 C HETATM 610 CBC HEM A 80 0.696 8.203 -7.308 1.00 10.94 C HETATM 611 ND HEM A 80 0.829 5.816 -1.471 1.00 4.28 N HETATM 612 C1D HEM A 80 0.965 7.035 -2.109 1.00 5.02 C HETATM 613 C2D HEM A 80 0.927 8.107 -1.107 1.00 3.97 C HETATM 614 C3D HEM A 80 0.913 7.509 0.125 1.00 5.11 C HETATM 615 C4D HEM A 80 0.797 6.106 -0.123 1.00 9.05 C HETATM 616 CMD HEM A 80 0.928 9.579 -1.421 1.00 5.28 C HETATM 617 CAD HEM A 80 1.026 8.087 1.535 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.230 8.716 2.134 1.00 6.36 C HETATM 619 CGD HEM A 80 0.139 9.577 3.336 1.00 6.46 C HETATM 620 O1D HEM A 80 1.166 9.314 3.957 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.571 10.542 3.600 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.358 -0.330 1.485 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.279 0.572 3.017 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.221 0.042 2.218 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -2.134 -1.402 -3.854 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.969 -1.037 -2.120 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.712 -1.981 -2.955 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.530 5.493 -8.458 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.096 3.839 -7.966 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.804 4.277 -8.205 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 0.386 10.117 -0.643 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 0.443 9.746 -2.383 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 1.955 9.941 -1.465 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.747 -1.237 -7.403 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.600 -0.513 -5.882 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.921 9.097 -7.890 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.334 7.859 -7.213 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.722 3.195 5.088 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.612 2.935 3.601 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.139 4.126 3.419 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.006 2.424 3.817 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.928 7.936 2.436 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -0.736 9.323 1.383 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.812 8.842 1.529 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.355 7.290 2.201 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.701 5.564 1.901 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.223 -0.141 -0.691 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.269 2.440 -6.488 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.319 8.172 -3.877 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.576 -0.361 -6.502 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.881 7.713 -6.673 1.00 3.39 H new