USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=27 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 Set 1.1: A 41 MET CE :methyl -154:sc= -0.665 (180deg=-1.82) USER MOD Set 1.2: A 76 MET CE :methyl -107:sc= -0.837 (180deg=-4.36!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -146:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= 0.854 USER MOD Set 3.1: A 13 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 9 SER OG : rot -73:sc= 0.917 USER MOD Set 4.2: A 10 CYS SG : rot 159:sc= -1.34 USER MOD Set 5.1: A 7 TYR OH : rot -29:sc= -0.526 USER MOD Set 5.2: A 14 HIS :FLIP no HD1:sc= -0.265 F(o=-1.3,f=-0.79) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= -0.201 (180deg=-0.707) USER MOD Single : A 19 SER OG : rot 61:sc= 0.477 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 75:sc= 0.978 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 0.714 (180deg=0.435) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 0.937 (180deg=0.39) USER MOD Single : A 32 GLN : amide:sc= 0.819 K(o=0.82,f=-0.62) USER MOD Single : A 38 TYR OH : rot 2:sc= 1.28 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0565) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0.783 (180deg=0.709) USER MOD Single : A 44 TYR OH : rot 104:sc= 0.021 USER MOD Single : A 48 SER OG : rot -48:sc= 0.626 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 174:sc= -0.328 (180deg=-0.44) USER MOD Single : A 58 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 59 ASN : amide:sc= 0.371 X(o=0.37,f=-0.01) USER MOD Single : A 62 LYS NZ :NH3+ -143:sc= 1.08 (180deg=0.293) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 126:sc= 1.13 USER MOD Single : A 65 SER OG : rot -82:sc= 1.24 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -49:sc= 1.06 USER MOD Single : A 77 SER OG : rot 76:sc= 1.18 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.724 (180deg=0.711) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 1.920 -12.752 -5.183 1.00 0.00 N ATOM 7 CA ASP A 2 0.671 -12.213 -4.647 1.00 0.00 C ATOM 8 C ASP A 2 1.121 -11.990 -3.219 1.00 0.00 C ATOM 9 O ASP A 2 1.361 -12.910 -2.442 1.00 0.00 O ATOM 10 CB ASP A 2 -0.551 -13.080 -4.870 1.00 0.00 C ATOM 11 CG ASP A 2 -1.803 -12.443 -4.273 1.00 0.00 C ATOM 12 OD1 ASP A 2 -1.702 -11.278 -3.830 1.00 0.00 O ATOM 13 OD2 ASP A 2 -2.845 -13.132 -4.279 1.00 0.00 O ATOM 0 HA ASP A 2 0.282 -11.318 -5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.696 -13.239 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.390 -14.060 -4.421 1.00 0.00 H new ATOM 14 N GLY A 3 1.379 -10.718 -2.960 1.00 0.00 N ATOM 15 CA GLY A 3 2.149 -10.309 -1.838 1.00 0.00 C ATOM 16 C GLY A 3 3.507 -10.469 -2.524 1.00 0.00 C ATOM 17 O GLY A 3 4.004 -11.578 -2.763 1.00 0.00 O ATOM 0 H GLY A 3 1.048 -9.947 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.941 -9.289 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.023 -10.951 -0.966 1.00 0.00 H new ATOM 18 N ALA A 4 3.958 -9.327 -3.038 1.00 0.00 N ATOM 19 CA ALA A 4 5.145 -9.105 -3.844 1.00 0.00 C ATOM 20 C ALA A 4 4.743 -9.017 -5.316 1.00 0.00 C ATOM 21 O ALA A 4 5.401 -8.284 -6.045 1.00 0.00 O ATOM 22 CB ALA A 4 6.235 -10.170 -3.656 1.00 0.00 C ATOM 0 H ALA A 4 3.451 -8.456 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 4 5.586 -8.167 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.088 -9.933 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.553 -10.186 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.839 -11.148 -3.929 1.00 0.00 H new ATOM 23 N ALA A 5 3.679 -9.708 -5.779 1.00 0.00 N ATOM 24 CA ALA A 5 3.336 -9.591 -7.191 1.00 0.00 C ATOM 25 C ALA A 5 2.444 -8.382 -7.381 1.00 0.00 C ATOM 26 O ALA A 5 2.573 -7.677 -8.377 1.00 0.00 O ATOM 27 CB ALA A 5 2.637 -10.849 -7.712 1.00 0.00 C ATOM 0 H ALA A 5 3.079 -10.317 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 5 4.257 -9.473 -7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.398 -10.722 -8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.296 -11.708 -7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.718 -11.014 -7.149 1.00 0.00 H new ATOM 28 N LEU A 6 1.556 -8.115 -6.418 1.00 0.00 N ATOM 29 CA LEU A 6 0.678 -6.983 -6.583 1.00 0.00 C ATOM 30 C LEU A 6 1.470 -5.700 -6.338 1.00 0.00 C ATOM 31 O LEU A 6 1.309 -4.717 -7.065 1.00 0.00 O ATOM 32 CB LEU A 6 -0.503 -7.173 -5.635 1.00 0.00 C ATOM 33 CG LEU A 6 -1.466 -8.284 -6.081 1.00 0.00 C ATOM 34 CD1 LEU A 6 -2.578 -8.397 -5.039 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.102 -8.018 -7.452 1.00 0.00 C ATOM 0 H LEU A 6 1.437 -8.648 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 6 0.279 -6.904 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.127 -7.406 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.052 -6.235 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.889 -9.205 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.275 -9.181 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.145 -8.643 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.108 -7.447 -4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.771 -8.840 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.668 -7.087 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.320 -7.938 -8.207 1.00 0.00 H new ATOM 36 N TYR A 7 2.388 -5.731 -5.361 1.00 0.00 N ATOM 37 CA TYR A 7 3.149 -4.549 -5.019 1.00 0.00 C ATOM 38 C TYR A 7 4.029 -4.018 -6.160 1.00 0.00 C ATOM 39 O TYR A 7 4.408 -2.847 -6.125 1.00 0.00 O ATOM 40 CB TYR A 7 3.921 -4.790 -3.715 1.00 0.00 C ATOM 41 CG TYR A 7 4.056 -3.528 -2.880 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.902 -2.795 -2.540 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.314 -3.047 -2.481 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.009 -1.519 -1.980 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.415 -1.783 -1.875 1.00 0.00 C ATOM 46 CZ TYR A 7 4.276 -0.976 -1.732 1.00 0.00 C ATOM 47 OH TYR A 7 4.399 0.303 -1.287 1.00 0.00 O ATOM 0 H TYR A 7 2.611 -6.558 -4.807 1.00 0.00 H new ATOM 0 HA TYR A 7 2.439 -3.739 -4.852 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.411 -5.556 -3.131 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.913 -5.175 -3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.926 -3.223 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.199 -3.645 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.120 -0.955 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.372 -1.432 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 7 3.646 0.837 -1.615 1.00 0.00 H new ATOM 48 N LYS A 8 4.328 -4.823 -7.190 1.00 0.00 N ATOM 49 CA LYS A 8 5.129 -4.359 -8.323 1.00 0.00 C ATOM 50 C LYS A 8 4.566 -3.055 -8.907 1.00 0.00 C ATOM 51 O LYS A 8 5.323 -2.162 -9.280 1.00 0.00 O ATOM 52 CB LYS A 8 5.175 -5.432 -9.421 1.00 0.00 C ATOM 53 CG LYS A 8 5.780 -6.772 -8.981 1.00 0.00 C ATOM 54 CD LYS A 8 7.174 -6.723 -8.334 1.00 0.00 C ATOM 55 CE LYS A 8 8.294 -6.264 -9.280 1.00 0.00 C ATOM 56 NZ LYS A 8 8.372 -4.797 -9.400 1.00 0.00 N ATOM 0 H LYS A 8 4.026 -5.795 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 8 6.138 -4.169 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.162 -5.607 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.751 -5.047 -10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.094 -7.239 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.833 -7.424 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.140 -6.051 -7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.420 -7.714 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.249 -6.646 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.131 -6.697 -10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.341 -4.521 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.714 -4.474 -10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.116 -4.360 -8.492 1.00 0.00 H new ATOM 57 N SER A 9 3.237 -2.932 -8.971 1.00 0.00 N ATOM 58 CA SER A 9 2.578 -1.743 -9.508 1.00 0.00 C ATOM 59 C SER A 9 2.802 -0.499 -8.640 1.00 0.00 C ATOM 60 O SER A 9 2.810 0.626 -9.132 1.00 0.00 O ATOM 61 CB SER A 9 1.071 -2.015 -9.607 1.00 0.00 C ATOM 62 OG SER A 9 0.510 -2.365 -8.353 1.00 0.00 O ATOM 0 H SER A 9 2.591 -3.654 -8.652 1.00 0.00 H new ATOM 0 HA SER A 9 3.012 -1.541 -10.487 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.568 -1.129 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.894 -2.820 -10.320 1.00 0.00 H new ATOM 0 HG SER A 9 0.785 -3.275 -8.114 1.00 0.00 H new ATOM 63 N CYS A 10 2.981 -0.715 -7.340 1.00 0.00 N ATOM 64 CA CYS A 10 3.122 0.289 -6.303 1.00 0.00 C ATOM 65 C CYS A 10 4.564 0.759 -6.230 1.00 0.00 C ATOM 66 O CYS A 10 4.846 1.935 -5.979 1.00 0.00 O ATOM 67 CB CYS A 10 2.687 -0.361 -4.988 1.00 0.00 C ATOM 68 SG CYS A 10 1.253 -1.478 -5.116 1.00 0.00 S ATOM 0 H CYS A 10 3.034 -1.661 -6.963 1.00 0.00 H new ATOM 0 HA CYS A 10 2.506 1.164 -6.512 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.529 -0.921 -4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.452 0.426 -4.272 1.00 0.00 H new ATOM 0 HG CYS A 10 1.242 -2.289 -4.100 1.00 0.00 H new ATOM 69 N ILE A 11 5.471 -0.190 -6.476 1.00 0.00 N ATOM 70 CA ILE A 11 6.907 0.015 -6.494 1.00 0.00 C ATOM 71 C ILE A 11 7.258 1.241 -7.348 1.00 0.00 C ATOM 72 O ILE A 11 8.220 1.939 -7.044 1.00 0.00 O ATOM 73 CB ILE A 11 7.591 -1.300 -6.946 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.541 -1.823 -5.860 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.390 -1.153 -8.251 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.827 -2.248 -4.571 1.00 0.00 C ATOM 0 H ILE A 11 5.207 -1.155 -6.674 1.00 0.00 H new ATOM 0 HA ILE A 11 7.288 0.243 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 11 6.777 -2.004 -7.121 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.097 -2.673 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.270 -1.048 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.843 -2.110 -8.510 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.722 -0.838 -9.053 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.172 -0.406 -8.116 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.561 -2.606 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.293 -1.395 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.118 -3.045 -4.794 1.00 0.00 H new ATOM 77 N GLY A 12 6.474 1.524 -8.395 1.00 0.00 N ATOM 78 CA GLY A 12 6.678 2.679 -9.254 1.00 0.00 C ATOM 79 C GLY A 12 6.776 3.986 -8.456 1.00 0.00 C ATOM 80 O GLY A 12 7.605 4.833 -8.778 1.00 0.00 O ATOM 0 H GLY A 12 5.676 0.949 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.590 2.541 -9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.855 2.750 -9.965 1.00 0.00 H new ATOM 81 N CYS A 13 5.936 4.156 -7.425 1.00 0.00 N ATOM 82 CA CYS A 13 5.936 5.357 -6.589 1.00 0.00 C ATOM 83 C CYS A 13 6.722 5.118 -5.301 1.00 0.00 C ATOM 84 O CYS A 13 7.539 5.947 -4.910 1.00 0.00 O ATOM 85 CB CYS A 13 4.508 5.777 -6.205 1.00 0.00 C ATOM 86 SG CYS A 13 3.585 6.757 -7.420 1.00 0.00 S ATOM 0 H CYS A 13 5.239 3.463 -7.150 1.00 0.00 H new ATOM 0 HA CYS A 13 6.402 6.149 -7.176 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.935 4.875 -5.992 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.560 6.348 -5.278 1.00 0.00 H new ATOM 0 HG CYS A 13 2.403 7.029 -6.951 1.00 0.00 H new ATOM 87 N HIS A 14 6.459 3.993 -4.633 1.00 0.00 N ATOM 88 CA HIS A 14 7.062 3.667 -3.343 1.00 0.00 C ATOM 89 C HIS A 14 8.534 3.242 -3.412 1.00 0.00 C ATOM 90 O HIS A 14 9.251 3.351 -2.415 1.00 0.00 O ATOM 91 CB HIS A 14 6.187 2.592 -2.694 1.00 0.00 C ATOM 92 CG HIS A 14 4.856 3.152 -2.269 1.00 0.00 C ATOM 93 ND1 HIS A 14 3.585 3.061 -2.788 1.00 0.00 N flip ATOM 94 CD2 HIS A 14 4.741 3.977 -1.163 1.00 0.00 C flip ATOM 95 CE1 HIS A 14 2.686 3.776 -2.002 1.00 0.00 C flip ATOM 96 NE2 HIS A 14 3.462 4.368 -1.091 1.00 0.00 N flip ATOM 0 H HIS A 14 5.817 3.279 -4.976 1.00 0.00 H new ATOM 0 HA HIS A 14 7.092 4.574 -2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.032 1.774 -3.397 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.702 2.175 -1.828 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.535 4.254 -0.485 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.613 3.837 -2.105 1.00 0.00 H new ATOM 0 HE2 HIS A 14 3.117 5.046 -0.412 1.00 0.00 H new ATOM 97 N GLY A 15 9.001 2.775 -4.570 1.00 0.00 N ATOM 98 CA GLY A 15 10.371 2.329 -4.747 1.00 0.00 C ATOM 99 C GLY A 15 10.543 0.891 -4.272 1.00 0.00 C ATOM 100 O GLY A 15 9.821 0.438 -3.381 1.00 0.00 O ATOM 0 H GLY A 15 8.431 2.698 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.649 2.404 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.044 2.982 -4.192 1.00 0.00 H new ATOM 101 N ALA A 16 11.494 0.149 -4.853 1.00 0.00 N ATOM 102 CA ALA A 16 11.806 -1.223 -4.446 1.00 0.00 C ATOM 103 C ALA A 16 12.703 -1.113 -3.221 1.00 0.00 C ATOM 104 O ALA A 16 13.874 -1.484 -3.216 1.00 0.00 O ATOM 105 CB ALA A 16 12.486 -1.963 -5.584 1.00 0.00 C ATOM 0 H ALA A 16 12.071 0.487 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 16 10.908 -1.791 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.714 -2.982 -5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.823 -1.989 -6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.410 -1.450 -5.851 1.00 0.00 H new ATOM 106 N ASP A 17 12.072 -0.555 -2.200 1.00 0.00 N ATOM 107 CA ASP A 17 12.565 -0.168 -0.907 1.00 0.00 C ATOM 108 C ASP A 17 11.468 0.456 -0.039 1.00 0.00 C ATOM 109 O ASP A 17 11.680 0.605 1.160 1.00 0.00 O ATOM 110 CB ASP A 17 13.688 0.854 -1.122 1.00 0.00 C ATOM 111 CG ASP A 17 13.242 2.030 -1.999 1.00 0.00 C ATOM 112 OD1 ASP A 17 12.519 2.900 -1.470 1.00 0.00 O ATOM 113 OD2 ASP A 17 13.591 2.024 -3.200 1.00 0.00 O ATOM 0 H ASP A 17 11.078 -0.340 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 17 12.925 -1.055 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.024 1.231 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.542 0.360 -1.586 1.00 0.00 H new ATOM 114 N GLY A 18 10.337 0.889 -0.618 1.00 0.00 N ATOM 115 CA GLY A 18 9.233 1.499 0.114 1.00 0.00 C ATOM 116 C GLY A 18 9.639 2.722 0.927 1.00 0.00 C ATOM 117 O GLY A 18 8.928 3.109 1.856 1.00 0.00 O ATOM 0 H GLY A 18 10.169 0.821 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.454 1.786 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.798 0.757 0.783 1.00 0.00 H new ATOM 118 N SER A 19 10.781 3.311 0.577 1.00 0.00 N ATOM 119 CA SER A 19 11.370 4.460 1.226 1.00 0.00 C ATOM 120 C SER A 19 11.165 5.704 0.369 1.00 0.00 C ATOM 121 O SER A 19 11.293 6.810 0.890 1.00 0.00 O ATOM 122 CB SER A 19 12.856 4.184 1.466 1.00 0.00 C ATOM 123 OG SER A 19 13.010 2.958 2.157 1.00 0.00 O ATOM 0 H SER A 19 11.341 2.976 -0.207 1.00 0.00 H new ATOM 0 HA SER A 19 10.888 4.639 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.386 4.145 0.515 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.297 4.996 2.044 1.00 0.00 H new ATOM 0 HG SER A 19 12.636 2.230 1.618 1.00 0.00 H new ATOM 124 N LYS A 20 10.882 5.557 -0.936 1.00 0.00 N ATOM 125 CA LYS A 20 10.627 6.734 -1.745 1.00 0.00 C ATOM 126 C LYS A 20 9.314 7.316 -1.232 1.00 0.00 C ATOM 127 O LYS A 20 8.264 6.682 -1.348 1.00 0.00 O ATOM 128 CB LYS A 20 10.540 6.393 -3.236 1.00 0.00 C ATOM 129 CG LYS A 20 11.846 5.794 -3.769 1.00 0.00 C ATOM 130 CD LYS A 20 11.714 5.557 -5.278 1.00 0.00 C ATOM 131 CE LYS A 20 12.935 4.802 -5.814 1.00 0.00 C ATOM 132 NZ LYS A 20 12.779 4.486 -7.244 1.00 0.00 N ATOM 0 H LYS A 20 10.828 4.665 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 20 11.443 7.451 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.725 5.687 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.299 7.294 -3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.678 6.468 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.064 4.856 -3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.808 4.987 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.615 6.512 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.832 5.404 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.074 3.881 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.620 3.975 -7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.936 3.892 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.671 5.368 -7.785 1.00 0.00 H new ATOM 133 N ALA A 21 9.382 8.495 -0.609 1.00 0.00 N ATOM 134 CA ALA A 21 8.214 9.158 -0.065 1.00 0.00 C ATOM 135 C ALA A 21 7.331 9.584 -1.235 1.00 0.00 C ATOM 136 O ALA A 21 7.433 10.698 -1.738 1.00 0.00 O ATOM 137 CB ALA A 21 8.654 10.324 0.826 1.00 0.00 C ATOM 0 H ALA A 21 10.252 9.010 -0.472 1.00 0.00 H new ATOM 0 HA ALA A 21 7.628 8.495 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.775 10.822 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.269 9.946 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.232 11.035 0.236 1.00 0.00 H new ATOM 138 N ALA A 22 6.481 8.655 -1.673 1.00 0.00 N ATOM 139 CA ALA A 22 5.598 8.800 -2.810 1.00 0.00 C ATOM 140 C ALA A 22 4.895 10.153 -2.868 1.00 0.00 C ATOM 141 O ALA A 22 4.299 10.564 -1.876 1.00 0.00 O ATOM 142 CB ALA A 22 4.583 7.658 -2.807 1.00 0.00 C ATOM 0 H ALA A 22 6.392 7.746 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 22 6.214 8.753 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.915 7.763 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.108 6.705 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.001 7.691 -1.886 1.00 0.00 H new ATOM 143 N MET A 23 4.969 10.783 -4.051 1.00 0.00 N ATOM 144 CA MET A 23 4.419 12.065 -4.488 1.00 0.00 C ATOM 145 C MET A 23 4.150 13.068 -3.362 1.00 0.00 C ATOM 146 O MET A 23 4.919 14.007 -3.182 1.00 0.00 O ATOM 147 CB MET A 23 3.153 11.811 -5.322 1.00 0.00 C ATOM 148 CG MET A 23 3.429 10.973 -6.577 1.00 0.00 C ATOM 149 SD MET A 23 4.670 11.627 -7.721 1.00 0.00 S ATOM 150 CE MET A 23 4.714 10.281 -8.924 1.00 0.00 C ATOM 0 H MET A 23 5.482 10.345 -4.816 1.00 0.00 H new ATOM 0 HA MET A 23 5.188 12.543 -5.095 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.413 11.301 -4.705 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.719 12.767 -5.616 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.745 9.978 -6.262 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.492 10.853 -7.121 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.433 10.517 -9.708 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.010 9.358 -8.426 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.725 10.154 -9.365 1.00 0.00 H new ATOM 151 N GLY A 24 3.033 12.909 -2.648 1.00 0.00 N ATOM 152 CA GLY A 24 2.661 13.788 -1.550 1.00 0.00 C ATOM 153 C GLY A 24 3.788 13.917 -0.528 1.00 0.00 C ATOM 154 O GLY A 24 4.048 15.007 -0.025 1.00 0.00 O ATOM 0 H GLY A 24 2.361 12.161 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.409 14.774 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.767 13.401 -1.060 1.00 0.00 H new ATOM 155 N SER A 25 4.437 12.781 -0.262 1.00 0.00 N ATOM 156 CA SER A 25 5.556 12.489 0.623 1.00 0.00 C ATOM 157 C SER A 25 5.137 11.336 1.534 1.00 0.00 C ATOM 158 O SER A 25 5.058 11.531 2.748 1.00 0.00 O ATOM 159 CB SER A 25 6.032 13.692 1.456 1.00 0.00 C ATOM 160 OG SER A 25 6.596 14.689 0.629 1.00 0.00 O ATOM 0 H SER A 25 4.142 11.926 -0.734 1.00 0.00 H new ATOM 0 HA SER A 25 6.413 12.223 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.192 14.108 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.769 13.363 2.189 1.00 0.00 H new ATOM 0 HG SER A 25 5.881 15.165 0.157 1.00 0.00 H new ATOM 161 N ALA A 26 4.851 10.142 0.985 1.00 0.00 N ATOM 162 CA ALA A 26 4.461 9.039 1.845 1.00 0.00 C ATOM 163 C ALA A 26 5.487 8.758 2.937 1.00 0.00 C ATOM 164 O ALA A 26 6.674 8.604 2.664 1.00 0.00 O ATOM 165 CB ALA A 26 4.251 7.771 1.016 1.00 0.00 C ATOM 0 H ALA A 26 4.883 9.931 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 26 3.530 9.333 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.959 6.951 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.466 7.944 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.178 7.513 0.504 1.00 0.00 H new ATOM 166 N LYS A 27 5.028 8.693 4.186 1.00 0.00 N ATOM 167 CA LYS A 27 5.900 8.360 5.296 1.00 0.00 C ATOM 168 C LYS A 27 6.332 6.916 5.002 1.00 0.00 C ATOM 169 O LYS A 27 5.441 6.078 4.849 1.00 0.00 O ATOM 170 CB LYS A 27 5.151 8.517 6.629 1.00 0.00 C ATOM 171 CG LYS A 27 4.362 9.836 6.730 1.00 0.00 C ATOM 172 CD LYS A 27 5.220 11.082 6.451 1.00 0.00 C ATOM 173 CE LYS A 27 4.368 12.354 6.366 1.00 0.00 C ATOM 174 NZ LYS A 27 3.528 12.364 5.153 1.00 0.00 N ATOM 0 H LYS A 27 4.058 8.867 4.448 1.00 0.00 H new ATOM 0 HA LYS A 27 6.767 9.014 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.464 7.680 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.867 8.466 7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.532 9.810 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.930 9.917 7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.964 11.195 7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.765 10.946 5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.734 12.428 7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.018 13.229 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.177 13.328 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.092 12.050 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.721 11.721 5.284 1.00 0.00 H new ATOM 175 N PRO A 28 7.646 6.644 4.855 1.00 0.00 N ATOM 176 CA PRO A 28 8.223 5.357 4.493 1.00 0.00 C ATOM 177 C PRO A 28 7.312 4.153 4.717 1.00 0.00 C ATOM 178 O PRO A 28 7.207 3.646 5.831 1.00 0.00 O ATOM 179 CB PRO A 28 9.529 5.281 5.277 1.00 0.00 C ATOM 180 CG PRO A 28 10.022 6.722 5.142 1.00 0.00 C ATOM 181 CD PRO A 28 8.732 7.545 5.221 1.00 0.00 C ATOM 0 HA PRO A 28 8.385 5.303 3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.372 4.993 6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.228 4.562 4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.717 6.986 5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.544 6.882 4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.585 7.942 6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.774 8.398 4.544 1.00 0.00 H new ATOM 182 N VAL A 29 6.650 3.706 3.641 1.00 0.00 N ATOM 183 CA VAL A 29 5.764 2.550 3.664 1.00 0.00 C ATOM 184 C VAL A 29 6.584 1.344 4.174 1.00 0.00 C ATOM 185 O VAL A 29 6.024 0.423 4.766 1.00 0.00 O ATOM 186 CB VAL A 29 5.173 2.318 2.257 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.781 0.860 2.010 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.887 3.135 2.085 1.00 0.00 C ATOM 0 H VAL A 29 6.720 4.146 2.724 1.00 0.00 H new ATOM 0 HA VAL A 29 4.917 2.704 4.333 1.00 0.00 H new ATOM 0 HB VAL A 29 5.954 2.614 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.372 0.759 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.661 0.225 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.030 0.556 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.478 2.964 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.158 2.828 2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.110 4.195 2.209 1.00 0.00 H new ATOM 189 N LYS A 30 7.901 1.330 3.906 1.00 0.00 N ATOM 190 CA LYS A 30 8.867 0.322 4.332 1.00 0.00 C ATOM 191 C LYS A 30 8.695 -0.122 5.785 1.00 0.00 C ATOM 192 O LYS A 30 9.282 0.408 6.726 1.00 0.00 O ATOM 193 CB LYS A 30 10.283 0.862 4.162 1.00 0.00 C ATOM 194 CG LYS A 30 11.371 -0.202 4.405 1.00 0.00 C ATOM 195 CD LYS A 30 12.768 0.429 4.376 1.00 0.00 C ATOM 196 CE LYS A 30 13.852 -0.558 4.826 1.00 0.00 C ATOM 197 NZ LYS A 30 13.913 -1.750 3.961 1.00 0.00 N ATOM 0 H LYS A 30 8.338 2.068 3.354 1.00 0.00 H new ATOM 0 HA LYS A 30 8.689 -0.549 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.394 1.262 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.434 1.691 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.205 -0.684 5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.302 -0.979 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.989 0.775 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.784 1.305 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.821 -0.058 4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.657 -0.866 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.810 -2.250 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.119 -2.383 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.853 -1.459 2.964 1.00 0.00 H new ATOM 198 N GLY A 31 7.896 -1.158 5.922 1.00 0.00 N ATOM 199 CA GLY A 31 7.603 -1.802 7.180 1.00 0.00 C ATOM 200 C GLY A 31 6.780 -0.884 8.060 1.00 0.00 C ATOM 201 O GLY A 31 7.031 -0.802 9.259 1.00 0.00 O ATOM 0 H GLY A 31 7.417 -1.589 5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.060 -2.731 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.531 -2.066 7.686 1.00 0.00 H new ATOM 202 N GLN A 32 5.789 -0.204 7.463 1.00 0.00 N ATOM 203 CA GLN A 32 4.912 0.684 8.217 1.00 0.00 C ATOM 204 C GLN A 32 4.345 -0.124 9.404 1.00 0.00 C ATOM 205 O GLN A 32 4.247 0.360 10.528 1.00 0.00 O ATOM 206 CB GLN A 32 3.833 1.315 7.314 1.00 0.00 C ATOM 207 CG GLN A 32 3.991 2.846 7.119 1.00 0.00 C ATOM 208 CD GLN A 32 2.900 3.441 6.212 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.766 2.982 6.296 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.184 4.428 5.343 1.00 0.00 N ATOM 0 H GLN A 32 5.581 -0.256 6.466 1.00 0.00 H new ATOM 0 HA GLN A 32 5.462 1.538 8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.861 0.830 6.338 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.851 1.113 7.742 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.959 3.338 8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.970 3.055 6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.132 4.799 5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.451 4.805 4.742 1.00 0.00 H new ATOM 211 N GLY A 33 3.984 -1.377 9.113 1.00 0.00 N ATOM 212 CA GLY A 33 3.547 -2.408 10.043 1.00 0.00 C ATOM 213 C GLY A 33 3.395 -3.721 9.265 1.00 0.00 C ATOM 214 O GLY A 33 4.373 -4.316 8.818 1.00 0.00 O ATOM 0 H GLY A 33 3.992 -1.716 8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.272 -2.525 10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.600 -2.127 10.504 1.00 0.00 H new ATOM 215 N ALA A 34 2.138 -4.118 9.074 1.00 0.00 N ATOM 216 CA ALA A 34 1.583 -5.262 8.344 1.00 0.00 C ATOM 217 C ALA A 34 0.110 -5.163 8.686 1.00 0.00 C ATOM 218 O ALA A 34 -0.715 -4.967 7.806 1.00 0.00 O ATOM 219 CB ALA A 34 2.162 -6.635 8.692 1.00 0.00 C ATOM 0 H ALA A 34 1.381 -3.571 9.483 1.00 0.00 H new ATOM 0 HA ALA A 34 1.823 -5.204 7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.673 -7.400 8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.233 -6.641 8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.993 -6.844 9.748 1.00 0.00 H new ATOM 220 N GLU A 35 -0.200 -5.198 9.987 1.00 0.00 N ATOM 221 CA GLU A 35 -1.558 -4.968 10.451 1.00 0.00 C ATOM 222 C GLU A 35 -1.887 -3.517 10.077 1.00 0.00 C ATOM 223 O GLU A 35 -2.971 -3.234 9.583 1.00 0.00 O ATOM 224 CB GLU A 35 -1.652 -5.223 11.963 1.00 0.00 C ATOM 225 CG GLU A 35 -3.059 -4.950 12.520 1.00 0.00 C ATOM 226 CD GLU A 35 -4.147 -5.767 11.825 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.928 -6.987 11.665 1.00 0.00 O ATOM 228 OE2 GLU A 35 -5.177 -5.156 11.468 1.00 0.00 O ATOM 0 H GLU A 35 0.474 -5.383 10.729 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.277 -5.646 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.376 -6.257 12.172 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.931 -4.590 12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.071 -5.173 13.587 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.286 -3.889 12.414 1.00 0.00 H new ATOM 229 N GLU A 36 -0.918 -2.610 10.286 1.00 0.00 N ATOM 230 CA GLU A 36 -1.043 -1.201 9.942 1.00 0.00 C ATOM 231 C GLU A 36 -1.347 -1.100 8.445 1.00 0.00 C ATOM 232 O GLU A 36 -2.430 -0.688 8.049 1.00 0.00 O ATOM 233 CB GLU A 36 0.264 -0.457 10.298 1.00 0.00 C ATOM 234 CG GLU A 36 0.061 1.062 10.377 1.00 0.00 C ATOM 235 CD GLU A 36 -0.860 1.458 11.528 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.390 1.382 12.683 1.00 0.00 O ATOM 237 OE2 GLU A 36 -2.021 1.815 11.231 1.00 0.00 O ATOM 0 H GLU A 36 -0.018 -2.847 10.704 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.852 -0.737 10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.640 -0.822 11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.024 -0.682 9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.027 1.551 10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.359 1.421 9.437 1.00 0.00 H new ATOM 238 N LEU A 37 -0.377 -1.511 7.623 1.00 0.00 N ATOM 239 CA LEU A 37 -0.446 -1.527 6.168 1.00 0.00 C ATOM 240 C LEU A 37 -1.794 -2.088 5.688 1.00 0.00 C ATOM 241 O LEU A 37 -2.454 -1.510 4.828 1.00 0.00 O ATOM 242 CB LEU A 37 0.731 -2.380 5.670 1.00 0.00 C ATOM 243 CG LEU A 37 2.097 -1.700 5.895 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.246 -2.711 5.897 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.367 -0.720 4.761 1.00 0.00 C ATOM 0 H LEU A 37 0.516 -1.856 7.975 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.375 -0.517 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.720 -3.342 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.602 -2.584 4.607 1.00 0.00 H new ATOM 0 HG LEU A 37 2.051 -1.201 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.189 -2.189 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.091 -3.436 6.696 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.277 -3.228 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.332 -0.238 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.379 -1.256 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.583 0.037 4.740 1.00 0.00 H new ATOM 246 N TYR A 38 -2.209 -3.218 6.257 1.00 0.00 N ATOM 247 CA TYR A 38 -3.460 -3.881 5.936 1.00 0.00 C ATOM 248 C TYR A 38 -4.655 -3.006 6.278 1.00 0.00 C ATOM 249 O TYR A 38 -5.511 -2.796 5.428 1.00 0.00 O ATOM 250 CB TYR A 38 -3.537 -5.188 6.718 1.00 0.00 C ATOM 251 CG TYR A 38 -4.897 -5.858 6.716 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.407 -6.447 5.543 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.708 -5.765 7.862 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.713 -6.971 5.531 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.015 -6.272 7.843 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.516 -6.881 6.683 1.00 0.00 C ATOM 257 OH TYR A 38 -8.798 -7.340 6.687 1.00 0.00 O ATOM 0 H TYR A 38 -1.668 -3.706 6.971 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.488 -4.077 4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.806 -5.884 6.306 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.246 -4.994 7.750 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.796 -6.497 4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.323 -5.302 8.758 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.099 -7.442 4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.637 -6.194 8.723 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.006 -7.736 5.815 1.00 0.00 H new ATOM 258 N LYS A 39 -4.739 -2.523 7.517 1.00 0.00 N ATOM 259 CA LYS A 39 -5.839 -1.685 7.963 1.00 0.00 C ATOM 260 C LYS A 39 -5.919 -0.437 7.083 1.00 0.00 C ATOM 261 O LYS A 39 -7.005 0.002 6.704 1.00 0.00 O ATOM 262 CB LYS A 39 -5.614 -1.329 9.439 1.00 0.00 C ATOM 263 CG LYS A 39 -6.765 -0.505 10.029 1.00 0.00 C ATOM 264 CD LYS A 39 -6.488 -0.230 11.513 1.00 0.00 C ATOM 265 CE LYS A 39 -7.621 0.568 12.169 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.758 1.915 11.585 1.00 0.00 N ATOM 0 H LYS A 39 -4.041 -2.705 8.238 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.789 -2.211 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.496 -2.246 10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.684 -0.769 9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.869 0.435 9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.706 -1.043 9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.358 -1.176 12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.552 0.320 11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.560 0.026 12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.431 0.654 13.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.440 2.468 12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.834 2.393 11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.097 1.836 10.605 1.00 0.00 H new ATOM 267 N LYS A 40 -4.759 0.123 6.742 1.00 0.00 N ATOM 268 CA LYS A 40 -4.650 1.309 5.931 1.00 0.00 C ATOM 269 C LYS A 40 -5.222 1.027 4.540 1.00 0.00 C ATOM 270 O LYS A 40 -6.101 1.744 4.059 1.00 0.00 O ATOM 271 CB LYS A 40 -3.167 1.676 5.901 1.00 0.00 C ATOM 272 CG LYS A 40 -2.634 2.231 7.231 1.00 0.00 C ATOM 273 CD LYS A 40 -2.976 3.710 7.416 1.00 0.00 C ATOM 274 CE LYS A 40 -2.335 4.252 8.698 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.689 5.664 8.916 1.00 0.00 N ATOM 0 H LYS A 40 -3.857 -0.252 7.034 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.220 2.148 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.590 0.792 5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.002 2.416 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.053 1.656 8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.552 2.102 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.624 4.281 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.058 3.836 7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.662 3.657 9.551 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.251 4.152 8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.890 6.157 9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.905 6.113 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.523 5.721 9.535 1.00 0.00 H new ATOM 276 N MET A 41 -4.744 -0.040 3.894 1.00 0.00 N ATOM 277 CA MET A 41 -5.240 -0.401 2.580 1.00 0.00 C ATOM 278 C MET A 41 -6.705 -0.795 2.640 1.00 0.00 C ATOM 279 O MET A 41 -7.419 -0.510 1.693 1.00 0.00 O ATOM 280 CB MET A 41 -4.440 -1.542 1.984 1.00 0.00 C ATOM 281 CG MET A 41 -3.073 -1.061 1.514 1.00 0.00 C ATOM 282 SD MET A 41 -2.202 -2.307 0.552 1.00 0.00 S ATOM 283 CE MET A 41 -2.151 -3.595 1.805 1.00 0.00 C ATOM 0 H MET A 41 -4.021 -0.658 4.262 1.00 0.00 H new ATOM 0 HA MET A 41 -5.131 0.478 1.944 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.317 -2.331 2.726 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.986 -1.975 1.145 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.195 -0.160 0.912 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.470 -0.787 2.380 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.299 -4.249 1.620 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.052 -3.140 2.791 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.071 -4.178 1.766 1.00 0.00 H new ATOM 284 N LYS A 42 -7.165 -1.469 3.695 1.00 0.00 N ATOM 285 CA LYS A 42 -8.570 -1.824 3.823 1.00 0.00 C ATOM 286 C LYS A 42 -9.354 -0.512 3.830 1.00 0.00 C ATOM 287 O LYS A 42 -10.370 -0.376 3.153 1.00 0.00 O ATOM 288 CB LYS A 42 -8.802 -2.656 5.091 1.00 0.00 C ATOM 289 CG LYS A 42 -10.249 -3.160 5.133 1.00 0.00 C ATOM 290 CD LYS A 42 -10.486 -4.049 6.358 1.00 0.00 C ATOM 291 CE LYS A 42 -11.879 -4.689 6.313 1.00 0.00 C ATOM 292 NZ LYS A 42 -12.955 -3.681 6.299 1.00 0.00 N ATOM 0 H LYS A 42 -6.580 -1.778 4.472 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.906 -2.448 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.114 -3.501 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.593 -2.053 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.933 -2.311 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.469 -3.721 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.725 -4.828 6.398 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.384 -3.456 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.960 -5.317 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.005 -5.341 7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.878 -4.157 6.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.845 -3.044 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.902 -3.129 5.419 1.00 0.00 H new ATOM 293 N GLY A 43 -8.851 0.472 4.577 1.00 0.00 N ATOM 294 CA GLY A 43 -9.442 1.788 4.634 1.00 0.00 C ATOM 295 C GLY A 43 -9.566 2.372 3.227 1.00 0.00 C ATOM 296 O GLY A 43 -10.659 2.777 2.842 1.00 0.00 O ATOM 0 H GLY A 43 -8.019 0.367 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.425 1.733 5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.830 2.443 5.255 1.00 0.00 H new ATOM 297 N TYR A 44 -8.471 2.416 2.453 1.00 0.00 N ATOM 298 CA TYR A 44 -8.528 2.947 1.093 1.00 0.00 C ATOM 299 C TYR A 44 -9.492 2.110 0.242 1.00 0.00 C ATOM 300 O TYR A 44 -10.349 2.657 -0.443 1.00 0.00 O ATOM 301 CB TYR A 44 -7.126 2.968 0.467 1.00 0.00 C ATOM 302 CG TYR A 44 -6.177 4.026 1.004 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.516 5.389 0.911 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.886 3.665 1.439 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.604 6.370 1.332 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.967 4.653 1.831 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.341 6.005 1.814 1.00 0.00 C ATOM 308 OH TYR A 44 -3.500 6.968 2.276 1.00 0.00 O ATOM 0 H TYR A 44 -7.549 2.093 2.745 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.898 3.971 1.129 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.669 1.989 0.613 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.231 3.113 -0.608 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.478 5.680 0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.602 2.624 1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.879 7.413 1.284 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.973 4.372 2.145 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.487 6.949 3.256 1.00 0.00 H new ATOM 309 N ALA A 45 -9.374 0.783 0.314 1.00 0.00 N ATOM 310 CA ALA A 45 -10.191 -0.183 -0.408 1.00 0.00 C ATOM 311 C ALA A 45 -11.674 0.131 -0.192 1.00 0.00 C ATOM 312 O ALA A 45 -12.458 0.113 -1.138 1.00 0.00 O ATOM 313 CB ALA A 45 -9.898 -1.608 0.072 1.00 0.00 C ATOM 0 H ALA A 45 -8.673 0.336 0.905 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.949 -0.114 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.519 -2.313 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.847 -1.840 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.119 -1.686 1.136 1.00 0.00 H new ATOM 314 N ASP A 46 -12.043 0.440 1.058 1.00 0.00 N ATOM 315 CA ASP A 46 -13.416 0.743 1.450 1.00 0.00 C ATOM 316 C ASP A 46 -13.708 2.249 1.413 1.00 0.00 C ATOM 317 O ASP A 46 -14.768 2.669 1.871 1.00 0.00 O ATOM 318 CB ASP A 46 -13.661 0.199 2.869 1.00 0.00 C ATOM 319 CG ASP A 46 -13.482 -1.314 3.000 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.629 -2.013 1.974 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.218 -1.753 4.141 1.00 0.00 O ATOM 0 H ASP A 46 -11.382 0.486 1.834 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.087 0.266 0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.979 0.695 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.673 0.462 3.177 1.00 0.00 H new ATOM 322 N GLY A 47 -12.791 3.075 0.897 1.00 0.00 N ATOM 323 CA GLY A 47 -12.937 4.525 0.827 1.00 0.00 C ATOM 324 C GLY A 47 -13.257 5.148 2.190 1.00 0.00 C ATOM 325 O GLY A 47 -13.931 6.173 2.257 1.00 0.00 O ATOM 0 H GLY A 47 -11.908 2.742 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.017 4.961 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.730 4.774 0.122 1.00 0.00 H new ATOM 326 N SER A 48 -12.745 4.550 3.271 1.00 0.00 N ATOM 327 CA SER A 48 -12.963 4.961 4.650 1.00 0.00 C ATOM 328 C SER A 48 -11.649 5.358 5.331 1.00 0.00 C ATOM 329 O SER A 48 -11.484 5.128 6.529 1.00 0.00 O ATOM 330 CB SER A 48 -13.628 3.784 5.371 1.00 0.00 C ATOM 331 OG SER A 48 -14.026 4.160 6.674 1.00 0.00 O ATOM 0 H SER A 48 -12.142 3.731 3.199 1.00 0.00 H new ATOM 0 HA SER A 48 -13.602 5.843 4.686 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.495 3.446 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.935 2.945 5.425 1.00 0.00 H new ATOM 0 HG SER A 48 -13.287 4.623 7.121 1.00 0.00 H new ATOM 332 N TYR A 49 -10.716 5.942 4.579 1.00 0.00 N ATOM 333 CA TYR A 49 -9.414 6.392 5.044 1.00 0.00 C ATOM 334 C TYR A 49 -8.862 7.317 3.966 1.00 0.00 C ATOM 335 O TYR A 49 -9.392 7.337 2.854 1.00 0.00 O ATOM 336 CB TYR A 49 -8.510 5.178 5.288 1.00 0.00 C ATOM 337 CG TYR A 49 -7.075 5.486 5.667 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.787 6.281 6.793 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.027 5.044 4.841 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.475 6.737 7.013 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.711 5.454 5.100 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.447 6.374 6.127 1.00 0.00 C ATOM 343 OH TYR A 49 -3.177 6.823 6.339 1.00 0.00 O ATOM 0 H TYR A 49 -10.859 6.120 3.585 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.475 6.931 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.953 4.573 6.079 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.504 4.567 4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.573 6.540 7.487 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.235 4.389 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.258 7.366 7.863 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.898 5.061 4.508 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.587 6.480 5.636 1.00 0.00 H new ATOM 372 N LYS A 54 -5.011 10.054 -1.551 1.00 0.00 N ATOM 373 CA LYS A 54 -6.012 9.030 -1.270 1.00 0.00 C ATOM 374 C LYS A 54 -6.746 8.548 -2.519 1.00 0.00 C ATOM 375 O LYS A 54 -7.099 7.378 -2.596 1.00 0.00 O ATOM 376 CB LYS A 54 -7.042 9.525 -0.252 1.00 0.00 C ATOM 377 CG LYS A 54 -7.911 10.725 -0.661 1.00 0.00 C ATOM 378 CD LYS A 54 -9.315 10.303 -1.127 1.00 0.00 C ATOM 379 CE LYS A 54 -10.200 9.847 0.045 1.00 0.00 C ATOM 380 NZ LYS A 54 -11.530 9.421 -0.421 1.00 0.00 N ATOM 0 HA LYS A 54 -5.456 8.187 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.705 8.694 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.513 9.787 0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.002 11.408 0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.415 11.273 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.793 11.138 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.228 9.493 -1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.716 9.024 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.307 10.662 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.103 9.119 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.001 10.215 -0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.427 8.627 -1.085 1.00 0.00 H new ATOM 381 N ALA A 55 -7.020 9.440 -3.476 1.00 0.00 N ATOM 382 CA ALA A 55 -7.727 9.081 -4.698 1.00 0.00 C ATOM 383 C ALA A 55 -6.925 8.039 -5.479 1.00 0.00 C ATOM 384 O ALA A 55 -7.435 6.965 -5.802 1.00 0.00 O ATOM 385 CB ALA A 55 -7.965 10.338 -5.539 1.00 0.00 C ATOM 0 H ALA A 55 -6.758 10.424 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.694 8.644 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.494 10.069 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.563 11.049 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.007 10.792 -5.794 1.00 0.00 H new ATOM 386 N MET A 56 -5.658 8.358 -5.758 1.00 0.00 N ATOM 387 CA MET A 56 -4.760 7.474 -6.483 1.00 0.00 C ATOM 388 C MET A 56 -4.637 6.166 -5.708 1.00 0.00 C ATOM 389 O MET A 56 -4.796 5.086 -6.273 1.00 0.00 O ATOM 390 CB MET A 56 -3.386 8.138 -6.656 1.00 0.00 C ATOM 391 CG MET A 56 -3.448 9.440 -7.465 1.00 0.00 C ATOM 392 SD MET A 56 -4.083 9.277 -9.154 1.00 0.00 S ATOM 393 CE MET A 56 -3.974 10.998 -9.690 1.00 0.00 C ATOM 0 H MET A 56 -5.231 9.242 -5.483 1.00 0.00 H new ATOM 0 HA MET A 56 -5.158 7.271 -7.477 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.963 8.347 -5.673 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.711 7.440 -7.152 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.074 10.152 -6.927 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.446 9.867 -7.511 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.328 11.082 -10.717 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.590 11.621 -9.042 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.938 11.331 -9.635 1.00 0.00 H new ATOM 394 N MET A 57 -4.390 6.273 -4.401 1.00 0.00 N ATOM 395 CA MET A 57 -4.254 5.112 -3.540 1.00 0.00 C ATOM 396 C MET A 57 -5.488 4.216 -3.626 1.00 0.00 C ATOM 397 O MET A 57 -5.382 3.014 -3.863 1.00 0.00 O ATOM 398 CB MET A 57 -3.988 5.578 -2.098 1.00 0.00 C ATOM 399 CG MET A 57 -2.487 5.571 -1.799 1.00 0.00 C ATOM 400 SD MET A 57 -1.669 3.981 -2.098 1.00 0.00 S ATOM 401 CE MET A 57 -2.613 2.839 -1.053 1.00 0.00 C ATOM 0 H MET A 57 -4.280 7.165 -3.918 1.00 0.00 H new ATOM 0 HA MET A 57 -3.407 4.513 -3.874 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.388 6.582 -1.955 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.507 4.924 -1.397 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.004 6.334 -2.409 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.335 5.853 -0.757 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.275 1.818 -1.232 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.459 3.093 -0.004 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.673 2.918 -1.293 1.00 0.00 H new ATOM 402 N THR A 58 -6.673 4.796 -3.454 1.00 0.00 N ATOM 403 CA THR A 58 -7.914 4.050 -3.535 1.00 0.00 C ATOM 404 C THR A 58 -7.984 3.369 -4.897 1.00 0.00 C ATOM 405 O THR A 58 -8.208 2.166 -4.956 1.00 0.00 O ATOM 406 CB THR A 58 -9.103 4.992 -3.290 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.005 5.525 -1.986 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.441 4.263 -3.425 1.00 0.00 C ATOM 0 H THR A 58 -6.794 5.789 -3.256 1.00 0.00 H new ATOM 0 HA THR A 58 -7.955 3.278 -2.766 1.00 0.00 H new ATOM 0 HB THR A 58 -9.068 5.782 -4.040 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.327 6.233 -1.972 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.257 4.963 -3.245 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.531 3.852 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.490 3.454 -2.696 1.00 0.00 H new ATOM 409 N ASN A 59 -7.750 4.103 -5.988 1.00 0.00 N ATOM 410 CA ASN A 59 -7.775 3.511 -7.322 1.00 0.00 C ATOM 411 C ASN A 59 -6.775 2.349 -7.408 1.00 0.00 C ATOM 412 O ASN A 59 -7.036 1.364 -8.096 1.00 0.00 O ATOM 413 CB ASN A 59 -7.451 4.584 -8.372 1.00 0.00 C ATOM 414 CG ASN A 59 -7.902 4.235 -9.793 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.311 5.120 -10.536 1.00 0.00 O ATOM 416 ND2 ASN A 59 -7.851 2.975 -10.217 1.00 0.00 N ATOM 0 H ASN A 59 -7.543 5.102 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.772 3.117 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.922 5.521 -8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.375 4.756 -8.377 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.153 2.743 -11.163 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.510 2.241 -9.596 1.00 0.00 H new ATOM 417 N ALA A 60 -5.630 2.463 -6.731 1.00 0.00 N ATOM 418 CA ALA A 60 -4.591 1.448 -6.746 1.00 0.00 C ATOM 419 C ALA A 60 -4.999 0.166 -6.009 1.00 0.00 C ATOM 420 O ALA A 60 -4.648 -0.915 -6.485 1.00 0.00 O ATOM 421 CB ALA A 60 -3.305 2.028 -6.143 1.00 0.00 C ATOM 0 H ALA A 60 -5.402 3.273 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.423 1.165 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.524 1.268 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.983 2.888 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.494 2.341 -5.116 1.00 0.00 H new ATOM 422 N VAL A 61 -5.712 0.254 -4.873 1.00 0.00 N ATOM 423 CA VAL A 61 -6.058 -0.947 -4.099 1.00 0.00 C ATOM 424 C VAL A 61 -7.476 -1.465 -4.373 1.00 0.00 C ATOM 425 O VAL A 61 -7.691 -2.678 -4.318 1.00 0.00 O ATOM 426 CB VAL A 61 -5.897 -0.696 -2.583 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.680 0.133 -2.185 1.00 0.00 C ATOM 428 CG2 VAL A 61 -7.110 -0.123 -1.870 1.00 0.00 C ATOM 0 H VAL A 61 -6.054 1.129 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.359 -1.715 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.755 -1.722 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.659 0.251 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.772 -0.373 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.738 1.114 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.881 0.011 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.369 0.840 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.951 -0.808 -1.975 1.00 0.00 H new ATOM 429 N LYS A 62 -8.442 -0.567 -4.618 1.00 0.00 N ATOM 430 CA LYS A 62 -9.860 -0.856 -4.834 1.00 0.00 C ATOM 431 C LYS A 62 -10.070 -1.602 -6.154 1.00 0.00 C ATOM 432 O LYS A 62 -10.603 -1.081 -7.131 1.00 0.00 O ATOM 433 CB LYS A 62 -10.659 0.456 -4.759 1.00 0.00 C ATOM 434 CG LYS A 62 -12.163 0.210 -4.583 1.00 0.00 C ATOM 435 CD LYS A 62 -12.911 1.549 -4.545 1.00 0.00 C ATOM 436 CE LYS A 62 -14.387 1.357 -4.180 1.00 0.00 C ATOM 437 NZ LYS A 62 -14.561 1.105 -2.738 1.00 0.00 N ATOM 0 H LYS A 62 -8.240 0.431 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.228 -1.519 -4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.291 1.056 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.491 1.034 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.538 -0.403 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.344 -0.344 -3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.439 2.211 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.836 2.037 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.951 2.245 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.797 0.522 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.324 0.413 -2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.676 0.730 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.806 1.994 -2.257 1.00 0.00 H new ATOM 438 N LYS A 63 -9.631 -2.853 -6.133 1.00 0.00 N ATOM 439 CA LYS A 63 -9.641 -3.843 -7.179 1.00 0.00 C ATOM 440 C LYS A 63 -9.259 -5.191 -6.554 1.00 0.00 C ATOM 441 O LYS A 63 -9.768 -6.226 -6.978 1.00 0.00 O ATOM 442 CB LYS A 63 -8.681 -3.432 -8.301 1.00 0.00 C ATOM 443 CG LYS A 63 -7.398 -2.715 -7.849 1.00 0.00 C ATOM 444 CD LYS A 63 -6.428 -2.505 -9.019 1.00 0.00 C ATOM 445 CE LYS A 63 -7.026 -1.625 -10.122 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.001 -1.233 -11.105 1.00 0.00 N ATOM 0 H LYS A 63 -9.214 -3.232 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.630 -3.929 -7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.399 -4.325 -8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.216 -2.780 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.654 -1.751 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.909 -3.300 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.511 -2.047 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.154 -3.473 -9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.829 -2.163 -10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.469 -0.733 -9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.434 -0.638 -11.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.248 -0.699 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.597 -2.085 -11.543 1.00 0.00 H new ATOM 447 N TYR A 64 -8.367 -5.197 -5.552 1.00 0.00 N ATOM 448 CA TYR A 64 -7.961 -6.386 -4.863 1.00 0.00 C ATOM 449 C TYR A 64 -9.044 -6.759 -3.853 1.00 0.00 C ATOM 450 O TYR A 64 -9.988 -6.019 -3.581 1.00 0.00 O ATOM 451 CB TYR A 64 -6.624 -6.107 -4.163 1.00 0.00 C ATOM 452 CG TYR A 64 -5.539 -5.508 -5.038 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.391 -5.897 -6.385 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.751 -4.462 -4.530 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.593 -5.130 -7.251 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.925 -3.723 -5.388 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.909 -4.006 -6.761 1.00 0.00 C ATOM 458 OH TYR A 64 -3.407 -3.085 -7.627 1.00 0.00 O ATOM 0 H TYR A 64 -7.912 -4.351 -5.208 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.829 -7.219 -5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.806 -5.432 -3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.252 -7.042 -3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.890 -6.782 -6.751 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.782 -4.227 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.506 -5.405 -8.292 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.301 -2.936 -4.992 1.00 0.00 H new ATOM 0 HH TYR A 64 -3.742 -2.195 -7.389 1.00 0.00 H new ATOM 459 N SER A 65 -8.846 -7.939 -3.297 1.00 0.00 N ATOM 460 CA SER A 65 -9.666 -8.609 -2.305 1.00 0.00 C ATOM 461 C SER A 65 -8.944 -8.616 -0.960 1.00 0.00 C ATOM 462 O SER A 65 -7.742 -8.370 -0.909 1.00 0.00 O ATOM 463 CB SER A 65 -9.911 -10.039 -2.789 1.00 0.00 C ATOM 464 OG SER A 65 -8.693 -10.758 -2.840 1.00 0.00 O ATOM 0 H SER A 65 -8.035 -8.503 -3.551 1.00 0.00 H new ATOM 0 HA SER A 65 -10.617 -8.092 -2.176 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.610 -10.541 -2.120 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.372 -10.022 -3.777 1.00 0.00 H new ATOM 0 HG SER A 65 -8.229 -10.556 -3.679 1.00 0.00 H new ATOM 465 N ASP A 66 -9.656 -8.940 0.122 1.00 0.00 N ATOM 466 CA ASP A 66 -9.094 -8.989 1.469 1.00 0.00 C ATOM 467 C ASP A 66 -7.784 -9.788 1.515 1.00 0.00 C ATOM 468 O ASP A 66 -6.786 -9.324 2.064 1.00 0.00 O ATOM 469 CB ASP A 66 -10.127 -9.608 2.414 1.00 0.00 C ATOM 470 CG ASP A 66 -9.579 -9.663 3.831 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.570 -8.588 4.468 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.166 -10.767 4.244 1.00 0.00 O ATOM 0 H ASP A 66 -10.647 -9.177 0.085 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.859 -7.972 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.045 -9.021 2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.383 -10.612 2.076 1.00 0.00 H new ATOM 473 N GLU A 67 -7.788 -10.982 0.917 1.00 0.00 N ATOM 474 CA GLU A 67 -6.623 -11.856 0.879 1.00 0.00 C ATOM 475 C GLU A 67 -5.453 -11.132 0.208 1.00 0.00 C ATOM 476 O GLU A 67 -4.358 -11.054 0.760 1.00 0.00 O ATOM 477 CB GLU A 67 -6.995 -13.148 0.137 1.00 0.00 C ATOM 478 CG GLU A 67 -5.839 -14.157 0.124 1.00 0.00 C ATOM 479 CD GLU A 67 -6.263 -15.475 -0.518 1.00 0.00 C ATOM 480 OE1 GLU A 67 -6.547 -15.447 -1.734 1.00 0.00 O ATOM 481 OE2 GLU A 67 -6.307 -16.482 0.222 1.00 0.00 O ATOM 0 H GLU A 67 -8.606 -11.367 0.445 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.310 -12.117 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.866 -13.601 0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.279 -12.909 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.994 -13.739 -0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.500 -14.339 1.144 1.00 0.00 H new ATOM 482 N GLU A 68 -5.692 -10.595 -0.988 1.00 0.00 N ATOM 483 CA GLU A 68 -4.690 -9.870 -1.750 1.00 0.00 C ATOM 484 C GLU A 68 -4.175 -8.665 -0.955 1.00 0.00 C ATOM 485 O GLU A 68 -2.978 -8.392 -0.957 1.00 0.00 O ATOM 486 CB GLU A 68 -5.320 -9.432 -3.066 1.00 0.00 C ATOM 487 CG GLU A 68 -5.510 -10.599 -4.039 1.00 0.00 C ATOM 488 CD GLU A 68 -6.271 -10.131 -5.272 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.458 -9.783 -5.083 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.660 -10.100 -6.361 1.00 0.00 O ATOM 0 H GLU A 68 -6.597 -10.655 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.832 -10.512 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.286 -8.968 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.692 -8.673 -3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.540 -11.001 -4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.055 -11.406 -3.550 1.00 0.00 H new ATOM 491 N LEU A 69 -5.063 -7.926 -0.286 1.00 0.00 N ATOM 492 CA LEU A 69 -4.673 -6.787 0.536 1.00 0.00 C ATOM 493 C LEU A 69 -3.732 -7.278 1.643 1.00 0.00 C ATOM 494 O LEU A 69 -2.678 -6.687 1.881 1.00 0.00 O ATOM 495 CB LEU A 69 -5.916 -6.107 1.129 1.00 0.00 C ATOM 496 CG LEU A 69 -6.799 -5.339 0.133 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.913 -4.640 0.920 1.00 0.00 C ATOM 498 CD2 LEU A 69 -6.027 -4.298 -0.676 1.00 0.00 C ATOM 0 H LEU A 69 -6.068 -8.102 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.153 -6.048 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.527 -6.869 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.592 -5.415 1.906 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.198 -6.059 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.553 -4.088 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.507 -5.385 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.472 -3.949 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.707 -3.791 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.582 -3.568 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.240 -4.791 -1.246 1.00 0.00 H new ATOM 499 N LYS A 70 -4.098 -8.372 2.318 1.00 0.00 N ATOM 500 CA LYS A 70 -3.263 -8.949 3.361 1.00 0.00 C ATOM 501 C LYS A 70 -1.910 -9.338 2.747 1.00 0.00 C ATOM 502 O LYS A 70 -0.866 -9.056 3.327 1.00 0.00 O ATOM 503 CB LYS A 70 -3.987 -10.151 3.993 1.00 0.00 C ATOM 504 CG LYS A 70 -3.587 -10.438 5.450 1.00 0.00 C ATOM 505 CD LYS A 70 -2.088 -10.707 5.639 1.00 0.00 C ATOM 506 CE LYS A 70 -1.800 -11.287 7.027 1.00 0.00 C ATOM 507 NZ LYS A 70 -0.355 -11.503 7.226 1.00 0.00 N ATOM 0 H LYS A 70 -4.971 -8.873 2.155 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.079 -8.229 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.062 -9.975 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.786 -11.038 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.875 -9.589 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.149 -11.300 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.741 -11.400 4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.530 -9.780 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.178 -10.609 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.331 -12.231 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.190 -11.896 8.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.001 -12.168 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.147 -10.597 7.135 1.00 0.00 H new ATOM 508 N ALA A 71 -1.917 -9.949 1.557 1.00 0.00 N ATOM 509 CA ALA A 71 -0.712 -10.364 0.855 1.00 0.00 C ATOM 510 C ALA A 71 0.171 -9.152 0.604 1.00 0.00 C ATOM 511 O ALA A 71 1.367 -9.176 0.895 1.00 0.00 O ATOM 512 CB ALA A 71 -1.096 -11.093 -0.435 1.00 0.00 C ATOM 0 H ALA A 71 -2.776 -10.169 1.053 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.137 -11.064 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.193 -11.403 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.695 -11.971 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.675 -10.424 -1.072 1.00 0.00 H new ATOM 513 N LEU A 72 -0.416 -8.074 0.088 1.00 0.00 N ATOM 514 CA LEU A 72 0.328 -6.864 -0.162 1.00 0.00 C ATOM 515 C LEU A 72 0.971 -6.352 1.113 1.00 0.00 C ATOM 516 O LEU A 72 2.163 -6.069 1.112 1.00 0.00 O ATOM 517 CB LEU A 72 -0.631 -5.800 -0.676 1.00 0.00 C ATOM 518 CG LEU A 72 -0.802 -5.885 -2.182 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.737 -4.748 -2.548 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.553 -5.650 -2.838 1.00 0.00 C ATOM 0 H LEU A 72 -1.404 -8.024 -0.161 1.00 0.00 H new ATOM 0 HA LEU A 72 1.108 -7.078 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.600 -5.918 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.258 -4.812 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.190 -6.851 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.906 -4.748 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.688 -4.878 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.290 -3.799 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.448 -5.708 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.925 -4.663 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.257 -6.411 -2.501 1.00 0.00 H new ATOM 521 N ALA A 73 0.185 -6.193 2.179 1.00 0.00 N ATOM 522 CA ALA A 73 0.691 -5.667 3.436 1.00 0.00 C ATOM 523 C ALA A 73 1.813 -6.553 3.971 1.00 0.00 C ATOM 524 O ALA A 73 2.858 -6.052 4.378 1.00 0.00 O ATOM 525 CB ALA A 73 -0.457 -5.597 4.443 1.00 0.00 C ATOM 0 H ALA A 73 -0.808 -6.424 2.191 1.00 0.00 H new ATOM 0 HA ALA A 73 1.097 -4.668 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.087 -5.203 5.390 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.239 -4.942 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.865 -6.596 4.600 1.00 0.00 H new ATOM 526 N ASP A 74 1.585 -7.868 3.996 1.00 0.00 N ATOM 527 CA ASP A 74 2.573 -8.842 4.419 1.00 0.00 C ATOM 528 C ASP A 74 3.851 -8.625 3.609 1.00 0.00 C ATOM 529 O ASP A 74 4.939 -8.592 4.178 1.00 0.00 O ATOM 530 CB ASP A 74 2.018 -10.255 4.215 1.00 0.00 C ATOM 531 CG ASP A 74 3.011 -11.304 4.692 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.866 -11.695 3.869 1.00 0.00 O ATOM 533 OD2 ASP A 74 2.902 -11.687 5.877 1.00 0.00 O ATOM 0 H ASP A 74 0.696 -8.283 3.718 1.00 0.00 H new ATOM 0 HA ASP A 74 2.803 -8.721 5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.080 -10.363 4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.795 -10.413 3.160 1.00 0.00 H new ATOM 534 N TYR A 75 3.723 -8.433 2.289 1.00 0.00 N ATOM 535 CA TYR A 75 4.899 -8.193 1.470 1.00 0.00 C ATOM 536 C TYR A 75 5.545 -6.867 1.874 1.00 0.00 C ATOM 537 O TYR A 75 6.743 -6.848 2.138 1.00 0.00 O ATOM 538 CB TYR A 75 4.631 -8.240 -0.036 1.00 0.00 C ATOM 539 CG TYR A 75 5.939 -7.968 -0.763 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.022 -8.824 -0.475 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.210 -6.653 -1.191 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.327 -8.314 -0.382 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.529 -6.165 -1.174 1.00 0.00 C ATOM 544 CZ TYR A 75 8.567 -6.962 -0.662 1.00 0.00 C ATOM 545 OH TYR A 75 9.787 -6.413 -0.404 1.00 0.00 O ATOM 0 H TYR A 75 2.837 -8.440 1.784 1.00 0.00 H new ATOM 0 HA TYR A 75 5.588 -9.016 1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.234 -9.214 -0.321 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.882 -7.498 -0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.847 -9.879 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.405 -6.020 -1.532 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.143 -8.961 -0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.744 -5.177 -1.555 1.00 0.00 H new ATOM 0 HH TYR A 75 10.061 -6.638 0.510 1.00 0.00 H new ATOM 546 N MET A 76 4.803 -5.753 1.892 1.00 0.00 N ATOM 547 CA MET A 76 5.341 -4.474 2.334 1.00 0.00 C ATOM 548 C MET A 76 6.087 -4.609 3.672 1.00 0.00 C ATOM 549 O MET A 76 7.134 -3.999 3.877 1.00 0.00 O ATOM 550 CB MET A 76 4.206 -3.457 2.436 1.00 0.00 C ATOM 551 CG MET A 76 3.821 -2.914 1.063 1.00 0.00 C ATOM 552 SD MET A 76 2.559 -1.629 1.144 1.00 0.00 S ATOM 553 CE MET A 76 1.089 -2.657 1.122 1.00 0.00 C ATOM 0 H MET A 76 3.825 -5.719 1.603 1.00 0.00 H new ATOM 0 HA MET A 76 6.068 -4.126 1.600 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.338 -3.924 2.901 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.510 -2.634 3.083 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.709 -2.513 0.574 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.458 -3.734 0.443 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.602 -2.575 0.150 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.368 -3.695 1.301 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.402 -2.327 1.901 1.00 0.00 H new ATOM 554 N SER A 77 5.570 -5.423 4.592 1.00 0.00 N ATOM 555 CA SER A 77 6.223 -5.656 5.876 1.00 0.00 C ATOM 556 C SER A 77 7.675 -6.130 5.670 1.00 0.00 C ATOM 557 O SER A 77 8.542 -5.853 6.495 1.00 0.00 O ATOM 558 CB SER A 77 5.413 -6.680 6.677 1.00 0.00 C ATOM 559 OG SER A 77 5.726 -6.599 8.053 1.00 0.00 O ATOM 0 H SER A 77 4.696 -5.934 4.469 1.00 0.00 H new ATOM 0 HA SER A 77 6.262 -4.722 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.347 -6.503 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.623 -7.685 6.310 1.00 0.00 H new ATOM 0 HG SER A 77 5.293 -5.810 8.441 1.00 0.00 H new ATOM 560 N LYS A 78 7.936 -6.829 4.559 1.00 0.00 N ATOM 561 CA LYS A 78 9.227 -7.367 4.162 1.00 0.00 C ATOM 562 C LYS A 78 9.928 -6.475 3.118 1.00 0.00 C ATOM 563 O LYS A 78 10.596 -6.995 2.220 1.00 0.00 O ATOM 564 CB LYS A 78 9.021 -8.796 3.632 1.00 0.00 C ATOM 565 CG LYS A 78 8.324 -9.691 4.665 1.00 0.00 C ATOM 566 CD LYS A 78 8.120 -11.102 4.100 1.00 0.00 C ATOM 567 CE LYS A 78 7.511 -12.044 5.145 1.00 0.00 C ATOM 568 NZ LYS A 78 6.175 -11.600 5.580 1.00 0.00 N ATOM 0 H LYS A 78 7.205 -7.042 3.880 1.00 0.00 H new ATOM 0 HA LYS A 78 9.885 -7.390 5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.426 -8.763 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.986 -9.229 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.922 -9.740 5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.361 -9.259 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.468 -11.055 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.076 -11.501 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.441 -13.049 4.729 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.173 -12.102 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.780 -12.292 6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.252 -10.674 6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.549 -11.520 4.753 1.00 0.00 H new ATOM 569 N LEU A 79 9.728 -5.153 3.168 1.00 0.00 N ATOM 570 CA LEU A 79 10.445 -4.222 2.299 1.00 0.00 C ATOM 571 C LEU A 79 11.839 -3.993 2.879 1.00 0.00 C ATOM 572 O LEU A 79 12.808 -4.021 2.091 1.00 0.00 O ATOM 573 CB LEU A 79 9.715 -2.878 2.227 1.00 0.00 C ATOM 574 CG LEU A 79 8.478 -2.962 1.337 1.00 0.00 C ATOM 575 CD1 LEU A 79 7.493 -1.839 1.661 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.809 -2.796 -0.137 1.00 0.00 C ATOM 577 OXT LEU A 79 11.910 -3.730 4.101 1.00 0.00 O ATOM 0 H LEU A 79 9.071 -4.705 3.806 1.00 0.00 H new ATOM 0 HA LEU A 79 10.504 -4.645 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.423 -2.567 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.391 -2.115 1.841 1.00 0.00 H new ATOM 0 HG LEU A 79 8.057 -3.949 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.621 -1.922 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.180 -1.918 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.975 -0.875 1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.894 -2.864 -0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.273 -1.823 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.498 -3.582 -0.446 1.00 0.00 H new