USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot -68:sc= 1.9 USER MOD Set 1.2: A 10 CYS SG : rot 14:sc= -2.03 USER MOD Set 1.3: A 63 LYS NZ :NH3+ -154:sc= 0.766 (180deg=-0.0919) USER MOD Set 1.4: A 64 TYR OH : rot -120:sc= 1.29 USER MOD Set 2.1: A 59 ASN : amide:sc= 0.322 K(o=1.2,f=0.031) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -172:sc= 0.845 (180deg=0.757) USER MOD Set 3.1: A 44 TYR OH : rot 72:sc= 1.29 USER MOD Set 3.2: A 49 TYR OH : rot 60:sc= 0.172 USER MOD Set 4.1: A 41 MET CE :methyl -161:sc= -0.511 (180deg=-0.685) USER MOD Set 4.2: A 76 MET CE :methyl 164:sc= -0.0561 (180deg=-0.38) USER MOD Set 5.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 40 LYS NZ :NH3+ -165:sc= -0.05 (180deg=-0.293) USER MOD Set 6.1: A 7 TYR OH : rot 180:sc= -0.294 USER MOD Set 6.2: A 14 HIS : no HD1:sc= -2.36! X(o=-2.7!,f=-2.4) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= -0.0188 (180deg=-0.195) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.475 USER MOD Single : A 19 SER OG : rot 52:sc= 1.17 USER MOD Single : A 20 LYS NZ :NH3+ -119:sc= -0.0295 (180deg=-0.0964) USER MOD Single : A 23 MET CE :methyl 177:sc= 0 (180deg=-0.0152) USER MOD Single : A 25 SER OG : rot 78:sc= 0.861 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 0.805 (180deg=0.714) USER MOD Single : A 32 GLN : amide:sc= 0.42 K(o=0.42,f=-1.3) USER MOD Single : A 38 TYR OH : rot 29:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0.972 (180deg=0.901) USER MOD Single : A 48 SER OG : rot -26:sc= 0.305 USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0745) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 169:sc= -1.19 (180deg=-1.89) USER MOD Single : A 58 THR OG1 : rot 83:sc= 1.03 USER MOD Single : A 65 SER OG : rot -77:sc= 1.13 USER MOD Single : A 70 LYS NZ :NH3+ -114:sc= 0.213 (180deg=0) USER MOD Single : A 75 TYR OH : rot -51:sc= 1.2 USER MOD Single : A 77 SER OG : rot 63:sc= 1.15 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.218 (180deg=0.208) USER MOD ----------------------------------------------------------------- ATOM 6 N ASP A 2 0.571 -13.896 -3.972 1.00 0.00 N ATOM 7 CA ASP A 2 1.929 -13.445 -3.664 1.00 0.00 C ATOM 8 C ASP A 2 2.095 -11.937 -3.684 1.00 0.00 C ATOM 9 O ASP A 2 2.396 -11.387 -4.734 1.00 0.00 O ATOM 10 CB ASP A 2 2.910 -14.099 -4.651 1.00 0.00 C ATOM 11 CG ASP A 2 2.824 -15.622 -4.633 1.00 0.00 C ATOM 12 OD1 ASP A 2 1.732 -16.124 -4.986 1.00 0.00 O ATOM 13 OD2 ASP A 2 3.834 -16.249 -4.250 1.00 0.00 O ATOM 0 HA ASP A 2 2.142 -13.753 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.702 -13.738 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.927 -13.792 -4.406 1.00 0.00 H new ATOM 14 N GLY A 3 1.968 -11.295 -2.515 1.00 0.00 N ATOM 15 CA GLY A 3 2.055 -9.857 -2.307 1.00 0.00 C ATOM 16 C GLY A 3 3.133 -9.200 -3.156 1.00 0.00 C ATOM 17 O GLY A 3 2.884 -8.211 -3.837 1.00 0.00 O ATOM 0 H GLY A 3 1.792 -11.799 -1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.091 -9.403 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.258 -9.659 -1.254 1.00 0.00 H new ATOM 18 N ALA A 4 4.324 -9.790 -3.160 1.00 0.00 N ATOM 19 CA ALA A 4 5.462 -9.277 -3.904 1.00 0.00 C ATOM 20 C ALA A 4 5.163 -9.020 -5.385 1.00 0.00 C ATOM 21 O ALA A 4 5.799 -8.147 -5.970 1.00 0.00 O ATOM 22 CB ALA A 4 6.630 -10.257 -3.768 1.00 0.00 C ATOM 0 H ALA A 4 4.525 -10.645 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 4 5.715 -8.307 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.488 -9.879 -4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.896 -10.362 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.338 -11.228 -4.167 1.00 0.00 H new ATOM 23 N ALA A 5 4.222 -9.743 -6.005 1.00 0.00 N ATOM 24 CA ALA A 5 3.916 -9.537 -7.410 1.00 0.00 C ATOM 25 C ALA A 5 2.867 -8.441 -7.549 1.00 0.00 C ATOM 26 O ALA A 5 2.832 -7.742 -8.558 1.00 0.00 O ATOM 27 CB ALA A 5 3.433 -10.853 -8.027 1.00 0.00 C ATOM 0 H ALA A 5 3.667 -10.469 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 5 4.811 -9.219 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.203 -10.698 -9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.214 -11.607 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.537 -11.192 -7.507 1.00 0.00 H new ATOM 28 N LEU A 6 2.027 -8.267 -6.528 1.00 0.00 N ATOM 29 CA LEU A 6 0.983 -7.280 -6.528 1.00 0.00 C ATOM 30 C LEU A 6 1.629 -5.918 -6.294 1.00 0.00 C ATOM 31 O LEU A 6 1.356 -4.965 -7.031 1.00 0.00 O ATOM 32 CB LEU A 6 -0.025 -7.655 -5.435 1.00 0.00 C ATOM 33 CG LEU A 6 -0.815 -8.941 -5.730 1.00 0.00 C ATOM 34 CD1 LEU A 6 -0.048 -10.246 -5.620 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.932 -9.085 -4.693 1.00 0.00 C ATOM 0 H LEU A 6 2.065 -8.822 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 6 0.444 -7.238 -7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.506 -7.775 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.727 -6.831 -5.304 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.133 -8.812 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.712 -11.079 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.784 -10.239 -6.324 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.336 -10.358 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.499 -9.994 -4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.497 -9.141 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.596 -8.223 -4.752 1.00 0.00 H new ATOM 36 N TYR A 7 2.540 -5.835 -5.311 1.00 0.00 N ATOM 37 CA TYR A 7 3.176 -4.572 -4.984 1.00 0.00 C ATOM 38 C TYR A 7 3.966 -3.960 -6.153 1.00 0.00 C ATOM 39 O TYR A 7 4.281 -2.770 -6.117 1.00 0.00 O ATOM 40 CB TYR A 7 4.008 -4.724 -3.702 1.00 0.00 C ATOM 41 CG TYR A 7 4.124 -3.446 -2.885 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.975 -2.687 -2.584 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.348 -3.083 -2.297 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.082 -1.477 -1.883 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.447 -1.884 -1.570 1.00 0.00 C ATOM 46 CZ TYR A 7 4.340 -1.028 -1.465 1.00 0.00 C ATOM 47 OH TYR A 7 4.479 0.202 -0.897 1.00 0.00 O ATOM 0 H TYR A 7 2.843 -6.625 -4.741 1.00 0.00 H new ATOM 0 HA TYR A 7 2.389 -3.843 -4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.561 -5.501 -3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.008 -5.065 -3.969 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.003 -3.040 -2.896 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.211 -3.724 -2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.198 -0.895 -1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.378 -1.621 -1.091 1.00 0.00 H new ATOM 0 HH TYR A 7 5.420 0.351 -0.666 1.00 0.00 H new ATOM 48 N LYS A 8 4.266 -4.726 -7.210 1.00 0.00 N ATOM 49 CA LYS A 8 4.962 -4.196 -8.381 1.00 0.00 C ATOM 50 C LYS A 8 4.235 -2.959 -8.933 1.00 0.00 C ATOM 51 O LYS A 8 4.877 -1.990 -9.334 1.00 0.00 O ATOM 52 CB LYS A 8 5.057 -5.274 -9.469 1.00 0.00 C ATOM 53 CG LYS A 8 5.866 -6.511 -9.056 1.00 0.00 C ATOM 54 CD LYS A 8 7.346 -6.192 -8.798 1.00 0.00 C ATOM 55 CE LYS A 8 8.168 -7.458 -8.524 1.00 0.00 C ATOM 56 NZ LYS A 8 8.219 -8.355 -9.692 1.00 0.00 N ATOM 0 H LYS A 8 4.035 -5.717 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 8 5.967 -3.901 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.050 -5.587 -9.744 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.510 -4.838 -10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.429 -6.942 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.792 -7.266 -9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.760 -5.671 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.428 -5.515 -7.947 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.182 -7.176 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.737 -7.992 -7.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.964 -9.067 -9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.301 -8.832 -9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.428 -7.800 -10.547 1.00 0.00 H new ATOM 57 N SER A 9 2.896 -2.969 -8.920 1.00 0.00 N ATOM 58 CA SER A 9 2.088 -1.852 -9.413 1.00 0.00 C ATOM 59 C SER A 9 2.215 -0.587 -8.553 1.00 0.00 C ATOM 60 O SER A 9 1.784 0.488 -8.962 1.00 0.00 O ATOM 61 CB SER A 9 0.611 -2.276 -9.456 1.00 0.00 C ATOM 62 OG SER A 9 0.130 -2.759 -8.210 1.00 0.00 O ATOM 0 H SER A 9 2.345 -3.752 -8.567 1.00 0.00 H new ATOM 0 HA SER A 9 2.461 -1.606 -10.407 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.005 -1.425 -9.767 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.484 -3.051 -10.212 1.00 0.00 H new ATOM 0 HG SER A 9 0.562 -3.613 -8.001 1.00 0.00 H new ATOM 63 N CYS A 10 2.793 -0.722 -7.363 1.00 0.00 N ATOM 64 CA CYS A 10 2.932 0.297 -6.339 1.00 0.00 C ATOM 65 C CYS A 10 4.359 0.822 -6.291 1.00 0.00 C ATOM 66 O CYS A 10 4.596 2.020 -6.116 1.00 0.00 O ATOM 67 CB CYS A 10 2.550 -0.379 -5.018 1.00 0.00 C ATOM 68 SG CYS A 10 1.175 -1.573 -5.139 1.00 0.00 S ATOM 0 H CYS A 10 3.204 -1.610 -7.073 1.00 0.00 H new ATOM 0 HA CYS A 10 2.293 1.157 -6.542 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.426 -0.894 -4.623 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.281 0.392 -4.296 1.00 0.00 H new ATOM 0 HG CYS A 10 0.951 -1.851 -6.389 1.00 0.00 H new ATOM 69 N ILE A 11 5.308 -0.101 -6.467 1.00 0.00 N ATOM 70 CA ILE A 11 6.744 0.140 -6.477 1.00 0.00 C ATOM 71 C ILE A 11 7.111 1.374 -7.310 1.00 0.00 C ATOM 72 O ILE A 11 8.082 2.054 -6.986 1.00 0.00 O ATOM 73 CB ILE A 11 7.446 -1.163 -6.932 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.220 -1.756 -5.748 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.418 -0.968 -8.103 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.317 -2.282 -4.631 1.00 0.00 C ATOM 0 H ILE A 11 5.079 -1.084 -6.613 1.00 0.00 H new ATOM 0 HA ILE A 11 7.098 0.384 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 11 6.659 -1.832 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.851 -2.569 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.884 -0.994 -5.339 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.870 -1.925 -8.364 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.877 -0.576 -8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.199 -0.265 -7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.931 -2.687 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.704 -1.468 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.671 -3.067 -5.024 1.00 0.00 H new ATOM 77 N GLY A 12 6.353 1.674 -8.368 1.00 0.00 N ATOM 78 CA GLY A 12 6.589 2.845 -9.197 1.00 0.00 C ATOM 79 C GLY A 12 6.521 4.145 -8.384 1.00 0.00 C ATOM 80 O GLY A 12 7.372 5.015 -8.550 1.00 0.00 O ATOM 0 H GLY A 12 5.560 1.108 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.568 2.764 -9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.850 2.878 -9.997 1.00 0.00 H new ATOM 81 N CYS A 13 5.517 4.286 -7.507 1.00 0.00 N ATOM 82 CA CYS A 13 5.348 5.487 -6.686 1.00 0.00 C ATOM 83 C CYS A 13 6.176 5.379 -5.408 1.00 0.00 C ATOM 84 O CYS A 13 6.769 6.354 -4.955 1.00 0.00 O ATOM 85 CB CYS A 13 3.872 5.688 -6.309 1.00 0.00 C ATOM 86 SG CYS A 13 3.414 7.380 -5.872 1.00 0.00 S ATOM 0 H CYS A 13 4.804 3.573 -7.349 1.00 0.00 H new ATOM 0 HA CYS A 13 5.688 6.341 -7.272 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.253 5.365 -7.146 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.636 5.036 -5.468 1.00 0.00 H new ATOM 0 HG CYS A 13 2.149 7.424 -5.576 1.00 0.00 H new ATOM 87 N HIS A 14 6.210 4.174 -4.830 1.00 0.00 N ATOM 88 CA HIS A 14 6.903 3.886 -3.579 1.00 0.00 C ATOM 89 C HIS A 14 8.428 3.818 -3.714 1.00 0.00 C ATOM 90 O HIS A 14 9.143 4.002 -2.728 1.00 0.00 O ATOM 91 CB HIS A 14 6.283 2.610 -3.002 1.00 0.00 C ATOM 92 CG HIS A 14 4.920 2.923 -2.455 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.777 3.618 -1.269 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.648 2.803 -2.961 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.495 3.993 -1.188 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.732 3.406 -2.109 1.00 0.00 N ATOM 0 H HIS A 14 5.746 3.358 -5.230 1.00 0.00 H new ATOM 0 HA HIS A 14 6.762 4.715 -2.886 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.210 1.846 -3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.920 2.207 -2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.397 2.310 -3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.120 4.694 -0.457 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.714 3.401 -2.173 1.00 0.00 H new ATOM 97 N GLY A 15 8.950 3.562 -4.911 1.00 0.00 N ATOM 98 CA GLY A 15 10.382 3.521 -5.139 1.00 0.00 C ATOM 99 C GLY A 15 11.032 2.250 -4.621 1.00 0.00 C ATOM 100 O GLY A 15 11.667 2.267 -3.569 1.00 0.00 O ATOM 0 H GLY A 15 8.390 3.379 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.576 3.612 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.845 4.382 -4.657 1.00 0.00 H new ATOM 101 N ALA A 16 10.886 1.170 -5.397 1.00 0.00 N ATOM 102 CA ALA A 16 11.469 -0.144 -5.147 1.00 0.00 C ATOM 103 C ALA A 16 11.288 -0.596 -3.693 1.00 0.00 C ATOM 104 O ALA A 16 10.261 -1.159 -3.325 1.00 0.00 O ATOM 105 CB ALA A 16 12.946 -0.119 -5.568 1.00 0.00 C ATOM 0 H ALA A 16 10.333 1.194 -6.254 1.00 0.00 H new ATOM 0 HA ALA A 16 10.940 -0.885 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.393 -1.096 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.018 0.121 -6.629 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.477 0.636 -4.989 1.00 0.00 H new ATOM 106 N ASP A 17 12.268 -0.317 -2.840 1.00 0.00 N ATOM 107 CA ASP A 17 12.327 -0.653 -1.447 1.00 0.00 C ATOM 108 C ASP A 17 11.563 0.380 -0.623 1.00 0.00 C ATOM 109 O ASP A 17 12.085 0.899 0.356 1.00 0.00 O ATOM 110 CB ASP A 17 13.802 -0.771 -1.027 1.00 0.00 C ATOM 111 CG ASP A 17 14.600 0.530 -1.145 1.00 0.00 C ATOM 112 OD1 ASP A 17 14.271 1.332 -2.048 1.00 0.00 O ATOM 113 OD2 ASP A 17 15.551 0.681 -0.349 1.00 0.00 O ATOM 0 H ASP A 17 13.100 0.190 -3.142 1.00 0.00 H new ATOM 0 HA ASP A 17 11.846 -1.614 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.846 -1.118 0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.282 -1.534 -1.640 1.00 0.00 H new ATOM 114 N GLY A 18 10.344 0.702 -1.062 1.00 0.00 N ATOM 115 CA GLY A 18 9.389 1.630 -0.461 1.00 0.00 C ATOM 116 C GLY A 18 10.006 2.811 0.276 1.00 0.00 C ATOM 117 O GLY A 18 9.495 3.216 1.324 1.00 0.00 O ATOM 0 H GLY A 18 9.972 0.286 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.737 2.013 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.759 1.077 0.236 1.00 0.00 H new ATOM 118 N SER A 19 11.071 3.368 -0.302 1.00 0.00 N ATOM 119 CA SER A 19 11.826 4.464 0.287 1.00 0.00 C ATOM 120 C SER A 19 11.417 5.825 -0.266 1.00 0.00 C ATOM 121 O SER A 19 11.643 6.831 0.404 1.00 0.00 O ATOM 122 CB SER A 19 13.320 4.210 0.073 1.00 0.00 C ATOM 123 OG SER A 19 13.713 3.094 0.844 1.00 0.00 O ATOM 0 H SER A 19 11.435 3.063 -1.205 1.00 0.00 H new ATOM 0 HA SER A 19 11.604 4.495 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.523 4.029 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.896 5.089 0.362 1.00 0.00 H new ATOM 0 HG SER A 19 13.120 2.338 0.651 1.00 0.00 H new ATOM 124 N LYS A 20 10.854 5.898 -1.475 1.00 0.00 N ATOM 125 CA LYS A 20 10.439 7.192 -1.990 1.00 0.00 C ATOM 126 C LYS A 20 9.149 7.574 -1.276 1.00 0.00 C ATOM 127 O LYS A 20 8.207 6.782 -1.214 1.00 0.00 O ATOM 128 CB LYS A 20 10.247 7.166 -3.511 1.00 0.00 C ATOM 129 CG LYS A 20 11.591 7.016 -4.234 1.00 0.00 C ATOM 130 CD LYS A 20 11.367 7.039 -5.753 1.00 0.00 C ATOM 131 CE LYS A 20 12.672 6.824 -6.529 1.00 0.00 C ATOM 132 NZ LYS A 20 13.234 5.479 -6.309 1.00 0.00 N ATOM 0 H LYS A 20 10.682 5.104 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 20 11.215 7.934 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.590 6.340 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.757 8.084 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.263 7.823 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.070 6.082 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.651 6.264 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.927 7.994 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.488 6.970 -7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.401 7.575 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.176 5.563 -5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.609 4.941 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.314 4.983 -7.220 1.00 0.00 H new ATOM 133 N ALA A 21 9.118 8.781 -0.708 1.00 0.00 N ATOM 134 CA ALA A 21 7.945 9.291 -0.023 1.00 0.00 C ATOM 135 C ALA A 21 6.903 9.572 -1.106 1.00 0.00 C ATOM 136 O ALA A 21 6.801 10.676 -1.632 1.00 0.00 O ATOM 137 CB ALA A 21 8.328 10.521 0.805 1.00 0.00 C ATOM 0 H ALA A 21 9.908 9.426 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 21 7.525 8.582 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.446 10.903 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.084 10.244 1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.727 11.293 0.147 1.00 0.00 H new ATOM 138 N ALA A 22 6.163 8.526 -1.463 1.00 0.00 N ATOM 139 CA ALA A 22 5.163 8.496 -2.510 1.00 0.00 C ATOM 140 C ALA A 22 4.258 9.735 -2.569 1.00 0.00 C ATOM 141 O ALA A 22 3.735 10.177 -1.547 1.00 0.00 O ATOM 142 CB ALA A 22 4.376 7.193 -2.356 1.00 0.00 C ATOM 0 H ALA A 22 6.256 7.624 -0.996 1.00 0.00 H new ATOM 0 HA ALA A 22 5.670 8.525 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.611 7.136 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.054 6.345 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.901 7.168 -1.375 1.00 0.00 H new ATOM 143 N MET A 23 4.106 10.259 -3.795 1.00 0.00 N ATOM 144 CA MET A 23 3.329 11.396 -4.297 1.00 0.00 C ATOM 145 C MET A 23 3.056 12.542 -3.312 1.00 0.00 C ATOM 146 O MET A 23 3.456 13.676 -3.562 1.00 0.00 O ATOM 147 CB MET A 23 2.029 10.837 -4.895 1.00 0.00 C ATOM 148 CG MET A 23 1.135 11.892 -5.557 1.00 0.00 C ATOM 149 SD MET A 23 1.876 12.893 -6.875 1.00 0.00 S ATOM 150 CE MET A 23 2.202 11.623 -8.118 1.00 0.00 C ATOM 0 H MET A 23 4.604 9.824 -4.572 1.00 0.00 H new ATOM 0 HA MET A 23 3.950 11.890 -5.044 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.280 10.076 -5.633 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.463 10.342 -4.106 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.261 11.386 -5.967 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.777 12.567 -4.780 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.611 12.088 -9.015 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.919 10.903 -7.723 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.273 11.110 -8.366 1.00 0.00 H new ATOM 151 N GLY A 24 2.289 12.296 -2.253 1.00 0.00 N ATOM 152 CA GLY A 24 1.967 13.303 -1.253 1.00 0.00 C ATOM 153 C GLY A 24 3.167 13.666 -0.391 1.00 0.00 C ATOM 154 O GLY A 24 3.274 14.797 0.075 1.00 0.00 O ATOM 0 H GLY A 24 1.872 11.384 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.595 14.199 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.163 12.935 -0.616 1.00 0.00 H new ATOM 155 N SER A 25 4.053 12.686 -0.217 1.00 0.00 N ATOM 156 CA SER A 25 5.273 12.630 0.578 1.00 0.00 C ATOM 157 C SER A 25 4.982 11.537 1.600 1.00 0.00 C ATOM 158 O SER A 25 5.039 11.781 2.804 1.00 0.00 O ATOM 159 CB SER A 25 5.657 13.950 1.267 1.00 0.00 C ATOM 160 OG SER A 25 5.918 14.958 0.311 1.00 0.00 O ATOM 0 H SER A 25 3.909 11.797 -0.696 1.00 0.00 H new ATOM 0 HA SER A 25 6.136 12.431 -0.057 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.850 14.269 1.927 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.538 13.797 1.891 1.00 0.00 H new ATOM 0 HG SER A 25 5.071 15.312 -0.031 1.00 0.00 H new ATOM 161 N ALA A 26 4.649 10.330 1.121 1.00 0.00 N ATOM 162 CA ALA A 26 4.280 9.247 2.000 1.00 0.00 C ATOM 163 C ALA A 26 5.310 8.941 3.073 1.00 0.00 C ATOM 164 O ALA A 26 6.509 8.901 2.814 1.00 0.00 O ATOM 165 CB ALA A 26 4.059 7.980 1.177 1.00 0.00 C ATOM 0 H ALA A 26 4.632 10.094 0.129 1.00 0.00 H new ATOM 0 HA ALA A 26 3.372 9.570 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.780 7.160 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.261 8.150 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.978 7.724 0.650 1.00 0.00 H new ATOM 166 N LYS A 27 4.805 8.699 4.280 1.00 0.00 N ATOM 167 CA LYS A 27 5.588 8.258 5.412 1.00 0.00 C ATOM 168 C LYS A 27 6.191 6.946 4.894 1.00 0.00 C ATOM 169 O LYS A 27 5.395 6.046 4.611 1.00 0.00 O ATOM 170 CB LYS A 27 4.676 7.994 6.626 1.00 0.00 C ATOM 171 CG LYS A 27 3.794 9.169 7.089 1.00 0.00 C ATOM 172 CD LYS A 27 2.588 9.552 6.204 1.00 0.00 C ATOM 173 CE LYS A 27 1.756 8.374 5.663 1.00 0.00 C ATOM 174 NZ LYS A 27 1.217 7.517 6.730 1.00 0.00 N ATOM 0 H LYS A 27 3.814 8.809 4.495 1.00 0.00 H new ATOM 0 HA LYS A 27 6.331 8.982 5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.026 7.152 6.388 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.302 7.686 7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.418 8.934 8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.431 10.048 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.930 10.203 6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.952 10.135 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.932 8.762 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.376 7.772 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.667 6.742 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.001 7.121 7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.602 8.081 7.350 1.00 0.00 H new ATOM 175 N PRO A 28 7.523 6.846 4.699 1.00 0.00 N ATOM 176 CA PRO A 28 8.202 5.684 4.139 1.00 0.00 C ATOM 177 C PRO A 28 7.441 4.383 4.370 1.00 0.00 C ATOM 178 O PRO A 28 7.368 3.908 5.502 1.00 0.00 O ATOM 179 CB PRO A 28 9.591 5.692 4.774 1.00 0.00 C ATOM 180 CG PRO A 28 9.882 7.193 4.823 1.00 0.00 C ATOM 181 CD PRO A 28 8.517 7.805 5.157 1.00 0.00 C ATOM 0 HA PRO A 28 8.265 5.742 3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.594 5.239 5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.322 5.150 4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.627 7.434 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.265 7.560 3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.422 7.984 6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.389 8.767 4.660 1.00 0.00 H new ATOM 182 N VAL A 29 6.829 3.833 3.310 1.00 0.00 N ATOM 183 CA VAL A 29 6.068 2.602 3.455 1.00 0.00 C ATOM 184 C VAL A 29 7.061 1.534 3.935 1.00 0.00 C ATOM 185 O VAL A 29 6.690 0.647 4.702 1.00 0.00 O ATOM 186 CB VAL A 29 5.337 2.214 2.158 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.595 0.888 2.347 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.236 3.233 1.848 1.00 0.00 C ATOM 0 H VAL A 29 6.850 4.218 2.366 1.00 0.00 H new ATOM 0 HA VAL A 29 5.265 2.719 4.183 1.00 0.00 H new ATOM 0 HB VAL A 29 6.088 2.161 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.081 0.624 1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.309 0.105 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.866 0.990 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.725 2.948 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.519 3.255 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.679 4.221 1.726 1.00 0.00 H new ATOM 189 N LYS A 30 8.327 1.610 3.490 1.00 0.00 N ATOM 190 CA LYS A 30 9.359 0.700 3.952 1.00 0.00 C ATOM 191 C LYS A 30 9.531 0.840 5.451 1.00 0.00 C ATOM 192 O LYS A 30 10.101 1.807 5.954 1.00 0.00 O ATOM 193 CB LYS A 30 10.686 0.947 3.249 1.00 0.00 C ATOM 194 CG LYS A 30 11.823 0.132 3.894 1.00 0.00 C ATOM 195 CD LYS A 30 13.052 0.027 2.988 1.00 0.00 C ATOM 196 CE LYS A 30 14.234 -0.650 3.688 1.00 0.00 C ATOM 197 NZ LYS A 30 13.934 -2.058 4.006 1.00 0.00 N ATOM 0 H LYS A 30 8.649 2.298 2.809 1.00 0.00 H new ATOM 0 HA LYS A 30 9.043 -0.315 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.597 0.680 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.929 2.009 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.109 0.596 4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.461 -0.869 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.793 -0.536 2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.348 1.025 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.115 -0.599 3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.474 -0.111 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.818 -2.561 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.300 -2.100 4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.472 -2.508 3.190 1.00 0.00 H new ATOM 198 N GLY A 31 9.033 -0.177 6.136 1.00 0.00 N ATOM 199 CA GLY A 31 9.113 -0.292 7.577 1.00 0.00 C ATOM 200 C GLY A 31 7.742 -0.225 8.221 1.00 0.00 C ATOM 201 O GLY A 31 7.638 -0.472 9.422 1.00 0.00 O ATOM 0 H GLY A 31 8.552 -0.960 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.594 -1.234 7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.740 0.507 7.972 1.00 0.00 H new ATOM 202 N GLN A 32 6.690 0.130 7.470 1.00 0.00 N ATOM 203 CA GLN A 32 5.373 0.146 8.058 1.00 0.00 C ATOM 204 C GLN A 32 5.064 -1.320 8.450 1.00 0.00 C ATOM 205 O GLN A 32 5.491 -2.243 7.761 1.00 0.00 O ATOM 206 CB GLN A 32 4.349 0.823 7.128 1.00 0.00 C ATOM 207 CG GLN A 32 4.501 2.362 6.960 1.00 0.00 C ATOM 208 CD GLN A 32 3.322 3.002 6.192 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.214 2.481 6.290 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.490 4.100 5.431 1.00 0.00 N ATOM 0 H GLN A 32 6.735 0.399 6.487 1.00 0.00 H new ATOM 0 HA GLN A 32 5.315 0.760 8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.419 0.360 6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.349 0.615 7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.581 2.824 7.944 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.430 2.575 6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.412 4.530 5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.696 4.502 4.933 1.00 0.00 H new ATOM 211 N GLY A 33 4.362 -1.530 9.569 1.00 0.00 N ATOM 212 CA GLY A 33 4.081 -2.832 10.194 1.00 0.00 C ATOM 213 C GLY A 33 3.677 -4.013 9.293 1.00 0.00 C ATOM 214 O GLY A 33 4.519 -4.742 8.778 1.00 0.00 O ATOM 0 H GLY A 33 3.952 -0.757 10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.969 -3.130 10.751 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.283 -2.684 10.922 1.00 0.00 H new ATOM 215 N ALA A 34 2.365 -4.254 9.201 1.00 0.00 N ATOM 216 CA ALA A 34 1.669 -5.288 8.422 1.00 0.00 C ATOM 217 C ALA A 34 0.202 -5.077 8.744 1.00 0.00 C ATOM 218 O ALA A 34 -0.590 -4.765 7.862 1.00 0.00 O ATOM 219 CB ALA A 34 2.086 -6.727 8.747 1.00 0.00 C ATOM 0 H ALA A 34 1.700 -3.678 9.717 1.00 0.00 H new ATOM 0 HA ALA A 34 1.915 -5.182 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.520 -7.419 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.151 -6.850 8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.884 -6.936 9.797 1.00 0.00 H new ATOM 220 N GLU A 35 -0.140 -5.186 10.034 1.00 0.00 N ATOM 221 CA GLU A 35 -1.489 -4.908 10.501 1.00 0.00 C ATOM 222 C GLU A 35 -1.799 -3.467 10.085 1.00 0.00 C ATOM 223 O GLU A 35 -2.877 -3.183 9.578 1.00 0.00 O ATOM 224 CB GLU A 35 -1.572 -5.105 12.020 1.00 0.00 C ATOM 225 CG GLU A 35 -3.010 -4.932 12.525 1.00 0.00 C ATOM 226 CD GLU A 35 -3.094 -5.157 14.031 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.902 -4.163 14.763 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.335 -6.320 14.419 1.00 0.00 O ATOM 0 H GLU A 35 0.508 -5.467 10.770 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.223 -5.587 10.066 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.210 -6.099 12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.920 -4.388 12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.365 -3.930 12.283 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.666 -5.635 12.012 1.00 0.00 H new ATOM 229 N GLU A 36 -0.810 -2.581 10.267 1.00 0.00 N ATOM 230 CA GLU A 36 -0.871 -1.185 9.877 1.00 0.00 C ATOM 231 C GLU A 36 -1.200 -1.136 8.386 1.00 0.00 C ATOM 232 O GLU A 36 -2.298 -0.743 8.010 1.00 0.00 O ATOM 233 CB GLU A 36 0.483 -0.527 10.201 1.00 0.00 C ATOM 234 CG GLU A 36 0.603 0.918 9.686 1.00 0.00 C ATOM 235 CD GLU A 36 1.956 1.546 10.021 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.911 0.772 10.261 1.00 0.00 O ATOM 237 OE2 GLU A 36 2.014 2.794 10.019 1.00 0.00 O ATOM 0 H GLU A 36 0.077 -2.834 10.704 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.641 -0.636 10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.631 -0.533 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.283 -1.127 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.458 0.929 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.193 1.523 10.121 1.00 0.00 H new ATOM 238 N LEU A 37 -0.263 -1.581 7.543 1.00 0.00 N ATOM 239 CA LEU A 37 -0.406 -1.586 6.101 1.00 0.00 C ATOM 240 C LEU A 37 -1.769 -2.131 5.654 1.00 0.00 C ATOM 241 O LEU A 37 -2.404 -1.568 4.765 1.00 0.00 O ATOM 242 CB LEU A 37 0.726 -2.401 5.447 1.00 0.00 C ATOM 243 CG LEU A 37 2.162 -1.889 5.680 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.145 -3.050 5.838 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.639 -1.076 4.478 1.00 0.00 C ATOM 0 H LEU A 37 0.632 -1.954 7.860 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.341 -0.549 5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.665 -3.426 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.546 -2.435 4.373 1.00 0.00 H new ATOM 0 HG LEU A 37 2.136 -1.283 6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.149 -2.657 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.852 -3.662 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.136 -3.660 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.654 -0.722 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.626 -1.703 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.978 -0.222 4.331 1.00 0.00 H new ATOM 246 N TYR A 38 -2.234 -3.214 6.276 1.00 0.00 N ATOM 247 CA TYR A 38 -3.486 -3.857 5.937 1.00 0.00 C ATOM 248 C TYR A 38 -4.675 -3.014 6.353 1.00 0.00 C ATOM 249 O TYR A 38 -5.628 -2.879 5.595 1.00 0.00 O ATOM 250 CB TYR A 38 -3.539 -5.202 6.649 1.00 0.00 C ATOM 251 CG TYR A 38 -4.895 -5.877 6.606 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.452 -6.291 5.380 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.688 -5.879 7.769 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.780 -6.752 5.330 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.017 -6.321 7.714 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.564 -6.759 6.499 1.00 0.00 C ATOM 257 OH TYR A 38 -8.866 -7.152 6.476 1.00 0.00 O ATOM 0 H TYR A 38 -1.737 -3.670 7.041 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.536 -3.987 4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.801 -5.867 6.200 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.249 -5.060 7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.859 -6.254 4.478 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.271 -5.539 8.706 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.197 -7.100 4.397 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.621 -6.324 8.609 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.998 -7.805 5.758 1.00 0.00 H new ATOM 258 N LYS A 39 -4.638 -2.477 7.567 1.00 0.00 N ATOM 259 CA LYS A 39 -5.726 -1.666 8.088 1.00 0.00 C ATOM 260 C LYS A 39 -5.837 -0.399 7.246 1.00 0.00 C ATOM 261 O LYS A 39 -6.932 0.066 6.928 1.00 0.00 O ATOM 262 CB LYS A 39 -5.457 -1.352 9.566 1.00 0.00 C ATOM 263 CG LYS A 39 -6.619 -0.594 10.220 1.00 0.00 C ATOM 264 CD LYS A 39 -6.322 -0.375 11.708 1.00 0.00 C ATOM 265 CE LYS A 39 -7.473 0.378 12.382 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.207 0.594 13.814 1.00 0.00 N ATOM 0 H LYS A 39 -3.857 -2.592 8.213 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.675 -2.198 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.282 -2.282 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.546 -0.759 9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.765 0.365 9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.545 -1.157 10.103 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.172 -1.336 12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.396 0.189 11.820 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.620 1.339 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.398 -0.186 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.005 1.106 14.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.091 -0.324 14.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.337 1.153 13.925 1.00 0.00 H new ATOM 267 N LYS A 40 -4.686 0.148 6.864 1.00 0.00 N ATOM 268 CA LYS A 40 -4.591 1.350 6.082 1.00 0.00 C ATOM 269 C LYS A 40 -5.140 1.051 4.683 1.00 0.00 C ATOM 270 O LYS A 40 -5.995 1.781 4.178 1.00 0.00 O ATOM 271 CB LYS A 40 -3.123 1.770 6.126 1.00 0.00 C ATOM 272 CG LYS A 40 -2.649 2.148 7.548 1.00 0.00 C ATOM 273 CD LYS A 40 -2.972 3.577 8.007 1.00 0.00 C ATOM 274 CE LYS A 40 -2.047 4.635 7.398 1.00 0.00 C ATOM 275 NZ LYS A 40 -0.629 4.446 7.763 1.00 0.00 N ATOM 0 H LYS A 40 -3.778 -0.252 7.102 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.183 2.185 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.506 0.956 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.973 2.620 5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.096 1.450 8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.569 2.006 7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.003 3.811 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.902 3.626 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.143 4.611 6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.371 5.623 7.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.096 5.312 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.556 4.243 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.234 3.650 7.222 1.00 0.00 H new ATOM 276 N MET A 41 -4.702 -0.051 4.062 1.00 0.00 N ATOM 277 CA MET A 41 -5.223 -0.425 2.764 1.00 0.00 C ATOM 278 C MET A 41 -6.713 -0.704 2.865 1.00 0.00 C ATOM 279 O MET A 41 -7.432 -0.322 1.959 1.00 0.00 O ATOM 280 CB MET A 41 -4.508 -1.650 2.209 1.00 0.00 C ATOM 281 CG MET A 41 -3.236 -1.224 1.481 1.00 0.00 C ATOM 282 SD MET A 41 -2.405 -2.547 0.574 1.00 0.00 S ATOM 283 CE MET A 41 -1.926 -3.587 1.960 1.00 0.00 C ATOM 0 H MET A 41 -3.998 -0.684 4.440 1.00 0.00 H new ATOM 0 HA MET A 41 -5.050 0.407 2.081 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.261 -2.336 3.019 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.166 -2.187 1.526 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.484 -0.424 0.783 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.539 -0.808 2.209 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.128 -4.262 1.650 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.573 -2.961 2.780 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.785 -4.169 2.292 1.00 0.00 H new ATOM 284 N LYS A 42 -7.194 -1.364 3.920 1.00 0.00 N ATOM 285 CA LYS A 42 -8.617 -1.623 4.083 1.00 0.00 C ATOM 286 C LYS A 42 -9.338 -0.272 4.104 1.00 0.00 C ATOM 287 O LYS A 42 -10.363 -0.094 3.449 1.00 0.00 O ATOM 288 CB LYS A 42 -8.860 -2.444 5.357 1.00 0.00 C ATOM 289 CG LYS A 42 -10.316 -2.918 5.429 1.00 0.00 C ATOM 290 CD LYS A 42 -10.528 -3.824 6.648 1.00 0.00 C ATOM 291 CE LYS A 42 -11.908 -4.492 6.612 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.003 -3.505 6.592 1.00 0.00 N ATOM 0 H LYS A 42 -6.612 -1.728 4.675 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.010 -2.216 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.191 -3.305 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.625 -1.841 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.982 -2.057 5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.574 -3.458 4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.752 -4.589 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.429 -3.237 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.979 -5.129 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.020 -5.139 7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.915 -3.996 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.884 -2.839 7.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.984 -2.983 5.693 1.00 0.00 H new ATOM 293 N GLY A 43 -8.774 0.692 4.838 1.00 0.00 N ATOM 294 CA GLY A 43 -9.295 2.037 4.917 1.00 0.00 C ATOM 295 C GLY A 43 -9.451 2.637 3.516 1.00 0.00 C ATOM 296 O GLY A 43 -10.510 3.184 3.209 1.00 0.00 O ATOM 0 H GLY A 43 -7.933 0.546 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.259 2.030 5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.625 2.658 5.512 1.00 0.00 H new ATOM 297 N TYR A 44 -8.411 2.560 2.672 1.00 0.00 N ATOM 298 CA TYR A 44 -8.494 3.087 1.312 1.00 0.00 C ATOM 299 C TYR A 44 -9.506 2.263 0.499 1.00 0.00 C ATOM 300 O TYR A 44 -10.415 2.818 -0.107 1.00 0.00 O ATOM 301 CB TYR A 44 -7.106 3.075 0.644 1.00 0.00 C ATOM 302 CG TYR A 44 -6.054 4.007 1.225 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.326 5.376 1.408 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.737 3.546 1.418 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.367 6.201 2.015 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.736 4.418 1.878 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.060 5.737 2.214 1.00 0.00 C ATOM 308 OH TYR A 44 -3.129 6.554 2.779 1.00 0.00 O ATOM 0 H TYR A 44 -7.512 2.141 2.909 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.837 4.121 1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.718 2.057 0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.235 3.323 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.269 5.790 1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.495 2.514 1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.637 7.198 2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.718 4.071 1.972 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.324 6.662 3.733 1.00 0.00 H new ATOM 309 N ALA A 45 -9.362 0.935 0.514 1.00 0.00 N ATOM 310 CA ALA A 45 -10.177 -0.061 -0.178 1.00 0.00 C ATOM 311 C ALA A 45 -11.666 0.258 -0.020 1.00 0.00 C ATOM 312 O ALA A 45 -12.396 0.370 -1.002 1.00 0.00 O ATOM 313 CB ALA A 45 -9.909 -1.459 0.389 1.00 0.00 C ATOM 0 H ALA A 45 -8.614 0.497 1.052 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.909 -0.036 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.524 -2.189 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.856 -1.709 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.156 -1.475 1.451 1.00 0.00 H new ATOM 314 N ASP A 46 -12.097 0.422 1.236 1.00 0.00 N ATOM 315 CA ASP A 46 -13.484 0.689 1.604 1.00 0.00 C ATOM 316 C ASP A 46 -13.821 2.185 1.591 1.00 0.00 C ATOM 317 O ASP A 46 -14.906 2.562 2.027 1.00 0.00 O ATOM 318 CB ASP A 46 -13.748 0.115 3.008 1.00 0.00 C ATOM 319 CG ASP A 46 -13.501 -1.388 3.128 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.608 -2.085 2.096 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.220 -1.821 4.267 1.00 0.00 O ATOM 0 H ASP A 46 -11.473 0.371 2.041 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.122 0.210 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.113 0.634 3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.781 0.325 3.286 1.00 0.00 H new ATOM 322 N GLY A 47 -12.912 3.051 1.132 1.00 0.00 N ATOM 323 CA GLY A 47 -13.123 4.492 1.086 1.00 0.00 C ATOM 324 C GLY A 47 -13.438 5.084 2.462 1.00 0.00 C ATOM 325 O GLY A 47 -14.146 6.084 2.557 1.00 0.00 O ATOM 0 H GLY A 47 -12.000 2.762 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.232 4.973 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.943 4.714 0.403 1.00 0.00 H new ATOM 326 N SER A 48 -12.900 4.480 3.526 1.00 0.00 N ATOM 327 CA SER A 48 -13.095 4.909 4.905 1.00 0.00 C ATOM 328 C SER A 48 -11.905 5.736 5.402 1.00 0.00 C ATOM 329 O SER A 48 -11.999 6.341 6.468 1.00 0.00 O ATOM 330 CB SER A 48 -13.299 3.680 5.795 1.00 0.00 C ATOM 331 OG SER A 48 -13.647 4.083 7.106 1.00 0.00 O ATOM 0 H SER A 48 -12.302 3.658 3.445 1.00 0.00 H new ATOM 0 HA SER A 48 -13.980 5.544 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.083 3.047 5.380 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.387 3.083 5.819 1.00 0.00 H new ATOM 0 HG SER A 48 -13.286 4.977 7.280 1.00 0.00 H new ATOM 332 N TYR A 49 -10.781 5.713 4.682 1.00 0.00 N ATOM 333 CA TYR A 49 -9.564 6.449 4.990 1.00 0.00 C ATOM 334 C TYR A 49 -9.092 7.059 3.681 1.00 0.00 C ATOM 335 O TYR A 49 -9.024 6.342 2.687 1.00 0.00 O ATOM 336 CB TYR A 49 -8.498 5.473 5.513 1.00 0.00 C ATOM 337 CG TYR A 49 -7.063 5.970 5.614 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.749 7.253 6.104 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.021 5.115 5.207 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.410 7.690 6.125 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.685 5.540 5.262 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.378 6.843 5.681 1.00 0.00 C ATOM 343 OH TYR A 49 -3.085 7.282 5.679 1.00 0.00 O ATOM 0 H TYR A 49 -10.696 5.155 3.832 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.738 7.213 5.748 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.807 5.141 6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.503 4.595 4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.535 7.901 6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.252 4.123 4.849 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.174 8.681 6.484 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.892 4.863 4.981 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.819 7.520 6.592 1.00 0.00 H new ATOM 372 N LYS A 54 -4.183 10.148 -1.398 1.00 0.00 N ATOM 373 CA LYS A 54 -4.814 8.936 -0.955 1.00 0.00 C ATOM 374 C LYS A 54 -5.918 8.470 -1.937 1.00 0.00 C ATOM 375 O LYS A 54 -6.389 7.333 -1.842 1.00 0.00 O ATOM 376 CB LYS A 54 -5.329 9.293 0.430 1.00 0.00 C ATOM 377 CG LYS A 54 -4.194 9.510 1.451 1.00 0.00 C ATOM 378 CD LYS A 54 -4.705 9.976 2.824 1.00 0.00 C ATOM 379 CE LYS A 54 -3.559 10.306 3.788 1.00 0.00 C ATOM 380 NZ LYS A 54 -2.808 11.505 3.375 1.00 0.00 N ATOM 0 HA LYS A 54 -4.140 8.080 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.932 10.199 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.984 8.498 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.639 8.580 1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.496 10.249 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.334 10.857 2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.331 9.198 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.962 10.460 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.879 9.456 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.134 11.767 4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.289 11.304 2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.470 12.291 3.214 1.00 0.00 H new ATOM 381 N ALA A 55 -6.344 9.313 -2.891 1.00 0.00 N ATOM 382 CA ALA A 55 -7.338 8.935 -3.884 1.00 0.00 C ATOM 383 C ALA A 55 -6.659 8.025 -4.905 1.00 0.00 C ATOM 384 O ALA A 55 -7.259 7.054 -5.360 1.00 0.00 O ATOM 385 CB ALA A 55 -7.931 10.170 -4.567 1.00 0.00 C ATOM 0 H ALA A 55 -6.005 10.270 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.163 8.411 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.671 9.858 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.408 10.805 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.137 10.728 -5.063 1.00 0.00 H new ATOM 386 N MET A 56 -5.401 8.327 -5.258 1.00 0.00 N ATOM 387 CA MET A 56 -4.635 7.497 -6.182 1.00 0.00 C ATOM 388 C MET A 56 -4.512 6.115 -5.542 1.00 0.00 C ATOM 389 O MET A 56 -4.707 5.085 -6.185 1.00 0.00 O ATOM 390 CB MET A 56 -3.253 8.111 -6.440 1.00 0.00 C ATOM 391 CG MET A 56 -3.353 9.514 -7.048 1.00 0.00 C ATOM 392 SD MET A 56 -1.764 10.205 -7.567 1.00 0.00 S ATOM 393 CE MET A 56 -2.279 11.878 -8.007 1.00 0.00 C ATOM 0 H MET A 56 -4.897 9.144 -4.913 1.00 0.00 H new ATOM 0 HA MET A 56 -5.134 7.426 -7.148 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.698 8.160 -5.503 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.688 7.464 -7.112 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.021 9.479 -7.909 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.808 10.184 -6.318 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.415 12.446 -8.351 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.023 11.832 -8.802 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.711 12.367 -7.134 1.00 0.00 H new ATOM 394 N MET A 57 -4.215 6.126 -4.240 1.00 0.00 N ATOM 395 CA MET A 57 -4.109 4.930 -3.432 1.00 0.00 C ATOM 396 C MET A 57 -5.401 4.134 -3.551 1.00 0.00 C ATOM 397 O MET A 57 -5.383 3.009 -4.036 1.00 0.00 O ATOM 398 CB MET A 57 -3.830 5.333 -1.978 1.00 0.00 C ATOM 399 CG MET A 57 -2.337 5.301 -1.674 1.00 0.00 C ATOM 400 SD MET A 57 -1.573 3.707 -2.019 1.00 0.00 S ATOM 401 CE MET A 57 -2.550 2.560 -1.026 1.00 0.00 C ATOM 0 H MET A 57 -4.040 6.985 -3.719 1.00 0.00 H new ATOM 0 HA MET A 57 -3.288 4.302 -3.777 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.220 6.334 -1.794 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.356 4.657 -1.303 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.837 6.070 -2.262 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.182 5.551 -0.624 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.303 1.536 -1.305 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.328 2.713 0.030 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.611 2.738 -1.203 1.00 0.00 H new ATOM 402 N THR A 58 -6.519 4.725 -3.126 1.00 0.00 N ATOM 403 CA THR A 58 -7.844 4.125 -3.208 1.00 0.00 C ATOM 404 C THR A 58 -8.063 3.518 -4.597 1.00 0.00 C ATOM 405 O THR A 58 -8.441 2.352 -4.712 1.00 0.00 O ATOM 406 CB THR A 58 -8.888 5.204 -2.881 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.644 5.702 -1.578 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.313 4.650 -2.949 1.00 0.00 C ATOM 0 H THR A 58 -6.524 5.655 -2.707 1.00 0.00 H new ATOM 0 HA THR A 58 -7.942 3.314 -2.487 1.00 0.00 H new ATOM 0 HB THR A 58 -8.799 5.999 -3.621 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.941 6.383 -1.615 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.023 5.442 -2.712 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.510 4.275 -3.953 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.422 3.838 -2.230 1.00 0.00 H new ATOM 409 N ASN A 59 -7.790 4.299 -5.647 1.00 0.00 N ATOM 410 CA ASN A 59 -7.944 3.856 -7.025 1.00 0.00 C ATOM 411 C ASN A 59 -7.118 2.597 -7.298 1.00 0.00 C ATOM 412 O ASN A 59 -7.590 1.709 -8.003 1.00 0.00 O ATOM 413 CB ASN A 59 -7.570 4.980 -7.995 1.00 0.00 C ATOM 414 CG ASN A 59 -7.608 4.480 -9.436 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.673 4.362 -10.032 1.00 0.00 O ATOM 416 ND2 ASN A 59 -6.448 4.171 -10.008 1.00 0.00 N ATOM 0 H ASN A 59 -7.455 5.258 -5.559 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.992 3.602 -7.184 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.260 5.815 -7.876 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.573 5.354 -7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.429 3.826 -10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.578 4.280 -9.487 1.00 0.00 H new ATOM 417 N ALA A 60 -5.894 2.504 -6.770 1.00 0.00 N ATOM 418 CA ALA A 60 -5.081 1.316 -6.980 1.00 0.00 C ATOM 419 C ALA A 60 -5.675 0.158 -6.175 1.00 0.00 C ATOM 420 O ALA A 60 -6.062 -0.876 -6.709 1.00 0.00 O ATOM 421 CB ALA A 60 -3.633 1.591 -6.550 1.00 0.00 C ATOM 0 H ALA A 60 -5.454 3.229 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.077 1.050 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.030 0.697 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.228 2.413 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.612 1.859 -5.494 1.00 0.00 H new ATOM 422 N VAL A 61 -5.772 0.370 -4.867 1.00 0.00 N ATOM 423 CA VAL A 61 -6.241 -0.564 -3.863 1.00 0.00 C ATOM 424 C VAL A 61 -7.568 -1.234 -4.232 1.00 0.00 C ATOM 425 O VAL A 61 -7.681 -2.443 -4.039 1.00 0.00 O ATOM 426 CB VAL A 61 -6.267 0.186 -2.526 1.00 0.00 C ATOM 427 CG1 VAL A 61 -6.934 -0.565 -1.382 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.817 0.411 -2.091 1.00 0.00 C ATOM 0 H VAL A 61 -5.505 1.265 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.560 -1.411 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.840 1.096 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.903 0.045 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.971 -0.777 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.406 -1.502 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.801 0.944 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.318 -0.551 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.298 1.001 -2.846 1.00 0.00 H new ATOM 429 N LYS A 62 -8.554 -0.513 -4.781 1.00 0.00 N ATOM 430 CA LYS A 62 -9.837 -1.139 -5.120 1.00 0.00 C ATOM 431 C LYS A 62 -9.691 -2.354 -6.054 1.00 0.00 C ATOM 432 O LYS A 62 -10.581 -3.199 -6.092 1.00 0.00 O ATOM 433 CB LYS A 62 -10.827 -0.120 -5.704 1.00 0.00 C ATOM 434 CG LYS A 62 -10.338 0.614 -6.958 1.00 0.00 C ATOM 435 CD LYS A 62 -11.537 1.113 -7.778 1.00 0.00 C ATOM 436 CE LYS A 62 -11.144 2.173 -8.816 1.00 0.00 C ATOM 437 NZ LYS A 62 -9.995 1.759 -9.640 1.00 0.00 N ATOM 0 H LYS A 62 -8.491 0.482 -4.996 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.241 -1.513 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.757 -0.636 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.060 0.618 -4.937 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.707 1.456 -6.673 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.725 -0.053 -7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.002 0.268 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.285 1.530 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.997 2.376 -9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.903 3.105 -8.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.685 2.558 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.214 1.461 -9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.274 0.966 -10.252 1.00 0.00 H new ATOM 438 N LYS A 63 -8.597 -2.454 -6.819 1.00 0.00 N ATOM 439 CA LYS A 63 -8.365 -3.591 -7.704 1.00 0.00 C ATOM 440 C LYS A 63 -8.183 -4.894 -6.914 1.00 0.00 C ATOM 441 O LYS A 63 -8.446 -5.978 -7.430 1.00 0.00 O ATOM 442 CB LYS A 63 -7.105 -3.295 -8.536 1.00 0.00 C ATOM 443 CG LYS A 63 -6.504 -4.532 -9.209 1.00 0.00 C ATOM 444 CD LYS A 63 -5.474 -4.104 -10.263 1.00 0.00 C ATOM 445 CE LYS A 63 -4.736 -5.302 -10.870 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.872 -5.975 -9.883 1.00 0.00 N ATOM 0 H LYS A 63 -7.856 -1.753 -6.839 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.232 -3.727 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.351 -2.560 -9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.352 -2.843 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.030 -5.169 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.292 -5.122 -9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.976 -3.549 -11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.751 -3.426 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.462 -6.014 -11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.131 -4.967 -11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.093 -6.457 -10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.482 -5.270 -9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.430 -6.673 -9.352 1.00 0.00 H new ATOM 447 N TYR A 64 -7.690 -4.788 -5.683 1.00 0.00 N ATOM 448 CA TYR A 64 -7.361 -5.863 -4.796 1.00 0.00 C ATOM 449 C TYR A 64 -8.472 -6.065 -3.773 1.00 0.00 C ATOM 450 O TYR A 64 -9.122 -5.136 -3.301 1.00 0.00 O ATOM 451 CB TYR A 64 -6.037 -5.506 -4.115 1.00 0.00 C ATOM 452 CG TYR A 64 -4.929 -5.148 -5.088 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.191 -6.157 -5.724 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.750 -3.811 -5.486 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.195 -5.817 -6.653 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.800 -3.475 -6.462 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.000 -4.480 -7.032 1.00 0.00 C ATOM 458 OH TYR A 64 -2.152 -4.213 -8.067 1.00 0.00 O ATOM 0 H TYR A 64 -7.502 -3.877 -5.264 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.257 -6.800 -5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.201 -4.666 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.714 -6.349 -3.504 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.389 -7.195 -5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.350 -3.035 -5.035 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.574 -6.591 -7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.684 -2.448 -6.774 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.419 -3.644 -7.751 1.00 0.00 H new ATOM 459 N SER A 65 -8.653 -7.333 -3.449 1.00 0.00 N ATOM 460 CA SER A 65 -9.607 -7.883 -2.500 1.00 0.00 C ATOM 461 C SER A 65 -8.904 -8.119 -1.165 1.00 0.00 C ATOM 462 O SER A 65 -7.678 -8.138 -1.119 1.00 0.00 O ATOM 463 CB SER A 65 -10.162 -9.192 -3.069 1.00 0.00 C ATOM 464 OG SER A 65 -9.127 -10.143 -3.232 1.00 0.00 O ATOM 0 H SER A 65 -8.089 -8.066 -3.879 1.00 0.00 H new ATOM 0 HA SER A 65 -10.433 -7.192 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.927 -9.590 -2.402 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.643 -9.003 -4.028 1.00 0.00 H new ATOM 0 HG SER A 65 -8.606 -9.925 -4.033 1.00 0.00 H new ATOM 465 N ASP A 66 -9.667 -8.334 -0.090 1.00 0.00 N ATOM 466 CA ASP A 66 -9.151 -8.558 1.259 1.00 0.00 C ATOM 467 C ASP A 66 -7.912 -9.464 1.292 1.00 0.00 C ATOM 468 O ASP A 66 -6.899 -9.112 1.893 1.00 0.00 O ATOM 469 CB ASP A 66 -10.263 -9.165 2.118 1.00 0.00 C ATOM 470 CG ASP A 66 -9.766 -9.397 3.537 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.642 -8.383 4.255 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.505 -10.572 3.868 1.00 0.00 O ATOM 0 H ASP A 66 -10.686 -8.357 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.835 -7.592 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.126 -8.499 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.595 -10.108 1.683 1.00 0.00 H new ATOM 473 N GLU A 67 -7.989 -10.623 0.634 1.00 0.00 N ATOM 474 CA GLU A 67 -6.895 -11.585 0.588 1.00 0.00 C ATOM 475 C GLU A 67 -5.651 -10.942 -0.032 1.00 0.00 C ATOM 476 O GLU A 67 -4.554 -11.007 0.520 1.00 0.00 O ATOM 477 CB GLU A 67 -7.368 -12.819 -0.201 1.00 0.00 C ATOM 478 CG GLU A 67 -6.324 -13.947 -0.286 1.00 0.00 C ATOM 479 CD GLU A 67 -5.256 -13.710 -1.353 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.638 -13.456 -2.517 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.055 -13.792 -1.012 1.00 0.00 O ATOM 0 H GLU A 67 -8.817 -10.918 0.117 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.616 -11.901 1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.273 -13.210 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.637 -12.510 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.839 -14.056 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.833 -14.888 -0.496 1.00 0.00 H new ATOM 482 N GLU A 68 -5.822 -10.330 -1.203 1.00 0.00 N ATOM 483 CA GLU A 68 -4.744 -9.677 -1.920 1.00 0.00 C ATOM 484 C GLU A 68 -4.148 -8.554 -1.071 1.00 0.00 C ATOM 485 O GLU A 68 -2.931 -8.428 -0.990 1.00 0.00 O ATOM 486 CB GLU A 68 -5.295 -9.146 -3.239 1.00 0.00 C ATOM 487 CG GLU A 68 -5.710 -10.274 -4.188 1.00 0.00 C ATOM 488 CD GLU A 68 -6.375 -9.695 -5.428 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.547 -9.284 -5.281 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.697 -9.649 -6.475 1.00 0.00 O ATOM 0 H GLU A 68 -6.723 -10.277 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.943 -10.386 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.155 -8.506 -3.040 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.540 -8.526 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.836 -10.859 -4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.396 -10.953 -3.681 1.00 0.00 H new ATOM 491 N LEU A 69 -4.997 -7.742 -0.441 1.00 0.00 N ATOM 492 CA LEU A 69 -4.580 -6.651 0.426 1.00 0.00 C ATOM 493 C LEU A 69 -3.734 -7.202 1.575 1.00 0.00 C ATOM 494 O LEU A 69 -2.654 -6.687 1.867 1.00 0.00 O ATOM 495 CB LEU A 69 -5.825 -5.933 0.964 1.00 0.00 C ATOM 496 CG LEU A 69 -6.619 -5.135 -0.076 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.762 -4.405 0.636 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.758 -4.115 -0.813 1.00 0.00 C ATOM 0 H LEU A 69 -6.010 -7.829 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.976 -5.938 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.487 -6.674 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.518 -5.256 1.761 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.997 -5.838 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.337 -3.832 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.413 -5.133 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.351 -3.730 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.370 -3.578 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.339 -3.408 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.949 -4.629 -1.332 1.00 0.00 H new ATOM 499 N LYS A 70 -4.216 -8.260 2.228 1.00 0.00 N ATOM 500 CA LYS A 70 -3.498 -8.881 3.327 1.00 0.00 C ATOM 501 C LYS A 70 -2.154 -9.425 2.831 1.00 0.00 C ATOM 502 O LYS A 70 -1.140 -9.276 3.514 1.00 0.00 O ATOM 503 CB LYS A 70 -4.372 -9.987 3.939 1.00 0.00 C ATOM 504 CG LYS A 70 -3.895 -10.447 5.324 1.00 0.00 C ATOM 505 CD LYS A 70 -4.164 -9.378 6.393 1.00 0.00 C ATOM 506 CE LYS A 70 -3.868 -9.908 7.798 1.00 0.00 C ATOM 507 NZ LYS A 70 -4.157 -8.884 8.817 1.00 0.00 N ATOM 0 H LYS A 70 -5.108 -8.703 2.008 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.286 -8.145 4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.398 -9.627 4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.386 -10.843 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.403 -11.372 5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.828 -10.668 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.548 -8.501 6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.204 -9.057 6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.468 -10.797 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.822 -10.209 7.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.272 -8.595 9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.596 -8.057 8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.808 -9.275 9.528 1.00 0.00 H new ATOM 508 N ALA A 71 -2.132 -10.028 1.636 1.00 0.00 N ATOM 509 CA ALA A 71 -0.918 -10.585 1.067 1.00 0.00 C ATOM 510 C ALA A 71 0.055 -9.452 0.768 1.00 0.00 C ATOM 511 O ALA A 71 1.249 -9.574 1.038 1.00 0.00 O ATOM 512 CB ALA A 71 -1.248 -11.386 -0.192 1.00 0.00 C ATOM 0 H ALA A 71 -2.956 -10.139 1.045 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.451 -11.267 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.331 -11.799 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.929 -12.198 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.720 -10.732 -0.926 1.00 0.00 H new ATOM 513 N LEU A 72 -0.446 -8.346 0.210 1.00 0.00 N ATOM 514 CA LEU A 72 0.384 -7.198 -0.070 1.00 0.00 C ATOM 515 C LEU A 72 1.020 -6.739 1.229 1.00 0.00 C ATOM 516 O LEU A 72 2.238 -6.735 1.327 1.00 0.00 O ATOM 517 CB LEU A 72 -0.493 -6.089 -0.634 1.00 0.00 C ATOM 518 CG LEU A 72 -0.534 -6.207 -2.147 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.532 -5.195 -2.657 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.821 -5.811 -2.709 1.00 0.00 C ATOM 0 H LEU A 72 -1.425 -8.233 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 72 1.161 -7.449 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.500 -6.161 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.100 -5.115 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.794 -7.225 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.586 -5.253 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.514 -5.406 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.218 -4.194 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.802 -5.892 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.046 -4.783 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.589 -6.473 -2.309 1.00 0.00 H new ATOM 521 N ALA A 73 0.201 -6.391 2.225 1.00 0.00 N ATOM 522 CA ALA A 73 0.689 -5.911 3.510 1.00 0.00 C ATOM 523 C ALA A 73 1.745 -6.867 4.071 1.00 0.00 C ATOM 524 O ALA A 73 2.812 -6.428 4.493 1.00 0.00 O ATOM 525 CB ALA A 73 -0.488 -5.794 4.480 1.00 0.00 C ATOM 0 H ALA A 73 -0.816 -6.436 2.159 1.00 0.00 H new ATOM 0 HA ALA A 73 1.151 -4.933 3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.130 -5.435 5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.220 -5.092 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.954 -6.771 4.607 1.00 0.00 H new ATOM 526 N ASP A 74 1.442 -8.169 4.099 1.00 0.00 N ATOM 527 CA ASP A 74 2.382 -9.192 4.536 1.00 0.00 C ATOM 528 C ASP A 74 3.701 -9.030 3.769 1.00 0.00 C ATOM 529 O ASP A 74 4.768 -9.091 4.376 1.00 0.00 O ATOM 530 CB ASP A 74 1.781 -10.583 4.315 1.00 0.00 C ATOM 531 CG ASP A 74 2.804 -11.674 4.605 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.121 -11.856 5.800 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.270 -12.293 3.624 1.00 0.00 O ATOM 0 H ASP A 74 0.534 -8.538 3.817 1.00 0.00 H new ATOM 0 HA ASP A 74 2.583 -9.079 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.912 -10.714 4.960 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.431 -10.672 3.287 1.00 0.00 H new ATOM 534 N TYR A 75 3.646 -8.809 2.450 1.00 0.00 N ATOM 535 CA TYR A 75 4.864 -8.591 1.682 1.00 0.00 C ATOM 536 C TYR A 75 5.511 -7.273 2.126 1.00 0.00 C ATOM 537 O TYR A 75 6.690 -7.287 2.466 1.00 0.00 O ATOM 538 CB TYR A 75 4.646 -8.613 0.161 1.00 0.00 C ATOM 539 CG TYR A 75 5.943 -8.255 -0.544 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.080 -9.032 -0.242 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.121 -6.931 -0.994 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.348 -8.431 -0.166 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.402 -6.352 -0.984 1.00 0.00 C ATOM 544 CZ TYR A 75 8.495 -7.071 -0.473 1.00 0.00 C ATOM 545 OH TYR A 75 9.674 -6.433 -0.231 1.00 0.00 O ATOM 0 H TYR A 75 2.784 -8.778 1.906 1.00 0.00 H new ATOM 0 HA TYR A 75 5.533 -9.426 1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.309 -9.601 -0.154 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.863 -7.906 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.976 -10.093 -0.068 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.274 -6.362 -1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.207 -9.015 0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.546 -5.353 -1.370 1.00 0.00 H new ATOM 0 HH TYR A 75 9.956 -6.605 0.692 1.00 0.00 H new ATOM 546 N MET A 76 4.803 -6.131 2.106 1.00 0.00 N ATOM 547 CA MET A 76 5.381 -4.872 2.579 1.00 0.00 C ATOM 548 C MET A 76 5.995 -4.988 3.984 1.00 0.00 C ATOM 549 O MET A 76 6.895 -4.237 4.343 1.00 0.00 O ATOM 550 CB MET A 76 4.322 -3.775 2.592 1.00 0.00 C ATOM 551 CG MET A 76 4.032 -3.239 1.189 1.00 0.00 C ATOM 552 SD MET A 76 2.590 -3.931 0.360 1.00 0.00 S ATOM 553 CE MET A 76 1.340 -2.736 0.848 1.00 0.00 C ATOM 0 H MET A 76 3.842 -6.058 1.771 1.00 0.00 H new ATOM 0 HA MET A 76 6.182 -4.621 1.884 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.402 -4.165 3.028 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.656 -2.957 3.230 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.905 -2.158 1.254 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.907 -3.420 0.565 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.465 -2.843 0.207 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.054 -2.912 1.885 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.742 -1.728 0.749 1.00 0.00 H new ATOM 554 N SER A 77 5.507 -5.901 4.817 1.00 0.00 N ATOM 555 CA SER A 77 6.102 -6.107 6.135 1.00 0.00 C ATOM 556 C SER A 77 7.603 -6.437 5.993 1.00 0.00 C ATOM 557 O SER A 77 8.402 -6.141 6.878 1.00 0.00 O ATOM 558 CB SER A 77 5.355 -7.234 6.852 1.00 0.00 C ATOM 559 OG SER A 77 5.623 -7.201 8.239 1.00 0.00 O ATOM 0 H SER A 77 4.711 -6.504 4.608 1.00 0.00 H new ATOM 0 HA SER A 77 6.015 -5.196 6.727 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.283 -7.135 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.656 -8.197 6.440 1.00 0.00 H new ATOM 0 HG SER A 77 5.288 -6.361 8.617 1.00 0.00 H new ATOM 560 N LYS A 78 7.978 -7.044 4.861 1.00 0.00 N ATOM 561 CA LYS A 78 9.321 -7.445 4.473 1.00 0.00 C ATOM 562 C LYS A 78 9.837 -6.501 3.371 1.00 0.00 C ATOM 563 O LYS A 78 10.430 -6.950 2.386 1.00 0.00 O ATOM 564 CB LYS A 78 9.271 -8.905 3.982 1.00 0.00 C ATOM 565 CG LYS A 78 8.415 -9.799 4.892 1.00 0.00 C ATOM 566 CD LYS A 78 8.439 -11.256 4.415 1.00 0.00 C ATOM 567 CE LYS A 78 7.395 -12.093 5.165 1.00 0.00 C ATOM 568 NZ LYS A 78 6.017 -11.736 4.776 1.00 0.00 N ATOM 0 H LYS A 78 7.293 -7.282 4.143 1.00 0.00 H new ATOM 0 HA LYS A 78 10.005 -7.380 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.869 -8.931 2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.284 -9.304 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.785 -9.742 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.388 -9.434 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.242 -11.296 3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.431 -11.678 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.566 -13.151 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.518 -11.949 6.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.345 -12.359 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.828 -10.747 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.906 -11.850 3.748 1.00 0.00 H new ATOM 569 N LEU A 79 9.556 -5.203 3.511 1.00 0.00 N ATOM 570 CA LEU A 79 9.964 -4.147 2.593 1.00 0.00 C ATOM 571 C LEU A 79 11.272 -3.524 3.067 1.00 0.00 C ATOM 572 O LEU A 79 12.110 -3.205 2.196 1.00 0.00 O ATOM 573 CB LEU A 79 8.841 -3.109 2.559 1.00 0.00 C ATOM 574 CG LEU A 79 8.829 -2.065 1.446 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.807 -2.753 0.094 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.502 -1.305 1.529 1.00 0.00 C ATOM 577 OXT LEU A 79 11.408 -3.357 4.300 1.00 0.00 O ATOM 0 H LEU A 79 9.016 -4.849 4.301 1.00 0.00 H new ATOM 0 HA LEU A 79 10.134 -4.542 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.895 -3.649 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.857 -2.576 3.510 1.00 0.00 H new ATOM 0 HG LEU A 79 9.703 -1.423 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.798 -2.002 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.693 -3.379 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.914 -3.372 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.465 -0.550 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.674 -2.003 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.421 -0.820 2.502 1.00 0.00 H new