USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 40 LYS NZ :NH3+ 180:sc= 1.37 (180deg=0.731) USER MOD Set 1.2: A 44 TYR OH : rot 147:sc= 1.57 USER MOD Set 1.3: A 49 TYR OH : rot -174:sc= 2.02 USER MOD Set 1.4: A 54 LYS NZ :NH3+ 146:sc= 2.06 (180deg=-0.109) USER MOD Set 2.1: A 41 MET CE :methyl -155:sc= -0.45 (180deg=-0.666) USER MOD Set 2.2: A 76 MET CE :methyl -138:sc= -0.375 (180deg=-2.38) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -4.06 (180deg=-9.09!) USER MOD Set 3.1: A 9 SER OG : rot -68:sc= 0.197 USER MOD Set 3.2: A 64 TYR OH : rot 130:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -127:sc= 0.288 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= -0.797 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -142:sc= 1.33 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 82:sc= 0.431 USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= 1.38 (180deg=0.507) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0446) USER MOD Single : A 32 GLN : amide:sc= -0.804 K(o=-0.8,f=-4.1!) USER MOD Single : A 38 TYR OH : rot 9:sc= 1.29 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0441) USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0.628 (180deg=0.611) USER MOD Single : A 48 SER OG : rot 180:sc= 0.256 USER MOD Single : A 56 MET CE :methyl -175:sc= 0 (180deg=-0.031) USER MOD Single : A 57 MET CE :methyl 167:sc= -3.68 (180deg=-5.21!) USER MOD Single : A 58 THR OG1 : rot -71:sc= 1.07 USER MOD Single : A 59 ASN : amide:sc= 0.0384 X(o=0.038,f=-0.018) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= 0.719 (180deg=-0.124) USER MOD Single : A 65 SER OG : rot 22:sc= 0.646 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -0.454 (180deg=-0.528) USER MOD Single : A 75 TYR OH : rot -44:sc= 1.2 USER MOD Single : A 77 SER OG : rot -31:sc= 0.134 USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 0.8 (180deg=0.695) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -3.76 (180deg=-3.76) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.701 (180deg=-0.701) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.381 (180deg=-0.795) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.323 -15.101 -5.251 1.00 0.00 N ATOM 2 CA ALA A 1 3.870 -15.226 -5.467 1.00 0.00 C ATOM 3 C ALA A 1 3.241 -13.908 -5.028 1.00 0.00 C ATOM 4 O ALA A 1 3.980 -12.923 -4.962 1.00 0.00 O ATOM 5 CB ALA A 1 3.310 -16.432 -4.703 1.00 0.00 C ATOM 0 H1 ALA A 1 5.826 -15.338 -6.130 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.550 -14.124 -4.975 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.619 -15.752 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 1 3.636 -15.409 -6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.236 -16.506 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.797 -17.342 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.498 -16.306 -3.637 1.00 0.00 H new ATOM 6 N ASP A 2 1.932 -13.856 -4.766 1.00 0.00 N ATOM 7 CA ASP A 2 1.334 -12.619 -4.285 1.00 0.00 C ATOM 8 C ASP A 2 1.951 -12.306 -2.929 1.00 0.00 C ATOM 9 O ASP A 2 2.433 -13.196 -2.230 1.00 0.00 O ATOM 10 CB ASP A 2 -0.185 -12.699 -4.325 1.00 0.00 C ATOM 11 CG ASP A 2 -0.885 -11.442 -3.816 1.00 0.00 C ATOM 12 OD1 ASP A 2 -0.246 -10.367 -3.868 1.00 0.00 O ATOM 13 OD2 ASP A 2 -2.055 -11.575 -3.401 1.00 0.00 O ATOM 0 H ASP A 2 1.285 -14.637 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 2 1.555 -11.772 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.502 -12.889 -5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.510 -13.551 -3.728 1.00 0.00 H new ATOM 14 N GLY A 3 1.964 -11.020 -2.605 1.00 0.00 N ATOM 15 CA GLY A 3 2.652 -10.479 -1.476 1.00 0.00 C ATOM 16 C GLY A 3 4.080 -10.494 -2.003 1.00 0.00 C ATOM 17 O GLY A 3 4.861 -11.410 -1.766 1.00 0.00 O ATOM 0 H GLY A 3 1.473 -10.312 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.312 -9.475 -1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.531 -11.091 -0.582 1.00 0.00 H new ATOM 18 N ALA A 4 4.320 -9.452 -2.796 1.00 0.00 N ATOM 19 CA ALA A 4 5.473 -9.106 -3.602 1.00 0.00 C ATOM 20 C ALA A 4 4.980 -8.946 -5.034 1.00 0.00 C ATOM 21 O ALA A 4 5.306 -7.944 -5.665 1.00 0.00 O ATOM 22 CB ALA A 4 6.600 -10.147 -3.566 1.00 0.00 C ATOM 0 H ALA A 4 3.602 -8.734 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 4 5.907 -8.192 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.425 -9.812 -4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.951 -10.268 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.226 -11.101 -3.936 1.00 0.00 H new ATOM 23 N ALA A 5 4.149 -9.871 -5.549 1.00 0.00 N ATOM 24 CA ALA A 5 3.732 -9.728 -6.934 1.00 0.00 C ATOM 25 C ALA A 5 2.764 -8.572 -7.108 1.00 0.00 C ATOM 26 O ALA A 5 2.857 -7.881 -8.119 1.00 0.00 O ATOM 27 CB ALA A 5 3.130 -11.029 -7.470 1.00 0.00 C ATOM 0 H ALA A 5 3.776 -10.679 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 5 4.624 -9.504 -7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.828 -10.890 -8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.873 -11.825 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.260 -11.301 -6.872 1.00 0.00 H new ATOM 28 N LEU A 6 1.855 -8.316 -6.156 1.00 0.00 N ATOM 29 CA LEU A 6 0.945 -7.220 -6.388 1.00 0.00 C ATOM 30 C LEU A 6 1.669 -5.896 -6.176 1.00 0.00 C ATOM 31 O LEU A 6 1.462 -4.939 -6.927 1.00 0.00 O ATOM 32 CB LEU A 6 -0.246 -7.390 -5.455 1.00 0.00 C ATOM 33 CG LEU A 6 -1.306 -8.363 -5.997 1.00 0.00 C ATOM 34 CD1 LEU A 6 -2.486 -8.374 -5.021 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.808 -8.005 -7.402 1.00 0.00 C ATOM 0 H LEU A 6 1.743 -8.823 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 6 0.581 -7.218 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.107 -7.749 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.708 -6.417 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.839 -9.344 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.253 -9.058 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.143 -8.701 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.903 -7.370 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.553 -8.735 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.257 -7.012 -7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.971 -8.014 -8.101 1.00 0.00 H new ATOM 36 N TYR A 7 2.563 -5.859 -5.182 1.00 0.00 N ATOM 37 CA TYR A 7 3.266 -4.639 -4.846 1.00 0.00 C ATOM 38 C TYR A 7 4.092 -4.054 -6.003 1.00 0.00 C ATOM 39 O TYR A 7 4.422 -2.867 -5.975 1.00 0.00 O ATOM 40 CB TYR A 7 4.060 -4.850 -3.551 1.00 0.00 C ATOM 41 CG TYR A 7 4.130 -3.590 -2.707 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.948 -2.885 -2.416 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.359 -3.069 -2.268 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.008 -1.570 -1.952 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.407 -1.777 -1.717 1.00 0.00 C ATOM 46 CZ TYR A 7 4.255 -0.973 -1.733 1.00 0.00 C ATOM 47 OH TYR A 7 4.345 0.372 -1.558 1.00 0.00 O ATOM 0 H TYR A 7 2.809 -6.663 -4.604 1.00 0.00 H new ATOM 0 HA TYR A 7 2.526 -3.860 -4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.598 -5.649 -2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.070 -5.177 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.989 -3.364 -2.552 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.261 -3.657 -2.353 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.099 -1.017 -1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.324 -1.405 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 7 3.520 0.704 -1.146 1.00 0.00 H new ATOM 48 N LYS A 8 4.397 -4.841 -7.041 1.00 0.00 N ATOM 49 CA LYS A 8 5.113 -4.339 -8.211 1.00 0.00 C ATOM 50 C LYS A 8 4.438 -3.074 -8.774 1.00 0.00 C ATOM 51 O LYS A 8 5.119 -2.137 -9.184 1.00 0.00 O ATOM 52 CB LYS A 8 5.148 -5.432 -9.283 1.00 0.00 C ATOM 53 CG LYS A 8 6.076 -6.581 -8.877 1.00 0.00 C ATOM 54 CD LYS A 8 5.939 -7.726 -9.882 1.00 0.00 C ATOM 55 CE LYS A 8 6.996 -8.804 -9.621 1.00 0.00 C ATOM 56 NZ LYS A 8 6.897 -9.896 -10.604 1.00 0.00 N ATOM 0 H LYS A 8 4.157 -5.831 -7.091 1.00 0.00 H new ATOM 0 HA LYS A 8 6.128 -4.074 -7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.141 -5.816 -9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.485 -5.006 -10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.109 -6.234 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.824 -6.930 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.942 -8.162 -9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.047 -7.341 -10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.991 -8.360 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.870 -9.204 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.625 -10.611 -10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.955 -10.333 -10.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.041 -9.516 -11.561 1.00 0.00 H new ATOM 57 N SER A 9 3.099 -3.024 -8.766 1.00 0.00 N ATOM 58 CA SER A 9 2.345 -1.878 -9.281 1.00 0.00 C ATOM 59 C SER A 9 2.494 -0.613 -8.426 1.00 0.00 C ATOM 60 O SER A 9 2.146 0.480 -8.866 1.00 0.00 O ATOM 61 CB SER A 9 0.856 -2.249 -9.359 1.00 0.00 C ATOM 62 OG SER A 9 0.334 -2.704 -8.120 1.00 0.00 O ATOM 0 H SER A 9 2.512 -3.775 -8.403 1.00 0.00 H new ATOM 0 HA SER A 9 2.755 -1.650 -10.265 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.287 -1.380 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.719 -3.025 -10.112 1.00 0.00 H new ATOM 0 HG SER A 9 0.729 -3.573 -7.898 1.00 0.00 H new ATOM 63 N CYS A 10 3.003 -0.761 -7.207 1.00 0.00 N ATOM 64 CA CYS A 10 3.141 0.266 -6.189 1.00 0.00 C ATOM 65 C CYS A 10 4.566 0.787 -6.159 1.00 0.00 C ATOM 66 O CYS A 10 4.809 1.985 -5.978 1.00 0.00 O ATOM 67 CB CYS A 10 2.755 -0.391 -4.865 1.00 0.00 C ATOM 68 SG CYS A 10 1.346 -1.544 -4.984 1.00 0.00 S ATOM 0 H CYS A 10 3.353 -1.664 -6.886 1.00 0.00 H new ATOM 0 HA CYS A 10 2.501 1.125 -6.390 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.618 -0.929 -4.474 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.512 0.388 -4.143 1.00 0.00 H new ATOM 69 N ILE A 11 5.503 -0.142 -6.370 1.00 0.00 N ATOM 70 CA ILE A 11 6.933 0.107 -6.458 1.00 0.00 C ATOM 71 C ILE A 11 7.194 1.298 -7.397 1.00 0.00 C ATOM 72 O ILE A 11 8.160 2.028 -7.205 1.00 0.00 O ATOM 73 CB ILE A 11 7.616 -1.219 -6.878 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.387 -1.847 -5.705 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.592 -1.049 -8.049 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.544 -2.155 -4.462 1.00 0.00 C ATOM 0 H ILE A 11 5.269 -1.128 -6.488 1.00 0.00 H new ATOM 0 HA ILE A 11 7.367 0.402 -5.503 1.00 0.00 H new ATOM 0 HB ILE A 11 6.802 -1.871 -7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.850 -2.772 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.195 -1.173 -5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.037 -2.013 -8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.056 -0.665 -8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.378 -0.348 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.178 -2.595 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.102 -1.233 -4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.752 -2.857 -4.724 1.00 0.00 H new ATOM 77 N GLY A 12 6.332 1.522 -8.395 1.00 0.00 N ATOM 78 CA GLY A 12 6.448 2.654 -9.303 1.00 0.00 C ATOM 79 C GLY A 12 6.527 3.991 -8.551 1.00 0.00 C ATOM 80 O GLY A 12 7.372 4.821 -8.878 1.00 0.00 O ATOM 0 H GLY A 12 5.534 0.918 -8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.338 2.533 -9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.591 2.667 -9.977 1.00 0.00 H new ATOM 81 N CYS A 13 5.659 4.212 -7.552 1.00 0.00 N ATOM 82 CA CYS A 13 5.656 5.454 -6.772 1.00 0.00 C ATOM 83 C CYS A 13 6.543 5.308 -5.537 1.00 0.00 C ATOM 84 O CYS A 13 7.313 6.211 -5.218 1.00 0.00 O ATOM 85 CB CYS A 13 4.246 5.847 -6.291 1.00 0.00 C ATOM 86 SG CYS A 13 3.192 6.800 -7.424 1.00 0.00 S ATOM 0 H CYS A 13 4.947 3.540 -7.266 1.00 0.00 H new ATOM 0 HA CYS A 13 6.032 6.231 -7.438 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.715 4.931 -6.031 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.355 6.423 -5.372 1.00 0.00 H new ATOM 87 N HIS A 14 6.420 4.183 -4.827 1.00 0.00 N ATOM 88 CA HIS A 14 7.139 3.948 -3.577 1.00 0.00 C ATOM 89 C HIS A 14 8.616 3.571 -3.748 1.00 0.00 C ATOM 90 O HIS A 14 9.383 3.646 -2.788 1.00 0.00 O ATOM 91 CB HIS A 14 6.380 2.870 -2.801 1.00 0.00 C ATOM 92 CG HIS A 14 5.021 3.327 -2.352 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.864 4.108 -1.220 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.753 3.132 -2.844 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.550 4.311 -1.059 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.814 3.715 -2.001 1.00 0.00 N ATOM 0 H HIS A 14 5.817 3.409 -5.106 1.00 0.00 H new ATOM 0 HA HIS A 14 7.169 4.890 -3.029 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.272 1.985 -3.428 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.966 2.575 -1.930 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.609 4.462 -0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.519 2.602 -3.755 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.130 4.895 -0.253 1.00 0.00 H new ATOM 97 N GLY A 15 9.045 3.191 -4.949 1.00 0.00 N ATOM 98 CA GLY A 15 10.417 2.788 -5.204 1.00 0.00 C ATOM 99 C GLY A 15 10.601 1.309 -4.875 1.00 0.00 C ATOM 100 O GLY A 15 9.847 0.749 -4.081 1.00 0.00 O ATOM 0 H GLY A 15 8.445 3.155 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.669 2.970 -6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.098 3.390 -4.602 1.00 0.00 H new ATOM 101 N ALA A 16 11.619 0.691 -5.488 1.00 0.00 N ATOM 102 CA ALA A 16 11.980 -0.719 -5.354 1.00 0.00 C ATOM 103 C ALA A 16 11.757 -1.262 -3.939 1.00 0.00 C ATOM 104 O ALA A 16 11.001 -2.210 -3.746 1.00 0.00 O ATOM 105 CB ALA A 16 13.446 -0.893 -5.766 1.00 0.00 C ATOM 0 H ALA A 16 12.243 1.190 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 16 11.325 -1.296 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.729 -1.941 -5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.573 -0.576 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.080 -0.286 -5.120 1.00 0.00 H new ATOM 106 N ASP A 17 12.417 -0.654 -2.951 1.00 0.00 N ATOM 107 CA ASP A 17 12.378 -1.010 -1.556 1.00 0.00 C ATOM 108 C ASP A 17 11.414 -0.128 -0.759 1.00 0.00 C ATOM 109 O ASP A 17 11.686 0.161 0.399 1.00 0.00 O ATOM 110 CB ASP A 17 13.809 -0.946 -0.992 1.00 0.00 C ATOM 111 CG ASP A 17 14.405 0.462 -1.011 1.00 0.00 C ATOM 112 OD1 ASP A 17 14.240 1.142 -2.050 1.00 0.00 O ATOM 113 OD2 ASP A 17 15.019 0.842 0.008 1.00 0.00 O ATOM 0 H ASP A 17 13.025 0.146 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 17 11.994 -2.026 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.805 -1.317 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.450 -1.612 -1.570 1.00 0.00 H new ATOM 114 N GLY A 18 10.306 0.317 -1.362 1.00 0.00 N ATOM 115 CA GLY A 18 9.280 1.145 -0.730 1.00 0.00 C ATOM 116 C GLY A 18 9.837 2.271 0.148 1.00 0.00 C ATOM 117 O GLY A 18 9.303 2.558 1.224 1.00 0.00 O ATOM 0 H GLY A 18 10.094 0.102 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.652 1.581 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.638 0.508 -0.121 1.00 0.00 H new ATOM 118 N SER A 19 10.901 2.911 -0.339 1.00 0.00 N ATOM 119 CA SER A 19 11.660 3.960 0.311 1.00 0.00 C ATOM 120 C SER A 19 11.215 5.368 -0.077 1.00 0.00 C ATOM 121 O SER A 19 11.294 6.283 0.741 1.00 0.00 O ATOM 122 CB SER A 19 13.111 3.753 -0.129 1.00 0.00 C ATOM 123 OG SER A 19 13.131 3.523 -1.531 1.00 0.00 O ATOM 0 H SER A 19 11.274 2.689 -1.262 1.00 0.00 H new ATOM 0 HA SER A 19 11.515 3.892 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.710 4.629 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.550 2.907 0.400 1.00 0.00 H new ATOM 0 HG SER A 19 13.810 2.849 -1.742 1.00 0.00 H new ATOM 124 N LYS A 20 10.793 5.565 -1.326 1.00 0.00 N ATOM 125 CA LYS A 20 10.403 6.873 -1.806 1.00 0.00 C ATOM 126 C LYS A 20 9.143 7.342 -1.096 1.00 0.00 C ATOM 127 O LYS A 20 8.170 6.596 -0.959 1.00 0.00 O ATOM 128 CB LYS A 20 10.145 6.849 -3.317 1.00 0.00 C ATOM 129 CG LYS A 20 11.364 6.410 -4.135 1.00 0.00 C ATOM 130 CD LYS A 20 10.954 6.327 -5.611 1.00 0.00 C ATOM 131 CE LYS A 20 12.110 5.832 -6.485 1.00 0.00 C ATOM 132 NZ LYS A 20 11.672 5.645 -7.880 1.00 0.00 N ATOM 0 H LYS A 20 10.715 4.823 -2.022 1.00 0.00 H new ATOM 0 HA LYS A 20 11.222 7.561 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.315 6.175 -3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.838 7.843 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.181 7.120 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.725 5.442 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.102 5.655 -5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.630 7.309 -5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.930 6.549 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.492 4.891 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.472 5.309 -8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.905 4.943 -7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.329 6.550 -8.261 1.00 0.00 H new ATOM 133 N ALA A 21 9.165 8.602 -0.665 1.00 0.00 N ATOM 134 CA ALA A 21 8.024 9.238 -0.037 1.00 0.00 C ATOM 135 C ALA A 21 7.055 9.559 -1.171 1.00 0.00 C ATOM 136 O ALA A 21 6.976 10.691 -1.639 1.00 0.00 O ATOM 137 CB ALA A 21 8.469 10.483 0.737 1.00 0.00 C ATOM 0 H ALA A 21 9.982 9.207 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 21 7.539 8.597 0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.602 10.951 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.185 10.196 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.937 11.189 0.052 1.00 0.00 H new ATOM 138 N ALA A 22 6.357 8.522 -1.633 1.00 0.00 N ATOM 139 CA ALA A 22 5.438 8.540 -2.752 1.00 0.00 C ATOM 140 C ALA A 22 4.637 9.833 -2.899 1.00 0.00 C ATOM 141 O ALA A 22 3.926 10.213 -1.973 1.00 0.00 O ATOM 142 CB ALA A 22 4.509 7.328 -2.669 1.00 0.00 C ATOM 0 H ALA A 22 6.428 7.598 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 22 6.050 8.489 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.817 7.341 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.101 6.413 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.946 7.364 -1.736 1.00 0.00 H new ATOM 143 N MET A 23 4.777 10.445 -4.087 1.00 0.00 N ATOM 144 CA MET A 23 4.176 11.654 -4.653 1.00 0.00 C ATOM 145 C MET A 23 3.624 12.654 -3.637 1.00 0.00 C ATOM 146 O MET A 23 4.142 13.760 -3.512 1.00 0.00 O ATOM 147 CB MET A 23 3.086 11.226 -5.645 1.00 0.00 C ATOM 148 CG MET A 23 3.646 10.327 -6.754 1.00 0.00 C ATOM 149 SD MET A 23 4.910 11.068 -7.817 1.00 0.00 S ATOM 150 CE MET A 23 5.276 9.655 -8.881 1.00 0.00 C ATOM 0 H MET A 23 5.413 10.034 -4.771 1.00 0.00 H new ATOM 0 HA MET A 23 4.979 12.202 -5.145 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.297 10.696 -5.112 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.631 12.111 -6.090 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.067 9.434 -6.292 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.817 10.001 -7.382 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.042 9.933 -9.605 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.636 8.825 -8.273 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.371 9.353 -9.409 1.00 0.00 H new ATOM 151 N GLY A 24 2.543 12.287 -2.948 1.00 0.00 N ATOM 152 CA GLY A 24 1.926 13.111 -1.924 1.00 0.00 C ATOM 153 C GLY A 24 2.926 13.513 -0.839 1.00 0.00 C ATOM 154 O GLY A 24 2.731 14.516 -0.155 1.00 0.00 O ATOM 0 H GLY A 24 2.069 11.395 -3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.507 14.007 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.097 12.567 -1.471 1.00 0.00 H new ATOM 155 N SER A 25 3.968 12.696 -0.673 1.00 0.00 N ATOM 156 CA SER A 25 5.094 12.748 0.253 1.00 0.00 C ATOM 157 C SER A 25 4.845 11.662 1.293 1.00 0.00 C ATOM 158 O SER A 25 4.781 11.961 2.484 1.00 0.00 O ATOM 159 CB SER A 25 5.298 14.124 0.914 1.00 0.00 C ATOM 160 OG SER A 25 5.373 15.149 -0.056 1.00 0.00 O ATOM 0 H SER A 25 4.048 11.872 -1.268 1.00 0.00 H new ATOM 0 HA SER A 25 6.020 12.580 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.475 14.327 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.212 14.114 1.508 1.00 0.00 H new ATOM 0 HG SER A 25 4.468 15.410 -0.327 1.00 0.00 H new ATOM 161 N ALA A 26 4.673 10.404 0.863 1.00 0.00 N ATOM 162 CA ALA A 26 4.377 9.356 1.810 1.00 0.00 C ATOM 163 C ALA A 26 5.410 9.113 2.895 1.00 0.00 C ATOM 164 O ALA A 26 6.610 9.208 2.666 1.00 0.00 O ATOM 165 CB ALA A 26 4.227 8.041 1.036 1.00 0.00 C ATOM 0 H ALA A 26 4.734 10.107 -0.111 1.00 0.00 H new ATOM 0 HA ALA A 26 3.474 9.690 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.003 7.233 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.416 8.134 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.156 7.820 0.511 1.00 0.00 H new ATOM 166 N LYS A 27 4.930 8.762 4.087 1.00 0.00 N ATOM 167 CA LYS A 27 5.817 8.318 5.148 1.00 0.00 C ATOM 168 C LYS A 27 6.260 6.938 4.619 1.00 0.00 C ATOM 169 O LYS A 27 5.385 6.089 4.432 1.00 0.00 O ATOM 170 CB LYS A 27 5.076 8.294 6.499 1.00 0.00 C ATOM 171 CG LYS A 27 3.839 7.384 6.537 1.00 0.00 C ATOM 172 CD LYS A 27 2.892 7.745 7.687 1.00 0.00 C ATOM 173 CE LYS A 27 1.607 6.911 7.591 1.00 0.00 C ATOM 174 NZ LYS A 27 0.740 7.363 6.486 1.00 0.00 N ATOM 0 H LYS A 27 3.941 8.778 4.336 1.00 0.00 H new ATOM 0 HA LYS A 27 6.672 8.961 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.772 7.971 7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.770 9.310 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.304 7.460 5.590 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.156 6.346 6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.382 7.563 8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.650 8.807 7.650 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.865 5.862 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.060 6.977 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.285 6.540 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.010 8.004 6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.313 7.865 5.778 1.00 0.00 H new ATOM 175 N PRO A 28 7.549 6.721 4.283 1.00 0.00 N ATOM 176 CA PRO A 28 8.055 5.484 3.688 1.00 0.00 C ATOM 177 C PRO A 28 7.301 4.233 4.135 1.00 0.00 C ATOM 178 O PRO A 28 7.288 3.922 5.325 1.00 0.00 O ATOM 179 CB PRO A 28 9.536 5.432 4.064 1.00 0.00 C ATOM 180 CG PRO A 28 9.915 6.911 4.026 1.00 0.00 C ATOM 181 CD PRO A 28 8.668 7.604 4.583 1.00 0.00 C ATOM 0 HA PRO A 28 7.907 5.492 2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.693 4.994 5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.118 4.842 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.796 7.117 4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.142 7.243 3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.759 7.767 5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.527 8.582 4.123 1.00 0.00 H new ATOM 182 N VAL A 29 6.650 3.522 3.201 1.00 0.00 N ATOM 183 CA VAL A 29 5.912 2.330 3.596 1.00 0.00 C ATOM 184 C VAL A 29 6.908 1.261 4.065 1.00 0.00 C ATOM 185 O VAL A 29 6.520 0.350 4.793 1.00 0.00 O ATOM 186 CB VAL A 29 4.932 1.822 2.525 1.00 0.00 C ATOM 187 CG1 VAL A 29 3.941 2.900 2.073 1.00 0.00 C ATOM 188 CG2 VAL A 29 5.584 1.201 1.300 1.00 0.00 C ATOM 0 H VAL A 29 6.623 3.746 2.206 1.00 0.00 H new ATOM 0 HA VAL A 29 5.260 2.592 4.429 1.00 0.00 H new ATOM 0 HB VAL A 29 4.397 1.024 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.274 2.487 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.356 3.238 2.928 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.488 3.744 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.812 0.874 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.222 1.939 0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.186 0.344 1.603 1.00 0.00 H new ATOM 189 N LYS A 30 8.184 1.338 3.653 1.00 0.00 N ATOM 190 CA LYS A 30 9.193 0.405 4.123 1.00 0.00 C ATOM 191 C LYS A 30 9.331 0.488 5.629 1.00 0.00 C ATOM 192 O LYS A 30 9.911 1.421 6.182 1.00 0.00 O ATOM 193 CB LYS A 30 10.542 0.648 3.466 1.00 0.00 C ATOM 194 CG LYS A 30 11.639 -0.247 4.080 1.00 0.00 C ATOM 195 CD LYS A 30 12.957 -0.252 3.296 1.00 0.00 C ATOM 196 CE LYS A 30 13.494 1.154 3.011 1.00 0.00 C ATOM 197 NZ LYS A 30 13.644 1.951 4.242 1.00 0.00 N ATOM 0 H LYS A 30 8.530 2.038 2.997 1.00 0.00 H new ATOM 0 HA LYS A 30 8.862 -0.595 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.468 0.452 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.820 1.696 3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.836 0.086 5.099 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.264 -1.268 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.704 -0.813 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.809 -0.776 2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.459 1.078 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.818 1.668 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.134 2.841 4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.705 2.161 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.199 1.413 4.938 1.00 0.00 H new ATOM 198 N GLY A 31 8.811 -0.552 6.260 1.00 0.00 N ATOM 199 CA GLY A 31 8.856 -0.732 7.696 1.00 0.00 C ATOM 200 C GLY A 31 7.506 -0.473 8.337 1.00 0.00 C ATOM 201 O GLY A 31 7.380 -0.652 9.548 1.00 0.00 O ATOM 0 H GLY A 31 8.335 -1.311 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.179 -1.748 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.597 -0.057 8.124 1.00 0.00 H new ATOM 202 N GLN A 32 6.498 -0.032 7.569 1.00 0.00 N ATOM 203 CA GLN A 32 5.193 0.161 8.151 1.00 0.00 C ATOM 204 C GLN A 32 4.714 -1.241 8.589 1.00 0.00 C ATOM 205 O GLN A 32 5.064 -2.239 7.961 1.00 0.00 O ATOM 206 CB GLN A 32 4.242 0.908 7.198 1.00 0.00 C ATOM 207 CG GLN A 32 4.461 2.441 7.062 1.00 0.00 C ATOM 208 CD GLN A 32 3.355 3.110 6.213 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.222 2.649 6.275 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.610 4.158 5.408 1.00 0.00 N ATOM 0 H GLN A 32 6.571 0.188 6.576 1.00 0.00 H new ATOM 0 HA GLN A 32 5.220 0.816 9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.331 0.461 6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.219 0.738 7.534 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.481 2.894 8.053 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.433 2.630 6.606 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.553 4.543 5.355 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.860 4.567 4.851 1.00 0.00 H new ATOM 211 N GLY A 33 3.959 -1.351 9.684 1.00 0.00 N ATOM 212 CA GLY A 33 3.557 -2.659 10.212 1.00 0.00 C ATOM 213 C GLY A 33 2.431 -3.321 9.420 1.00 0.00 C ATOM 214 O GLY A 33 1.515 -2.631 9.006 1.00 0.00 O ATOM 0 H GLY A 33 3.614 -0.555 10.221 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.423 -3.321 10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.240 -2.541 11.248 1.00 0.00 H new ATOM 215 N ALA A 34 2.438 -4.648 9.240 1.00 0.00 N ATOM 216 CA ALA A 34 1.413 -5.395 8.508 1.00 0.00 C ATOM 217 C ALA A 34 0.004 -4.968 8.909 1.00 0.00 C ATOM 218 O ALA A 34 -0.842 -4.725 8.054 1.00 0.00 O ATOM 219 CB ALA A 34 1.580 -6.897 8.766 1.00 0.00 C ATOM 0 H ALA A 34 3.177 -5.245 9.610 1.00 0.00 H new ATOM 0 HA ALA A 34 1.543 -5.179 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.815 -7.447 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.567 -7.216 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.478 -7.097 9.833 1.00 0.00 H new ATOM 220 N GLU A 35 -0.245 -4.881 10.217 1.00 0.00 N ATOM 221 CA GLU A 35 -1.545 -4.475 10.738 1.00 0.00 C ATOM 222 C GLU A 35 -1.879 -3.066 10.237 1.00 0.00 C ATOM 223 O GLU A 35 -2.994 -2.810 9.790 1.00 0.00 O ATOM 224 CB GLU A 35 -1.521 -4.559 12.274 1.00 0.00 C ATOM 225 CG GLU A 35 -2.909 -4.405 12.923 1.00 0.00 C ATOM 226 CD GLU A 35 -3.468 -2.982 12.888 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.662 -2.045 13.080 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.695 -2.859 12.684 1.00 0.00 O ATOM 0 H GLU A 35 0.446 -5.089 10.938 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.329 -5.142 10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.095 -5.518 12.570 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.860 -3.784 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.609 -5.070 12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.850 -4.734 13.961 1.00 0.00 H new ATOM 229 N GLU A 36 -0.896 -2.167 10.309 1.00 0.00 N ATOM 230 CA GLU A 36 -1.005 -0.785 9.876 1.00 0.00 C ATOM 231 C GLU A 36 -1.370 -0.783 8.393 1.00 0.00 C ATOM 232 O GLU A 36 -2.448 -0.345 8.004 1.00 0.00 O ATOM 233 CB GLU A 36 0.350 -0.095 10.138 1.00 0.00 C ATOM 234 CG GLU A 36 0.311 1.437 10.147 1.00 0.00 C ATOM 235 CD GLU A 36 1.720 2.035 10.234 1.00 0.00 C ATOM 236 OE1 GLU A 36 2.688 1.243 10.322 1.00 0.00 O ATOM 237 OE2 GLU A 36 1.804 3.281 10.209 1.00 0.00 O ATOM 0 H GLU A 36 0.025 -2.395 10.683 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.777 -0.241 10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.735 -0.438 11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.058 -0.420 9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.182 1.795 9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.284 1.782 10.992 1.00 0.00 H new ATOM 238 N LEU A 37 -0.465 -1.330 7.582 1.00 0.00 N ATOM 239 CA LEU A 37 -0.555 -1.467 6.148 1.00 0.00 C ATOM 240 C LEU A 37 -1.940 -1.987 5.765 1.00 0.00 C ATOM 241 O LEU A 37 -2.604 -1.416 4.905 1.00 0.00 O ATOM 242 CB LEU A 37 0.557 -2.436 5.720 1.00 0.00 C ATOM 243 CG LEU A 37 1.982 -1.874 5.898 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.011 -3.003 5.864 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.303 -0.934 4.747 1.00 0.00 C ATOM 0 H LEU A 37 0.408 -1.713 7.946 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.424 -0.511 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.466 -3.356 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.410 -2.701 4.673 1.00 0.00 H new ATOM 0 HG LEU A 37 2.024 -1.355 6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.011 -2.588 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.805 -3.707 6.670 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.952 -3.520 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.310 -0.536 4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.242 -1.479 3.805 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.587 -0.112 4.738 1.00 0.00 H new ATOM 246 N TYR A 38 -2.390 -3.059 6.418 1.00 0.00 N ATOM 247 CA TYR A 38 -3.684 -3.660 6.157 1.00 0.00 C ATOM 248 C TYR A 38 -4.835 -2.735 6.516 1.00 0.00 C ATOM 249 O TYR A 38 -5.714 -2.524 5.690 1.00 0.00 O ATOM 250 CB TYR A 38 -3.814 -4.945 6.965 1.00 0.00 C ATOM 251 CG TYR A 38 -5.206 -5.554 6.929 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.737 -6.043 5.719 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.056 -5.375 8.037 1.00 0.00 C ATOM 254 CE1 TYR A 38 -7.111 -6.337 5.616 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.427 -5.659 7.930 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.959 -6.126 6.718 1.00 0.00 C ATOM 257 OH TYR A 38 -9.302 -6.346 6.632 1.00 0.00 O ATOM 0 H TYR A 38 -1.857 -3.533 7.147 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.740 -3.863 5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.098 -5.675 6.587 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.544 -4.741 8.001 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.089 -6.193 4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.652 -5.018 8.973 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.513 -6.724 4.691 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.074 -5.518 8.783 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.508 -6.785 5.780 1.00 0.00 H new ATOM 258 N LYS A 39 -4.867 -2.217 7.744 1.00 0.00 N ATOM 259 CA LYS A 39 -5.953 -1.356 8.184 1.00 0.00 C ATOM 260 C LYS A 39 -6.066 -0.151 7.253 1.00 0.00 C ATOM 261 O LYS A 39 -7.160 0.262 6.863 1.00 0.00 O ATOM 262 CB LYS A 39 -5.680 -0.934 9.635 1.00 0.00 C ATOM 263 CG LYS A 39 -6.839 -0.135 10.242 1.00 0.00 C ATOM 264 CD LYS A 39 -6.528 0.176 11.712 1.00 0.00 C ATOM 265 CE LYS A 39 -7.610 1.053 12.354 1.00 0.00 C ATOM 266 NZ LYS A 39 -8.918 0.376 12.391 1.00 0.00 N ATOM 0 H LYS A 39 -4.149 -2.382 8.450 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.906 -1.884 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.499 -1.822 10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.771 -0.333 9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.987 0.791 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.766 -0.704 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.439 -0.757 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.564 0.681 11.780 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.309 1.316 13.368 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.700 1.985 11.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.596 0.959 12.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.265 0.238 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.817 -0.548 12.857 1.00 0.00 H new ATOM 267 N LYS A 40 -4.915 0.396 6.869 1.00 0.00 N ATOM 268 CA LYS A 40 -4.846 1.550 6.019 1.00 0.00 C ATOM 269 C LYS A 40 -5.319 1.198 4.606 1.00 0.00 C ATOM 270 O LYS A 40 -6.195 1.869 4.059 1.00 0.00 O ATOM 271 CB LYS A 40 -3.403 2.034 6.063 1.00 0.00 C ATOM 272 CG LYS A 40 -2.969 2.686 7.390 1.00 0.00 C ATOM 273 CD LYS A 40 -3.876 3.840 7.833 1.00 0.00 C ATOM 274 CE LYS A 40 -3.155 4.804 8.782 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.213 5.678 8.057 1.00 0.00 N ATOM 0 H LYS A 40 -4.003 0.036 7.150 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.506 2.350 6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.747 1.188 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.253 2.753 5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.955 1.926 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.949 3.056 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.223 4.386 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.760 3.437 8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.889 5.416 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.615 4.235 9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.744 6.317 8.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.498 5.095 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.732 6.239 7.352 1.00 0.00 H new ATOM 276 N MET A 41 -4.773 0.136 4.005 1.00 0.00 N ATOM 277 CA MET A 41 -5.193 -0.263 2.676 1.00 0.00 C ATOM 278 C MET A 41 -6.666 -0.644 2.680 1.00 0.00 C ATOM 279 O MET A 41 -7.337 -0.394 1.690 1.00 0.00 O ATOM 280 CB MET A 41 -4.359 -1.425 2.155 1.00 0.00 C ATOM 281 CG MET A 41 -2.989 -0.959 1.662 1.00 0.00 C ATOM 282 SD MET A 41 -2.108 -2.229 0.730 1.00 0.00 S ATOM 283 CE MET A 41 -1.869 -3.426 2.050 1.00 0.00 C ATOM 0 H MET A 41 -4.049 -0.451 4.419 1.00 0.00 H new ATOM 0 HA MET A 41 -5.043 0.588 2.011 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.230 -2.164 2.946 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.890 -1.919 1.341 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.115 -0.077 1.034 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.384 -0.658 2.517 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.002 -4.047 1.825 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.706 -2.902 2.992 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.754 -4.056 2.134 1.00 0.00 H new ATOM 284 N LYS A 42 -7.185 -1.252 3.749 1.00 0.00 N ATOM 285 CA LYS A 42 -8.597 -1.589 3.824 1.00 0.00 C ATOM 286 C LYS A 42 -9.373 -0.273 3.733 1.00 0.00 C ATOM 287 O LYS A 42 -10.322 -0.159 2.963 1.00 0.00 O ATOM 288 CB LYS A 42 -8.892 -2.372 5.112 1.00 0.00 C ATOM 289 CG LYS A 42 -10.350 -2.844 5.221 1.00 0.00 C ATOM 290 CD LYS A 42 -10.748 -3.779 4.068 1.00 0.00 C ATOM 291 CE LYS A 42 -12.093 -4.465 4.332 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.197 -3.492 4.424 1.00 0.00 N ATOM 0 H LYS A 42 -6.644 -1.519 4.571 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.903 -2.243 3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.233 -3.239 5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.656 -1.745 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.492 -3.360 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.011 -1.977 5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.806 -3.209 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.975 -4.535 3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.301 -5.176 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.034 -5.036 5.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.098 -3.999 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.045 -2.871 5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.227 -2.918 3.557 1.00 0.00 H new ATOM 293 N GLY A 43 -8.939 0.745 4.481 1.00 0.00 N ATOM 294 CA GLY A 43 -9.557 2.054 4.425 1.00 0.00 C ATOM 295 C GLY A 43 -9.532 2.609 2.995 1.00 0.00 C ATOM 296 O GLY A 43 -10.554 3.106 2.519 1.00 0.00 O ATOM 0 H GLY A 43 -8.157 0.678 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.587 1.990 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.033 2.737 5.094 1.00 0.00 H new ATOM 297 N TYR A 44 -8.379 2.557 2.309 1.00 0.00 N ATOM 298 CA TYR A 44 -8.301 3.054 0.940 1.00 0.00 C ATOM 299 C TYR A 44 -9.215 2.218 0.041 1.00 0.00 C ATOM 300 O TYR A 44 -9.922 2.785 -0.788 1.00 0.00 O ATOM 301 CB TYR A 44 -6.857 3.029 0.417 1.00 0.00 C ATOM 302 CG TYR A 44 -5.910 4.062 1.001 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.259 5.426 1.050 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.596 3.686 1.335 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.416 6.330 1.712 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.683 4.642 1.800 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.111 5.948 2.053 1.00 0.00 C ATOM 308 OH TYR A 44 -3.288 6.803 2.715 1.00 0.00 O ATOM 0 H TYR A 44 -7.506 2.181 2.678 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.634 4.092 0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.442 2.039 0.607 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.883 3.162 -0.665 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.168 5.773 0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.289 2.655 1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.772 7.319 1.959 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.651 4.370 1.963 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.698 6.294 3.310 1.00 0.00 H new ATOM 309 N ALA A 45 -9.223 0.893 0.216 1.00 0.00 N ATOM 310 CA ALA A 45 -10.038 -0.051 -0.539 1.00 0.00 C ATOM 311 C ALA A 45 -11.504 0.370 -0.423 1.00 0.00 C ATOM 312 O ALA A 45 -12.224 0.426 -1.416 1.00 0.00 O ATOM 313 CB ALA A 45 -9.868 -1.478 -0.004 1.00 0.00 C ATOM 0 H ALA A 45 -8.638 0.436 0.915 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.719 -0.042 -1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.487 -2.161 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.823 -1.776 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.173 -1.513 1.042 1.00 0.00 H new ATOM 314 N ASP A 46 -11.926 0.684 0.807 1.00 0.00 N ATOM 315 CA ASP A 46 -13.284 1.110 1.114 1.00 0.00 C ATOM 316 C ASP A 46 -13.545 2.535 0.610 1.00 0.00 C ATOM 317 O ASP A 46 -14.701 2.927 0.469 1.00 0.00 O ATOM 318 CB ASP A 46 -13.531 1.023 2.631 1.00 0.00 C ATOM 319 CG ASP A 46 -13.420 -0.384 3.212 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.607 -1.359 2.451 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.162 -0.467 4.434 1.00 0.00 O ATOM 0 H ASP A 46 -11.319 0.647 1.626 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.977 0.443 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.816 1.670 3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.525 1.414 2.847 1.00 0.00 H new ATOM 322 N GLY A 47 -12.499 3.331 0.356 1.00 0.00 N ATOM 323 CA GLY A 47 -12.622 4.697 -0.132 1.00 0.00 C ATOM 324 C GLY A 47 -12.906 5.717 0.972 1.00 0.00 C ATOM 325 O GLY A 47 -12.768 6.915 0.741 1.00 0.00 O ATOM 0 H GLY A 47 -11.532 3.033 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.701 4.975 -0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.423 4.740 -0.870 1.00 0.00 H new ATOM 326 N SER A 48 -13.293 5.280 2.173 1.00 0.00 N ATOM 327 CA SER A 48 -13.607 6.108 3.298 1.00 0.00 C ATOM 328 C SER A 48 -12.350 6.797 3.838 1.00 0.00 C ATOM 329 O SER A 48 -12.407 7.962 4.227 1.00 0.00 O ATOM 330 CB SER A 48 -14.256 5.161 4.312 1.00 0.00 C ATOM 331 OG SER A 48 -13.904 3.802 4.099 1.00 0.00 O ATOM 0 H SER A 48 -13.395 4.286 2.378 1.00 0.00 H new ATOM 0 HA SER A 48 -14.282 6.926 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.959 5.455 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 48 -15.340 5.264 4.257 1.00 0.00 H new ATOM 0 HG SER A 48 -14.342 3.241 4.773 1.00 0.00 H new ATOM 332 N TYR A 49 -11.222 6.083 3.890 1.00 0.00 N ATOM 333 CA TYR A 49 -9.970 6.652 4.366 1.00 0.00 C ATOM 334 C TYR A 49 -9.266 7.289 3.175 1.00 0.00 C ATOM 335 O TYR A 49 -8.794 6.564 2.304 1.00 0.00 O ATOM 336 CB TYR A 49 -9.076 5.549 4.948 1.00 0.00 C ATOM 337 CG TYR A 49 -7.631 5.938 5.220 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.312 7.111 5.933 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.595 5.145 4.694 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.967 7.489 6.101 1.00 0.00 C ATOM 341 CE2 TYR A 49 -5.255 5.496 4.910 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.936 6.683 5.587 1.00 0.00 C ATOM 343 OH TYR A 49 -3.634 7.025 5.804 1.00 0.00 O ATOM 0 H TYR A 49 -11.156 5.106 3.606 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.167 7.389 5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.520 5.203 5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.081 4.704 4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.100 7.720 6.351 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.833 4.261 4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.726 8.401 6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.466 4.851 4.554 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.049 6.424 5.298 1.00 0.00 H new ATOM 344 N GLY A 50 -9.185 8.617 3.111 1.00 0.00 N ATOM 345 CA GLY A 50 -8.466 9.239 2.020 1.00 0.00 C ATOM 346 C GLY A 50 -8.495 10.758 2.056 1.00 0.00 C ATOM 347 O GLY A 50 -8.974 11.388 2.995 1.00 0.00 O ATOM 0 H GLY A 50 -9.598 9.261 3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.429 8.904 2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.891 8.899 1.076 1.00 0.00 H new ATOM 348 N GLY A 51 -7.906 11.295 0.996 1.00 0.00 N ATOM 349 CA GLY A 51 -7.643 12.638 0.591 1.00 0.00 C ATOM 350 C GLY A 51 -7.202 12.599 -0.867 1.00 0.00 C ATOM 351 O GLY A 51 -7.274 11.555 -1.510 1.00 0.00 O ATOM 0 H GLY A 51 -7.543 10.662 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.535 13.254 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.867 13.081 1.215 1.00 0.00 H new ATOM 352 N GLU A 52 -6.712 13.728 -1.363 1.00 0.00 N ATOM 353 CA GLU A 52 -6.276 13.904 -2.744 1.00 0.00 C ATOM 354 C GLU A 52 -5.208 12.880 -3.146 1.00 0.00 C ATOM 355 O GLU A 52 -5.419 12.076 -4.048 1.00 0.00 O ATOM 356 CB GLU A 52 -5.755 15.337 -2.957 1.00 0.00 C ATOM 357 CG GLU A 52 -6.763 16.427 -2.554 1.00 0.00 C ATOM 358 CD GLU A 52 -6.560 16.913 -1.119 1.00 0.00 C ATOM 359 OE1 GLU A 52 -7.028 16.199 -0.204 1.00 0.00 O ATOM 360 OE2 GLU A 52 -5.920 17.974 -0.962 1.00 0.00 O ATOM 0 H GLU A 52 -6.603 14.571 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.141 13.737 -3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.839 15.471 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.493 15.467 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.671 17.272 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.776 16.038 -2.662 1.00 0.00 H new ATOM 361 N ARG A 53 -4.059 12.896 -2.465 1.00 0.00 N ATOM 362 CA ARG A 53 -2.945 11.992 -2.756 1.00 0.00 C ATOM 363 C ARG A 53 -3.426 10.539 -2.648 1.00 0.00 C ATOM 364 O ARG A 53 -3.193 9.699 -3.515 1.00 0.00 O ATOM 365 CB ARG A 53 -1.761 12.333 -1.827 1.00 0.00 C ATOM 366 CG ARG A 53 -2.087 12.395 -0.319 1.00 0.00 C ATOM 367 CD ARG A 53 -1.512 13.638 0.384 1.00 0.00 C ATOM 368 NE ARG A 53 -0.078 13.525 0.690 1.00 0.00 N ATOM 369 CZ ARG A 53 0.433 12.834 1.722 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.362 12.066 2.472 1.00 0.00 N ATOM 371 NH2 ARG A 53 1.736 12.930 1.999 1.00 0.00 N ATOM 0 H ARG A 53 -3.875 13.538 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.585 12.119 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.978 11.590 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.351 13.296 -2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.169 12.382 -0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.697 11.500 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.673 14.511 -0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.061 13.809 1.310 1.00 0.00 H new ATOM 0 HE ARG A 53 0.576 14.007 0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.358 12.004 2.261 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.027 11.542 3.256 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.336 13.525 1.428 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.131 12.408 2.781 1.00 0.00 H new ATOM 372 N LYS A 54 -4.179 10.293 -1.584 1.00 0.00 N ATOM 373 CA LYS A 54 -4.822 9.069 -1.190 1.00 0.00 C ATOM 374 C LYS A 54 -5.878 8.599 -2.213 1.00 0.00 C ATOM 375 O LYS A 54 -6.314 7.449 -2.157 1.00 0.00 O ATOM 376 CB LYS A 54 -5.401 9.383 0.183 1.00 0.00 C ATOM 377 CG LYS A 54 -4.307 9.565 1.253 1.00 0.00 C ATOM 378 CD LYS A 54 -4.860 10.003 2.622 1.00 0.00 C ATOM 379 CE LYS A 54 -3.745 10.428 3.586 1.00 0.00 C ATOM 380 NZ LYS A 54 -2.922 9.286 4.018 1.00 0.00 N ATOM 0 H LYS A 54 -4.368 11.035 -0.910 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.132 8.226 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.001 10.291 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.071 8.578 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.765 8.627 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.588 10.307 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.554 10.832 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.427 9.183 3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.110 11.169 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.185 10.908 4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.938 9.597 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.290 8.913 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.956 8.540 3.294 1.00 0.00 H new ATOM 381 N ALA A 55 -6.293 9.444 -3.166 1.00 0.00 N ATOM 382 CA ALA A 55 -7.263 9.043 -4.176 1.00 0.00 C ATOM 383 C ALA A 55 -6.590 8.027 -5.094 1.00 0.00 C ATOM 384 O ALA A 55 -7.181 7.007 -5.451 1.00 0.00 O ATOM 385 CB ALA A 55 -7.752 10.260 -4.967 1.00 0.00 C ATOM 0 H ALA A 55 -5.969 10.407 -3.253 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.137 8.595 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.476 9.940 -5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.223 10.970 -4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.905 10.737 -5.461 1.00 0.00 H new ATOM 386 N MET A 56 -5.329 8.308 -5.450 1.00 0.00 N ATOM 387 CA MET A 56 -4.530 7.423 -6.280 1.00 0.00 C ATOM 388 C MET A 56 -4.448 6.076 -5.567 1.00 0.00 C ATOM 389 O MET A 56 -4.640 5.027 -6.176 1.00 0.00 O ATOM 390 CB MET A 56 -3.129 8.014 -6.499 1.00 0.00 C ATOM 391 CG MET A 56 -3.155 9.409 -7.140 1.00 0.00 C ATOM 392 SD MET A 56 -4.074 9.576 -8.695 1.00 0.00 S ATOM 393 CE MET A 56 -3.165 8.417 -9.741 1.00 0.00 C ATOM 0 H MET A 56 -4.842 9.158 -5.166 1.00 0.00 H new ATOM 0 HA MET A 56 -4.986 7.301 -7.263 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.612 8.071 -5.541 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.553 7.340 -7.133 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.579 10.107 -6.418 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.126 9.720 -7.318 1.00 0.00 H new ATOM 0 HE1 MET A 56 -3.550 8.467 -10.760 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.107 8.678 -9.740 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.289 7.405 -9.356 1.00 0.00 H new ATOM 394 N MET A 57 -4.195 6.124 -4.257 1.00 0.00 N ATOM 395 CA MET A 57 -4.120 4.940 -3.424 1.00 0.00 C ATOM 396 C MET A 57 -5.411 4.141 -3.529 1.00 0.00 C ATOM 397 O MET A 57 -5.370 2.963 -3.875 1.00 0.00 O ATOM 398 CB MET A 57 -3.838 5.342 -1.972 1.00 0.00 C ATOM 399 CG MET A 57 -2.340 5.357 -1.688 1.00 0.00 C ATOM 400 SD MET A 57 -1.516 3.786 -2.019 1.00 0.00 S ATOM 401 CE MET A 57 -2.454 2.607 -1.018 1.00 0.00 C ATOM 0 H MET A 57 -4.037 6.994 -3.749 1.00 0.00 H new ATOM 0 HA MET A 57 -3.303 4.308 -3.771 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.258 6.328 -1.776 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.333 4.645 -1.296 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.874 6.135 -2.292 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.181 5.626 -0.644 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.194 1.591 -1.314 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.213 2.752 0.035 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.521 2.767 -1.172 1.00 0.00 H new ATOM 402 N THR A 58 -6.559 4.755 -3.239 1.00 0.00 N ATOM 403 CA THR A 58 -7.830 4.054 -3.357 1.00 0.00 C ATOM 404 C THR A 58 -7.942 3.420 -4.744 1.00 0.00 C ATOM 405 O THR A 58 -8.227 2.229 -4.846 1.00 0.00 O ATOM 406 CB THR A 58 -8.980 5.034 -3.068 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.023 5.271 -1.679 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.348 4.504 -3.510 1.00 0.00 C ATOM 0 H THR A 58 -6.631 5.723 -2.925 1.00 0.00 H new ATOM 0 HA THR A 58 -7.890 3.248 -2.626 1.00 0.00 H new ATOM 0 HB THR A 58 -8.784 5.943 -3.636 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.347 4.468 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.116 5.242 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.336 4.317 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.566 3.575 -2.983 1.00 0.00 H new ATOM 409 N ASN A 59 -7.679 4.184 -5.807 1.00 0.00 N ATOM 410 CA ASN A 59 -7.742 3.650 -7.163 1.00 0.00 C ATOM 411 C ASN A 59 -6.801 2.446 -7.309 1.00 0.00 C ATOM 412 O ASN A 59 -7.136 1.491 -8.008 1.00 0.00 O ATOM 413 CB ASN A 59 -7.375 4.750 -8.171 1.00 0.00 C ATOM 414 CG ASN A 59 -7.833 4.476 -9.607 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.153 5.412 -10.332 1.00 0.00 O ATOM 416 ND2 ASN A 59 -7.884 3.227 -10.063 1.00 0.00 N ATOM 0 H ASN A 59 -7.422 5.170 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.758 3.312 -7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.812 5.691 -7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.293 4.882 -8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.190 3.045 -11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.617 2.451 -9.457 1.00 0.00 H new ATOM 417 N ALA A 60 -5.629 2.488 -6.671 1.00 0.00 N ATOM 418 CA ALA A 60 -4.639 1.429 -6.744 1.00 0.00 C ATOM 419 C ALA A 60 -5.073 0.164 -6.002 1.00 0.00 C ATOM 420 O ALA A 60 -4.921 -0.927 -6.549 1.00 0.00 O ATOM 421 CB ALA A 60 -3.304 1.927 -6.171 1.00 0.00 C ATOM 0 H ALA A 60 -5.344 3.272 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.527 1.166 -7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.564 1.129 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.958 2.785 -6.748 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.442 2.221 -5.130 1.00 0.00 H new ATOM 422 N VAL A 61 -5.615 0.282 -4.782 1.00 0.00 N ATOM 423 CA VAL A 61 -5.928 -0.909 -3.992 1.00 0.00 C ATOM 424 C VAL A 61 -7.363 -1.414 -4.181 1.00 0.00 C ATOM 425 O VAL A 61 -7.610 -2.589 -3.933 1.00 0.00 O ATOM 426 CB VAL A 61 -5.690 -0.655 -2.490 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.480 0.208 -2.158 1.00 0.00 C ATOM 428 CG2 VAL A 61 -6.880 -0.129 -1.707 1.00 0.00 C ATOM 0 H VAL A 61 -5.840 1.169 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.253 -1.681 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.494 -1.676 -2.162 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.402 0.325 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.577 -0.271 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.593 1.188 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.596 0.012 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.200 0.824 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.700 -0.845 -1.766 1.00 0.00 H new ATOM 429 N LYS A 62 -8.321 -0.568 -4.578 1.00 0.00 N ATOM 430 CA LYS A 62 -9.729 -0.960 -4.704 1.00 0.00 C ATOM 431 C LYS A 62 -9.939 -2.219 -5.555 1.00 0.00 C ATOM 432 O LYS A 62 -10.907 -2.943 -5.341 1.00 0.00 O ATOM 433 CB LYS A 62 -10.541 0.233 -5.230 1.00 0.00 C ATOM 434 CG LYS A 62 -12.041 -0.083 -5.343 1.00 0.00 C ATOM 435 CD LYS A 62 -12.888 1.194 -5.445 1.00 0.00 C ATOM 436 CE LYS A 62 -13.148 1.794 -4.055 1.00 0.00 C ATOM 437 NZ LYS A 62 -13.880 3.069 -4.137 1.00 0.00 N ATOM 0 H LYS A 62 -8.142 0.406 -4.821 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.089 -1.233 -3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.401 1.085 -4.565 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.159 0.526 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.216 -0.706 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.357 -0.660 -4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.376 1.925 -6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.837 0.967 -5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.719 1.086 -3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.198 1.953 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.036 3.442 -3.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.324 3.753 -4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.797 2.913 -4.602 1.00 0.00 H new ATOM 438 N LYS A 63 -9.054 -2.492 -6.517 1.00 0.00 N ATOM 439 CA LYS A 63 -9.166 -3.677 -7.359 1.00 0.00 C ATOM 440 C LYS A 63 -8.892 -4.977 -6.575 1.00 0.00 C ATOM 441 O LYS A 63 -9.192 -6.061 -7.072 1.00 0.00 O ATOM 442 CB LYS A 63 -8.229 -3.520 -8.566 1.00 0.00 C ATOM 443 CG LYS A 63 -6.746 -3.485 -8.171 1.00 0.00 C ATOM 444 CD LYS A 63 -5.813 -3.339 -9.381 1.00 0.00 C ATOM 445 CE LYS A 63 -5.999 -2.029 -10.158 1.00 0.00 C ATOM 446 NZ LYS A 63 -5.931 -0.852 -9.275 1.00 0.00 N ATOM 0 H LYS A 63 -8.249 -1.903 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.193 -3.763 -7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.396 -4.345 -9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.480 -2.602 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.577 -2.655 -7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.496 -4.399 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.780 -3.404 -9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.978 -4.177 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.230 -1.951 -10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.961 -2.044 -10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.419 -0.086 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.894 -0.534 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.431 -1.104 -8.398 1.00 0.00 H new ATOM 447 N TYR A 64 -8.286 -4.892 -5.385 1.00 0.00 N ATOM 448 CA TYR A 64 -7.963 -6.003 -4.521 1.00 0.00 C ATOM 449 C TYR A 64 -9.118 -6.244 -3.554 1.00 0.00 C ATOM 450 O TYR A 64 -10.229 -5.741 -3.700 1.00 0.00 O ATOM 451 CB TYR A 64 -6.630 -5.671 -3.823 1.00 0.00 C ATOM 452 CG TYR A 64 -5.468 -5.394 -4.761 1.00 0.00 C ATOM 453 CD1 TYR A 64 -5.302 -6.124 -5.954 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.576 -4.351 -4.461 1.00 0.00 C ATOM 455 CE1 TYR A 64 -4.328 -5.731 -6.888 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.603 -3.962 -5.393 1.00 0.00 C ATOM 457 CZ TYR A 64 -3.487 -4.640 -6.618 1.00 0.00 C ATOM 458 OH TYR A 64 -2.563 -4.261 -7.548 1.00 0.00 O ATOM 0 H TYR A 64 -7.999 -3.996 -4.991 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.833 -6.935 -5.071 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.778 -4.800 -3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -6.361 -6.502 -3.171 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.923 -6.985 -6.151 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.640 -3.846 -3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.226 -6.271 -7.818 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.941 -3.139 -5.168 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.634 -3.296 -7.705 1.00 0.00 H new ATOM 459 N SER A 65 -8.840 -7.080 -2.570 1.00 0.00 N ATOM 460 CA SER A 65 -9.731 -7.525 -1.514 1.00 0.00 C ATOM 461 C SER A 65 -8.854 -8.044 -0.383 1.00 0.00 C ATOM 462 O SER A 65 -7.684 -8.336 -0.622 1.00 0.00 O ATOM 463 CB SER A 65 -10.654 -8.609 -2.070 1.00 0.00 C ATOM 464 OG SER A 65 -11.635 -8.030 -2.910 1.00 0.00 O ATOM 0 H SER A 65 -7.914 -7.498 -2.482 1.00 0.00 H new ATOM 0 HA SER A 65 -10.364 -6.722 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.072 -9.341 -2.629 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.135 -9.143 -1.251 1.00 0.00 H new ATOM 0 HG SER A 65 -11.319 -7.160 -3.230 1.00 0.00 H new ATOM 465 N ASP A 66 -9.414 -8.154 0.824 1.00 0.00 N ATOM 466 CA ASP A 66 -8.752 -8.571 2.058 1.00 0.00 C ATOM 467 C ASP A 66 -7.610 -9.571 1.874 1.00 0.00 C ATOM 468 O ASP A 66 -6.544 -9.361 2.437 1.00 0.00 O ATOM 469 CB ASP A 66 -9.799 -9.124 3.027 1.00 0.00 C ATOM 470 CG ASP A 66 -10.752 -8.012 3.435 1.00 0.00 C ATOM 471 OD1 ASP A 66 -11.650 -7.718 2.616 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.523 -7.432 4.519 1.00 0.00 O ATOM 0 H ASP A 66 -10.400 -7.941 0.973 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.275 -7.679 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.352 -9.937 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.310 -9.540 3.908 1.00 0.00 H new ATOM 473 N GLU A 67 -7.804 -10.645 1.107 1.00 0.00 N ATOM 474 CA GLU A 67 -6.754 -11.640 0.895 1.00 0.00 C ATOM 475 C GLU A 67 -5.530 -11.004 0.220 1.00 0.00 C ATOM 476 O GLU A 67 -4.401 -11.117 0.698 1.00 0.00 O ATOM 477 CB GLU A 67 -7.332 -12.799 0.064 1.00 0.00 C ATOM 478 CG GLU A 67 -6.301 -13.879 -0.304 1.00 0.00 C ATOM 479 CD GLU A 67 -5.614 -14.506 0.908 1.00 0.00 C ATOM 480 OE1 GLU A 67 -6.299 -14.665 1.942 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.410 -14.816 0.779 1.00 0.00 O ATOM 0 H GLU A 67 -8.679 -10.847 0.623 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.413 -12.032 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.145 -13.263 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.764 -12.396 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.797 -14.663 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.544 -13.440 -0.954 1.00 0.00 H new ATOM 482 N GLU A 68 -5.761 -10.326 -0.902 1.00 0.00 N ATOM 483 CA GLU A 68 -4.731 -9.664 -1.681 1.00 0.00 C ATOM 484 C GLU A 68 -4.123 -8.522 -0.863 1.00 0.00 C ATOM 485 O GLU A 68 -2.910 -8.339 -0.842 1.00 0.00 O ATOM 486 CB GLU A 68 -5.360 -9.153 -2.983 1.00 0.00 C ATOM 487 CG GLU A 68 -5.716 -10.282 -3.963 1.00 0.00 C ATOM 488 CD GLU A 68 -6.877 -11.156 -3.490 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.800 -10.591 -2.860 1.00 0.00 O ATOM 490 OE2 GLU A 68 -6.820 -12.376 -3.754 1.00 0.00 O ATOM 0 H GLU A 68 -6.694 -10.222 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.927 -10.357 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.261 -8.587 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.669 -8.464 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.970 -9.847 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.838 -10.910 -4.116 1.00 0.00 H new ATOM 491 N LEU A 69 -4.968 -7.747 -0.182 1.00 0.00 N ATOM 492 CA LEU A 69 -4.527 -6.646 0.661 1.00 0.00 C ATOM 493 C LEU A 69 -3.613 -7.186 1.766 1.00 0.00 C ATOM 494 O LEU A 69 -2.565 -6.610 2.054 1.00 0.00 O ATOM 495 CB LEU A 69 -5.746 -5.925 1.245 1.00 0.00 C ATOM 496 CG LEU A 69 -6.629 -5.215 0.209 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.776 -4.514 0.943 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.836 -4.185 -0.600 1.00 0.00 C ATOM 0 H LEU A 69 -5.980 -7.869 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.960 -5.926 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.355 -6.649 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.402 -5.191 1.973 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.013 -5.960 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.413 -4.004 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.364 -5.252 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.368 -3.786 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.495 -3.704 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.424 -3.433 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.023 -4.684 -1.127 1.00 0.00 H new ATOM 499 N LYS A 70 -4.003 -8.302 2.386 1.00 0.00 N ATOM 500 CA LYS A 70 -3.222 -8.958 3.418 1.00 0.00 C ATOM 501 C LYS A 70 -1.891 -9.396 2.807 1.00 0.00 C ATOM 502 O LYS A 70 -0.852 -9.189 3.424 1.00 0.00 O ATOM 503 CB LYS A 70 -4.014 -10.146 3.982 1.00 0.00 C ATOM 504 CG LYS A 70 -3.248 -10.958 5.041 1.00 0.00 C ATOM 505 CD LYS A 70 -3.874 -12.349 5.225 1.00 0.00 C ATOM 506 CE LYS A 70 -3.232 -13.418 4.323 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.282 -13.074 2.891 1.00 0.00 N ATOM 0 H LYS A 70 -4.882 -8.775 2.177 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.018 -8.280 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.941 -9.777 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.292 -10.808 3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.205 -11.061 4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.256 -10.423 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.774 -12.652 6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.941 -12.293 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.193 -13.559 4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.740 -14.369 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.944 -13.881 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.261 -12.850 2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.676 -12.248 2.711 1.00 0.00 H new ATOM 508 N ALA A 71 -1.904 -9.997 1.610 1.00 0.00 N ATOM 509 CA ALA A 71 -0.676 -10.424 0.950 1.00 0.00 C ATOM 510 C ALA A 71 0.235 -9.213 0.754 1.00 0.00 C ATOM 511 O ALA A 71 1.419 -9.254 1.086 1.00 0.00 O ATOM 512 CB ALA A 71 -0.996 -11.098 -0.388 1.00 0.00 C ATOM 0 H ALA A 71 -2.755 -10.196 1.084 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.160 -11.156 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.069 -11.411 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.627 -11.970 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.520 -10.394 -1.034 1.00 0.00 H new ATOM 513 N LEU A 72 -0.317 -8.113 0.236 1.00 0.00 N ATOM 514 CA LEU A 72 0.457 -6.910 0.021 1.00 0.00 C ATOM 515 C LEU A 72 1.068 -6.399 1.317 1.00 0.00 C ATOM 516 O LEU A 72 2.265 -6.125 1.364 1.00 0.00 O ATOM 517 CB LEU A 72 -0.470 -5.836 -0.526 1.00 0.00 C ATOM 518 CG LEU A 72 -0.640 -5.981 -2.030 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.566 -4.851 -2.436 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.717 -5.793 -2.699 1.00 0.00 C ATOM 0 H LEU A 72 -1.297 -8.041 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 72 1.264 -7.139 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.442 -5.906 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.067 -4.850 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.036 -6.956 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.737 -4.889 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.517 -4.954 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.111 -3.896 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.608 -5.895 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.103 -4.801 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.411 -6.549 -2.332 1.00 0.00 H new ATOM 521 N ALA A 73 0.243 -6.223 2.351 1.00 0.00 N ATOM 522 CA ALA A 73 0.726 -5.710 3.620 1.00 0.00 C ATOM 523 C ALA A 73 1.778 -6.651 4.184 1.00 0.00 C ATOM 524 O ALA A 73 2.788 -6.187 4.694 1.00 0.00 O ATOM 525 CB ALA A 73 -0.419 -5.592 4.631 1.00 0.00 C ATOM 0 H ALA A 73 -0.756 -6.429 2.328 1.00 0.00 H new ATOM 0 HA ALA A 73 1.154 -4.723 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.033 -5.206 5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.178 -4.912 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.862 -6.574 4.795 1.00 0.00 H new ATOM 526 N ASP A 74 1.540 -7.964 4.124 1.00 0.00 N ATOM 527 CA ASP A 74 2.501 -8.948 4.596 1.00 0.00 C ATOM 528 C ASP A 74 3.825 -8.689 3.882 1.00 0.00 C ATOM 529 O ASP A 74 4.872 -8.646 4.525 1.00 0.00 O ATOM 530 CB ASP A 74 1.991 -10.367 4.327 1.00 0.00 C ATOM 531 CG ASP A 74 3.035 -11.400 4.731 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.072 -11.725 5.937 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.774 -11.843 3.826 1.00 0.00 O ATOM 0 H ASP A 74 0.681 -8.366 3.749 1.00 0.00 H new ATOM 0 HA ASP A 74 2.642 -8.859 5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.069 -10.539 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.752 -10.479 3.269 1.00 0.00 H new ATOM 534 N TYR A 75 3.764 -8.463 2.562 1.00 0.00 N ATOM 535 CA TYR A 75 4.956 -8.168 1.797 1.00 0.00 C ATOM 536 C TYR A 75 5.579 -6.882 2.327 1.00 0.00 C ATOM 537 O TYR A 75 6.656 -6.943 2.905 1.00 0.00 O ATOM 538 CB TYR A 75 4.676 -8.120 0.298 1.00 0.00 C ATOM 539 CG TYR A 75 5.949 -7.831 -0.467 1.00 0.00 C ATOM 540 CD1 TYR A 75 6.995 -8.770 -0.401 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.212 -6.528 -0.931 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.301 -8.399 -0.753 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.518 -6.169 -1.309 1.00 0.00 C ATOM 544 CZ TYR A 75 8.569 -7.087 -1.168 1.00 0.00 C ATOM 545 OH TYR A 75 9.855 -6.675 -1.319 1.00 0.00 O ATOM 0 H TYR A 75 2.902 -8.481 2.016 1.00 0.00 H new ATOM 0 HA TYR A 75 5.676 -8.976 1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.255 -9.070 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.933 -7.351 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.791 -9.780 -0.078 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.412 -5.805 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.100 -9.124 -0.704 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.712 -5.185 -1.709 1.00 0.00 H new ATOM 0 HH TYR A 75 10.390 -6.987 -0.559 1.00 0.00 H new ATOM 546 N MET A 76 4.920 -5.729 2.171 1.00 0.00 N ATOM 547 CA MET A 76 5.446 -4.460 2.670 1.00 0.00 C ATOM 548 C MET A 76 5.972 -4.512 4.111 1.00 0.00 C ATOM 549 O MET A 76 6.921 -3.808 4.442 1.00 0.00 O ATOM 550 CB MET A 76 4.340 -3.415 2.617 1.00 0.00 C ATOM 551 CG MET A 76 4.196 -2.809 1.229 1.00 0.00 C ATOM 552 SD MET A 76 2.851 -1.620 1.147 1.00 0.00 S ATOM 553 CE MET A 76 1.458 -2.760 1.139 1.00 0.00 C ATOM 0 H MET A 76 4.018 -5.652 1.701 1.00 0.00 H new ATOM 0 HA MET A 76 6.293 -4.214 2.029 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.395 -3.871 2.913 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.552 -2.625 3.337 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.129 -2.320 0.949 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.022 -3.603 0.503 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.716 -2.422 0.416 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.805 -3.756 0.865 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.009 -2.793 2.132 1.00 0.00 H new ATOM 554 N SER A 77 5.350 -5.306 4.981 1.00 0.00 N ATOM 555 CA SER A 77 5.772 -5.400 6.373 1.00 0.00 C ATOM 556 C SER A 77 7.234 -5.853 6.455 1.00 0.00 C ATOM 557 O SER A 77 7.940 -5.404 7.356 1.00 0.00 O ATOM 558 CB SER A 77 4.827 -6.302 7.176 1.00 0.00 C ATOM 559 OG SER A 77 4.942 -6.036 8.566 1.00 0.00 O ATOM 0 H SER A 77 4.551 -5.894 4.744 1.00 0.00 H new ATOM 0 HA SER A 77 5.714 -4.412 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.799 -6.139 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.061 -7.348 6.980 1.00 0.00 H new ATOM 0 HG SER A 77 5.857 -5.749 8.769 1.00 0.00 H new ATOM 560 N LYS A 78 7.684 -6.754 5.569 1.00 0.00 N ATOM 561 CA LYS A 78 9.086 -7.162 5.537 1.00 0.00 C ATOM 562 C LYS A 78 9.843 -6.262 4.548 1.00 0.00 C ATOM 563 O LYS A 78 10.994 -5.899 4.777 1.00 0.00 O ATOM 564 CB LYS A 78 9.197 -8.651 5.175 1.00 0.00 C ATOM 565 CG LYS A 78 8.603 -9.067 3.817 1.00 0.00 C ATOM 566 CD LYS A 78 9.059 -10.470 3.393 1.00 0.00 C ATOM 567 CE LYS A 78 10.516 -10.512 2.906 1.00 0.00 C ATOM 568 NZ LYS A 78 10.727 -9.706 1.687 1.00 0.00 N ATOM 0 H LYS A 78 7.096 -7.209 4.870 1.00 0.00 H new ATOM 0 HA LYS A 78 9.539 -7.043 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.251 -8.929 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.705 -9.231 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.515 -9.042 3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.898 -8.345 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.945 -11.152 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.407 -10.832 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.171 -10.147 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.800 -11.546 2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.667 -9.912 1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.998 -9.943 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.664 -8.695 1.924 1.00 0.00 H new ATOM 569 N LEU A 79 9.135 -5.893 3.481 1.00 0.00 N ATOM 570 CA LEU A 79 9.515 -5.089 2.343 1.00 0.00 C ATOM 571 C LEU A 79 10.669 -5.789 1.611 1.00 0.00 C ATOM 572 O LEU A 79 10.450 -6.954 1.203 1.00 0.00 O ATOM 573 CB LEU A 79 9.789 -3.629 2.761 1.00 0.00 C ATOM 574 CG LEU A 79 9.390 -2.562 1.716 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.399 -3.041 0.273 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.998 -1.941 1.873 1.00 0.00 C ATOM 577 OXT LEU A 79 11.731 -5.164 1.410 1.00 0.00 O ATOM 0 H LEU A 79 8.164 -6.193 3.394 1.00 0.00 H new ATOM 0 HA LEU A 79 8.697 -5.007 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.252 -3.426 3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.852 -3.523 2.978 1.00 0.00 H new ATOM 0 HG LEU A 79 10.173 -1.833 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.106 -2.222 -0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.401 -3.378 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.697 -3.867 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.835 -1.209 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.241 -2.723 1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.926 -1.450 2.843 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.825 3.829 -1.959 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.512 5.057 1.191 1.00 5.52 C HETATM 581 CHB HEM A 80 0.197 0.684 -0.726 1.00 7.91 C HETATM 582 CHC HEM A 80 0.477 2.619 -5.151 1.00 6.02 C HETATM 583 CHD HEM A 80 1.115 7.034 -3.190 1.00 10.53 C HETATM 584 NA HEM A 80 0.596 3.022 -0.140 1.00 6.22 N HETATM 585 C1A HEM A 80 0.509 3.694 1.056 1.00 6.23 C HETATM 586 C2A HEM A 80 0.458 2.783 2.158 1.00 8.27 C HETATM 587 C3A HEM A 80 0.405 1.549 1.625 1.00 7.07 C HETATM 588 C4A HEM A 80 0.410 1.698 0.191 1.00 9.92 C HETATM 589 CMA HEM A 80 0.420 0.275 2.387 1.00 7.00 C HETATM 590 CAA HEM A 80 0.517 3.145 3.618 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.843 3.235 4.310 1.00 11.15 C HETATM 592 CGA HEM A 80 -1.060 4.588 4.970 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.854 5.374 4.461 1.00 18.65 O HETATM 594 O2A HEM A 80 -0.441 4.834 5.999 1.00 17.21 O HETATM 595 NB HEM A 80 0.370 2.052 -2.767 1.00 4.54 N HETATM 596 C1B HEM A 80 0.086 0.881 -2.095 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.348 -0.125 -3.015 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.054 0.331 -4.256 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.280 1.729 -4.107 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.889 -1.461 -2.610 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.011 -0.461 -5.540 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.301 -1.174 -5.950 1.00 6.48 C HETATM 603 NC HEM A 80 0.922 4.638 -3.788 1.00 3.58 N HETATM 604 C1C HEM A 80 0.766 3.971 -4.994 1.00 4.45 C HETATM 605 C2C HEM A 80 0.988 4.866 -6.093 1.00 5.77 C HETATM 606 C3C HEM A 80 1.327 6.071 -5.560 1.00 8.44 C HETATM 607 C4C HEM A 80 1.129 5.971 -4.114 1.00 11.13 C HETATM 608 CMC HEM A 80 0.918 4.447 -7.542 1.00 8.62 C HETATM 609 CAC HEM A 80 1.808 7.281 -6.322 1.00 3.39 C HETATM 610 CBC HEM A 80 0.646 8.017 -7.006 1.00 10.94 C HETATM 611 ND HEM A 80 0.787 5.680 -1.167 1.00 4.28 N HETATM 612 C1D HEM A 80 0.908 6.904 -1.802 1.00 5.02 C HETATM 613 C2D HEM A 80 0.859 7.974 -0.785 1.00 3.97 C HETATM 614 C3D HEM A 80 0.867 7.354 0.436 1.00 5.11 C HETATM 615 C4D HEM A 80 0.693 5.968 0.176 1.00 9.05 C HETATM 616 CMD HEM A 80 0.846 9.460 -1.049 1.00 5.28 C HETATM 617 CAD HEM A 80 1.107 7.875 1.848 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.010 8.600 2.589 1.00 6.36 C HETATM 619 CGD HEM A 80 0.543 9.263 3.853 1.00 6.46 C HETATM 620 O1D HEM A 80 1.677 8.969 4.238 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.163 10.094 4.418 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.079 -0.501 1.807 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.101 0.412 3.335 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.451 -0.022 2.579 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.603 -1.806 -3.358 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.388 -1.374 -1.645 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.070 -2.177 -2.532 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.593 5.292 -8.150 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.207 3.628 -7.650 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.903 4.119 -7.874 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.387 9.670 -1.971 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.325 9.981 -0.220 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 -0.184 9.803 -1.146 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.331 -1.761 -6.868 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.190 -1.095 -5.324 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.840 8.913 -7.595 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.373 7.643 -6.902 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.920 2.449 5.061 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.633 3.057 3.580 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.025 4.104 3.720 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 1.125 2.405 4.137 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.799 7.896 2.853 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -0.459 9.352 1.941 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.960 8.552 1.804 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.406 7.025 2.462 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.358 5.452 2.184 1.00 5.52 H new HETATM 0 HHB HEM A 80 0.112 -0.326 -0.352 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.401 2.236 -6.158 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.276 8.030 -3.577 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.894 -0.522 -6.145 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.850 7.594 -6.380 1.00 3.39 H new