USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 80 HEMFE :(H bumps) USER MOD Set 1.1: A 63 LYS NZ :NH3+ 148:sc= 1.38 (180deg=0.377) USER MOD Set 1.2: A 64 TYR OH : rot -128:sc= 1.18 USER MOD Set 2.1: A 41 MET CE :methyl -156:sc= -0.437 (180deg=-1.22) USER MOD Set 2.2: A 76 MET CE :methyl -107:sc= -0.72 (180deg=-3.9!) USER MOD Set 2.3: A 80 HEM CMA :methyl -30:sc= -1.03 (180deg=-5.37!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 179:sc=-0.00262 (180deg=-0.016) USER MOD Set 3.2: A 49 TYR OH : rot 150:sc= 1.2 USER MOD Single : A 1 ALA N :NH3+ -130:sc= 0.22 (180deg=0.00128) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.541 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.128 USER MOD Single : A 19 SER OG : rot 138:sc= 1.16 USER MOD Single : A 20 LYS NZ :NH3+ -110:sc= 0.247 (180deg=0) USER MOD Single : A 23 MET CE :methyl -175:sc=-0.000783 (180deg=-0.0566) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0.421 (180deg=0.275) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 1.02 (180deg=0.367) USER MOD Single : A 32 GLN : amide:sc= -2.37 K(o=-2.4,f=-8.6!) USER MOD Single : A 38 TYR OH : rot -1:sc= 1.23 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= 0.907 (180deg=0.671) USER MOD Single : A 44 TYR OH : rot -42:sc= 0.635 USER MOD Single : A 48 SER OG : rot -45:sc= 0.696 USER MOD Single : A 54 LYS NZ :NH3+ -111:sc= 0.433 (180deg=-0.00465) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 166:sc= -1.92 (180deg=-2.93) USER MOD Single : A 58 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 59 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -75:sc= 1.13 USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= 0.0227 (180deg=-0.681) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 68:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0.343 (180deg=0.3) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -1.65 (180deg=-1.65) USER MOD Single : A 80 HEM CMC :methyl -30:sc= -0.0854 (180deg=-0.0899) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -1.17 (180deg=-3.83!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.314 -14.814 -5.200 1.00 0.00 N ATOM 2 CA ALA A 1 3.900 -15.054 -5.536 1.00 0.00 C ATOM 3 C ALA A 1 3.124 -13.830 -5.064 1.00 0.00 C ATOM 4 O ALA A 1 3.746 -12.772 -4.963 1.00 0.00 O ATOM 5 CB ALA A 1 3.403 -16.356 -4.896 1.00 0.00 C ATOM 0 H1 ALA A 1 5.905 -14.992 -6.037 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.436 -13.827 -4.894 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.601 -15.453 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 1 3.758 -15.185 -6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.357 -16.513 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.998 -17.192 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.500 -16.289 -3.812 1.00 0.00 H new ATOM 6 N ASP A 2 1.819 -13.935 -4.804 1.00 0.00 N ATOM 7 CA ASP A 2 1.056 -12.812 -4.280 1.00 0.00 C ATOM 8 C ASP A 2 1.719 -12.413 -2.955 1.00 0.00 C ATOM 9 O ASP A 2 2.252 -13.278 -2.264 1.00 0.00 O ATOM 10 CB ASP A 2 -0.408 -13.213 -4.156 1.00 0.00 C ATOM 11 CG ASP A 2 -0.615 -14.285 -3.094 1.00 0.00 C ATOM 12 OD1 ASP A 2 -0.170 -15.422 -3.365 1.00 0.00 O ATOM 13 OD2 ASP A 2 -1.203 -13.944 -2.046 1.00 0.00 O ATOM 0 H ASP A 2 1.275 -14.785 -4.949 1.00 0.00 H new ATOM 0 HA ASP A 2 1.061 -11.942 -4.937 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.005 -12.336 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.767 -13.580 -5.118 1.00 0.00 H new ATOM 14 N GLY A 3 1.726 -11.121 -2.607 1.00 0.00 N ATOM 15 CA GLY A 3 2.488 -10.653 -1.477 1.00 0.00 C ATOM 16 C GLY A 3 3.901 -10.678 -2.045 1.00 0.00 C ATOM 17 O GLY A 3 4.674 -11.608 -1.834 1.00 0.00 O ATOM 0 H GLY A 3 1.209 -10.393 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.188 -9.653 -1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.381 -11.305 -0.610 1.00 0.00 H new ATOM 18 N ALA A 4 4.145 -9.632 -2.837 1.00 0.00 N ATOM 19 CA ALA A 4 5.298 -9.321 -3.665 1.00 0.00 C ATOM 20 C ALA A 4 4.802 -9.151 -5.102 1.00 0.00 C ATOM 21 O ALA A 4 5.255 -8.235 -5.783 1.00 0.00 O ATOM 22 CB ALA A 4 6.397 -10.393 -3.638 1.00 0.00 C ATOM 0 H ALA A 4 3.446 -8.894 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 4 5.753 -8.414 -3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.221 -10.085 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.759 -10.517 -2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.991 -11.339 -3.996 1.00 0.00 H new ATOM 23 N ALA A 5 3.836 -9.966 -5.566 1.00 0.00 N ATOM 24 CA ALA A 5 3.398 -9.834 -6.951 1.00 0.00 C ATOM 25 C ALA A 5 2.341 -8.750 -7.057 1.00 0.00 C ATOM 26 O ALA A 5 2.142 -8.193 -8.131 1.00 0.00 O ATOM 27 CB ALA A 5 2.866 -11.164 -7.488 1.00 0.00 C ATOM 0 H ALA A 5 3.366 -10.690 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 5 4.256 -9.551 -7.561 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.546 -11.037 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.653 -11.916 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.019 -11.488 -6.884 1.00 0.00 H new ATOM 28 N LEU A 6 1.660 -8.437 -5.952 1.00 0.00 N ATOM 29 CA LEU A 6 0.633 -7.428 -5.977 1.00 0.00 C ATOM 30 C LEU A 6 1.266 -6.042 -5.833 1.00 0.00 C ATOM 31 O LEU A 6 0.749 -5.070 -6.383 1.00 0.00 O ATOM 32 CB LEU A 6 -0.336 -7.781 -4.854 1.00 0.00 C ATOM 33 CG LEU A 6 -1.207 -9.001 -5.192 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.753 -9.581 -3.888 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.378 -8.622 -6.105 1.00 0.00 C ATOM 0 H LEU A 6 1.810 -8.872 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 6 0.087 -7.398 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.227 -7.981 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.979 -6.925 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.594 -9.732 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.375 -10.449 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.923 -9.882 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.351 -8.827 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.972 -9.510 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.003 -7.881 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.993 -8.205 -7.036 1.00 0.00 H new ATOM 36 N TYR A 7 2.387 -5.945 -5.099 1.00 0.00 N ATOM 37 CA TYR A 7 3.055 -4.670 -4.866 1.00 0.00 C ATOM 38 C TYR A 7 3.939 -4.169 -6.021 1.00 0.00 C ATOM 39 O TYR A 7 4.319 -2.996 -6.026 1.00 0.00 O ATOM 40 CB TYR A 7 3.869 -4.765 -3.565 1.00 0.00 C ATOM 41 CG TYR A 7 3.947 -3.456 -2.801 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.765 -2.776 -2.455 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.184 -2.931 -2.390 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.825 -1.509 -1.865 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.231 -1.694 -1.728 1.00 0.00 C ATOM 46 CZ TYR A 7 4.068 -0.920 -1.606 1.00 0.00 C ATOM 47 OH TYR A 7 4.145 0.376 -1.202 1.00 0.00 O ATOM 0 H TYR A 7 2.845 -6.743 -4.658 1.00 0.00 H new ATOM 0 HA TYR A 7 2.265 -3.923 -4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.424 -5.525 -2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.879 -5.099 -3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.806 -3.235 -2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.095 -3.477 -2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.915 -0.987 -1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.162 -1.339 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 7 5.084 0.621 -1.067 1.00 0.00 H new ATOM 48 N LYS A 8 4.247 -5.015 -7.011 1.00 0.00 N ATOM 49 CA LYS A 8 5.123 -4.674 -8.134 1.00 0.00 C ATOM 50 C LYS A 8 4.804 -3.313 -8.769 1.00 0.00 C ATOM 51 O LYS A 8 5.707 -2.560 -9.120 1.00 0.00 O ATOM 52 CB LYS A 8 5.083 -5.802 -9.177 1.00 0.00 C ATOM 53 CG LYS A 8 3.722 -5.965 -9.873 1.00 0.00 C ATOM 54 CD LYS A 8 3.658 -7.251 -10.708 1.00 0.00 C ATOM 55 CE LYS A 8 4.619 -7.222 -11.903 1.00 0.00 C ATOM 56 NZ LYS A 8 4.448 -8.414 -12.752 1.00 0.00 N ATOM 0 H LYS A 8 3.889 -5.969 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 8 6.134 -4.576 -7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.845 -5.611 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.345 -6.742 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.930 -5.978 -9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.538 -5.105 -10.516 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.897 -8.105 -10.074 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.640 -7.397 -11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.442 -6.323 -12.494 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.647 -7.171 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.110 -8.368 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.640 -9.269 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.473 -8.447 -13.111 1.00 0.00 H new ATOM 57 N SER A 9 3.522 -2.985 -8.918 1.00 0.00 N ATOM 58 CA SER A 9 3.076 -1.730 -9.504 1.00 0.00 C ATOM 59 C SER A 9 3.356 -0.541 -8.582 1.00 0.00 C ATOM 60 O SER A 9 3.788 0.528 -9.009 1.00 0.00 O ATOM 61 CB SER A 9 1.565 -1.855 -9.737 1.00 0.00 C ATOM 62 OG SER A 9 0.969 -2.596 -8.681 1.00 0.00 O ATOM 0 H SER A 9 2.756 -3.594 -8.630 1.00 0.00 H new ATOM 0 HA SER A 9 3.616 -1.548 -10.433 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.115 -0.864 -9.796 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.375 -2.348 -10.690 1.00 0.00 H new ATOM 0 HG SER A 9 0.004 -2.670 -8.837 1.00 0.00 H new ATOM 63 N CYS A 10 3.094 -0.754 -7.296 1.00 0.00 N ATOM 64 CA CYS A 10 3.197 0.212 -6.219 1.00 0.00 C ATOM 65 C CYS A 10 4.641 0.655 -6.092 1.00 0.00 C ATOM 66 O CYS A 10 4.932 1.827 -5.836 1.00 0.00 O ATOM 67 CB CYS A 10 2.706 -0.461 -4.936 1.00 0.00 C ATOM 68 SG CYS A 10 1.258 -1.552 -5.125 1.00 0.00 S ATOM 0 H CYS A 10 2.784 -1.667 -6.962 1.00 0.00 H new ATOM 0 HA CYS A 10 2.589 1.095 -6.414 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.526 -1.044 -4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.462 0.315 -4.210 1.00 0.00 H new ATOM 69 N ILE A 11 5.538 -0.310 -6.320 1.00 0.00 N ATOM 70 CA ILE A 11 6.971 -0.110 -6.291 1.00 0.00 C ATOM 71 C ILE A 11 7.357 1.120 -7.128 1.00 0.00 C ATOM 72 O ILE A 11 8.320 1.806 -6.799 1.00 0.00 O ATOM 73 CB ILE A 11 7.678 -1.417 -6.735 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.690 -1.867 -5.674 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.422 -1.285 -8.074 1.00 0.00 C ATOM 76 CD1 ILE A 11 8.011 -2.431 -4.423 1.00 0.00 C ATOM 0 H ILE A 11 5.270 -1.271 -6.534 1.00 0.00 H new ATOM 0 HA ILE A 11 7.308 0.105 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 11 6.882 -2.152 -6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.347 -2.625 -6.101 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.318 -1.022 -5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.893 -2.236 -8.324 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.715 -1.013 -8.858 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.186 -0.512 -7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.770 -2.735 -3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.375 -1.666 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.404 -3.294 -4.696 1.00 0.00 H new ATOM 77 N GLY A 12 6.601 1.427 -8.191 1.00 0.00 N ATOM 78 CA GLY A 12 6.866 2.574 -9.041 1.00 0.00 C ATOM 79 C GLY A 12 6.845 3.904 -8.280 1.00 0.00 C ATOM 80 O GLY A 12 7.635 4.791 -8.593 1.00 0.00 O ATOM 0 H GLY A 12 5.789 0.880 -8.478 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.839 2.449 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.124 2.607 -9.839 1.00 0.00 H new ATOM 81 N CYS A 13 5.948 4.060 -7.296 1.00 0.00 N ATOM 82 CA CYS A 13 5.828 5.300 -6.523 1.00 0.00 C ATOM 83 C CYS A 13 6.607 5.204 -5.218 1.00 0.00 C ATOM 84 O CYS A 13 7.253 6.163 -4.809 1.00 0.00 O ATOM 85 CB CYS A 13 4.357 5.592 -6.206 1.00 0.00 C ATOM 86 SG CYS A 13 3.919 7.338 -5.962 1.00 0.00 S ATOM 0 H CYS A 13 5.289 3.333 -7.016 1.00 0.00 H new ATOM 0 HA CYS A 13 6.240 6.108 -7.127 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.747 5.196 -7.018 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.085 5.042 -5.305 1.00 0.00 H new ATOM 87 N HIS A 14 6.536 4.043 -4.561 1.00 0.00 N ATOM 88 CA HIS A 14 7.130 3.745 -3.293 1.00 0.00 C ATOM 89 C HIS A 14 8.623 3.406 -3.353 1.00 0.00 C ATOM 90 O HIS A 14 9.319 3.490 -2.339 1.00 0.00 O ATOM 91 CB HIS A 14 6.265 2.586 -2.817 1.00 0.00 C ATOM 92 CG HIS A 14 4.911 3.070 -2.371 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.766 3.820 -1.221 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.651 3.003 -2.920 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.493 4.237 -1.173 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.736 3.680 -2.120 1.00 0.00 N ATOM 0 H HIS A 14 6.024 3.247 -4.942 1.00 0.00 H new ATOM 0 HA HIS A 14 7.140 4.600 -2.617 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.149 1.860 -3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.761 2.072 -1.993 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.493 4.020 -0.534 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.407 2.496 -3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.121 4.946 -0.448 1.00 0.00 H new ATOM 97 N GLY A 15 9.139 3.060 -4.531 1.00 0.00 N ATOM 98 CA GLY A 15 10.534 2.702 -4.708 1.00 0.00 C ATOM 99 C GLY A 15 10.751 1.239 -4.335 1.00 0.00 C ATOM 100 O GLY A 15 9.982 0.666 -3.563 1.00 0.00 O ATOM 0 H GLY A 15 8.592 3.022 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.832 2.870 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.163 3.341 -4.088 1.00 0.00 H new ATOM 101 N ALA A 16 11.816 0.639 -4.878 1.00 0.00 N ATOM 102 CA ALA A 16 12.188 -0.756 -4.663 1.00 0.00 C ATOM 103 C ALA A 16 12.056 -1.177 -3.195 1.00 0.00 C ATOM 104 O ALA A 16 11.427 -2.187 -2.890 1.00 0.00 O ATOM 105 CB ALA A 16 13.627 -0.964 -5.146 1.00 0.00 C ATOM 0 H ALA A 16 12.460 1.130 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 16 11.501 -1.382 -5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.916 -2.003 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.693 -0.724 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.297 -0.313 -4.585 1.00 0.00 H new ATOM 106 N ASP A 17 12.653 -0.393 -2.294 1.00 0.00 N ATOM 107 CA ASP A 17 12.691 -0.611 -0.870 1.00 0.00 C ATOM 108 C ASP A 17 11.575 0.102 -0.104 1.00 0.00 C ATOM 109 O ASP A 17 11.655 0.195 1.115 1.00 0.00 O ATOM 110 CB ASP A 17 14.058 -0.139 -0.352 1.00 0.00 C ATOM 111 CG ASP A 17 14.184 1.383 -0.307 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.460 2.054 -1.080 1.00 0.00 O ATOM 113 OD2 ASP A 17 14.996 1.859 0.515 1.00 0.00 O ATOM 0 H ASP A 17 13.147 0.456 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 17 12.537 -1.676 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.221 -0.542 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.843 -0.545 -0.991 1.00 0.00 H new ATOM 114 N GLY A 18 10.574 0.672 -0.779 1.00 0.00 N ATOM 115 CA GLY A 18 9.488 1.364 -0.098 1.00 0.00 C ATOM 116 C GLY A 18 9.883 2.673 0.586 1.00 0.00 C ATOM 117 O GLY A 18 9.056 3.234 1.310 1.00 0.00 O ATOM 0 H GLY A 18 10.497 0.666 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.700 1.573 -0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.064 0.695 0.650 1.00 0.00 H new ATOM 118 N SER A 19 11.113 3.162 0.386 1.00 0.00 N ATOM 119 CA SER A 19 11.576 4.392 1.021 1.00 0.00 C ATOM 120 C SER A 19 11.299 5.632 0.173 1.00 0.00 C ATOM 121 O SER A 19 11.484 6.741 0.671 1.00 0.00 O ATOM 122 CB SER A 19 13.074 4.296 1.317 1.00 0.00 C ATOM 123 OG SER A 19 13.327 3.186 2.155 1.00 0.00 O ATOM 0 H SER A 19 11.806 2.718 -0.216 1.00 0.00 H new ATOM 0 HA SER A 19 11.016 4.501 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.632 4.195 0.386 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.418 5.212 1.797 1.00 0.00 H new ATOM 0 HG SER A 19 14.126 2.714 1.840 1.00 0.00 H new ATOM 124 N LYS A 20 10.901 5.494 -1.098 1.00 0.00 N ATOM 125 CA LYS A 20 10.618 6.675 -1.900 1.00 0.00 C ATOM 126 C LYS A 20 9.314 7.252 -1.360 1.00 0.00 C ATOM 127 O LYS A 20 8.280 6.581 -1.370 1.00 0.00 O ATOM 128 CB LYS A 20 10.526 6.330 -3.395 1.00 0.00 C ATOM 129 CG LYS A 20 10.614 7.535 -4.349 1.00 0.00 C ATOM 130 CD LYS A 20 9.515 8.582 -4.114 1.00 0.00 C ATOM 131 CE LYS A 20 9.318 9.505 -5.319 1.00 0.00 C ATOM 132 NZ LYS A 20 8.256 10.492 -5.049 1.00 0.00 N ATOM 0 H LYS A 20 10.773 4.602 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 20 11.421 7.408 -1.825 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.326 5.632 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.584 5.811 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.588 8.010 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.553 7.180 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.576 8.075 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.769 9.181 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.251 10.020 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.058 8.914 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.423 10.275 -5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.993 10.453 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.601 11.445 -5.280 1.00 0.00 H new ATOM 133 N ALA A 21 9.366 8.487 -0.859 1.00 0.00 N ATOM 134 CA ALA A 21 8.194 9.155 -0.333 1.00 0.00 C ATOM 135 C ALA A 21 7.236 9.480 -1.480 1.00 0.00 C ATOM 136 O ALA A 21 7.269 10.571 -2.045 1.00 0.00 O ATOM 137 CB ALA A 21 8.615 10.403 0.448 1.00 0.00 C ATOM 0 H ALA A 21 10.220 9.042 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 21 7.666 8.502 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.729 10.902 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.265 10.113 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.150 11.083 -0.214 1.00 0.00 H new ATOM 138 N ALA A 22 6.424 8.480 -1.833 1.00 0.00 N ATOM 139 CA ALA A 22 5.390 8.469 -2.856 1.00 0.00 C ATOM 140 C ALA A 22 4.744 9.850 -2.990 1.00 0.00 C ATOM 141 O ALA A 22 4.295 10.377 -1.979 1.00 0.00 O ATOM 142 CB ALA A 22 4.411 7.363 -2.468 1.00 0.00 C ATOM 0 H ALA A 22 6.484 7.577 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 22 5.791 8.257 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.610 7.311 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.936 6.408 -2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.987 7.580 -1.487 1.00 0.00 H new ATOM 143 N MET A 23 4.739 10.407 -4.215 1.00 0.00 N ATOM 144 CA MET A 23 4.250 11.724 -4.646 1.00 0.00 C ATOM 145 C MET A 23 3.791 12.638 -3.511 1.00 0.00 C ATOM 146 O MET A 23 4.467 13.622 -3.217 1.00 0.00 O ATOM 147 CB MET A 23 3.142 11.571 -5.693 1.00 0.00 C ATOM 148 CG MET A 23 3.664 11.016 -7.026 1.00 0.00 C ATOM 149 SD MET A 23 5.005 11.917 -7.851 1.00 0.00 S ATOM 150 CE MET A 23 4.261 13.556 -8.012 1.00 0.00 C ATOM 0 H MET A 23 5.118 9.889 -5.008 1.00 0.00 H new ATOM 0 HA MET A 23 5.114 12.221 -5.087 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.369 10.908 -5.305 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.673 12.540 -5.865 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.003 9.995 -6.853 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.823 10.960 -7.718 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.928 14.204 -8.581 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.306 13.473 -8.531 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.100 13.981 -7.021 1.00 0.00 H new ATOM 151 N GLY A 24 2.660 12.343 -2.865 1.00 0.00 N ATOM 152 CA GLY A 24 2.152 13.121 -1.742 1.00 0.00 C ATOM 153 C GLY A 24 2.971 12.911 -0.458 1.00 0.00 C ATOM 154 O GLY A 24 2.414 12.817 0.632 1.00 0.00 O ATOM 0 H GLY A 24 2.069 11.549 -3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.160 14.179 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.114 12.847 -1.555 1.00 0.00 H new ATOM 155 N SER A 25 4.299 12.871 -0.584 1.00 0.00 N ATOM 156 CA SER A 25 5.274 12.697 0.471 1.00 0.00 C ATOM 157 C SER A 25 4.946 11.501 1.361 1.00 0.00 C ATOM 158 O SER A 25 4.838 11.669 2.578 1.00 0.00 O ATOM 159 CB SER A 25 5.366 13.996 1.282 1.00 0.00 C ATOM 160 OG SER A 25 5.682 15.072 0.418 1.00 0.00 O ATOM 0 H SER A 25 4.744 12.967 -1.497 1.00 0.00 H new ATOM 0 HA SER A 25 6.244 12.482 0.023 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.420 14.188 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.128 13.901 2.055 1.00 0.00 H new ATOM 0 HG SER A 25 5.739 15.902 0.936 1.00 0.00 H new ATOM 161 N ALA A 26 4.791 10.291 0.799 1.00 0.00 N ATOM 162 CA ALA A 26 4.508 9.180 1.687 1.00 0.00 C ATOM 163 C ALA A 26 5.630 8.935 2.686 1.00 0.00 C ATOM 164 O ALA A 26 6.806 9.178 2.435 1.00 0.00 O ATOM 165 CB ALA A 26 4.273 7.894 0.903 1.00 0.00 C ATOM 0 H ALA A 26 4.853 10.075 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 26 3.606 9.457 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.063 7.079 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.425 8.027 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.163 7.655 0.320 1.00 0.00 H new ATOM 166 N LYS A 27 5.231 8.453 3.853 1.00 0.00 N ATOM 167 CA LYS A 27 6.153 8.040 4.886 1.00 0.00 C ATOM 168 C LYS A 27 6.756 6.742 4.330 1.00 0.00 C ATOM 169 O LYS A 27 6.110 6.101 3.496 1.00 0.00 O ATOM 170 CB LYS A 27 5.379 7.840 6.200 1.00 0.00 C ATOM 171 CG LYS A 27 5.124 9.155 6.962 1.00 0.00 C ATOM 172 CD LYS A 27 4.502 10.306 6.150 1.00 0.00 C ATOM 173 CE LYS A 27 3.071 10.024 5.671 1.00 0.00 C ATOM 174 NZ LYS A 27 2.657 11.004 4.648 1.00 0.00 N ATOM 0 H LYS A 27 4.250 8.339 4.106 1.00 0.00 H new ATOM 0 HA LYS A 27 6.936 8.761 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.423 7.363 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.936 7.158 6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.469 8.939 7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.072 9.501 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.499 11.209 6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.132 10.509 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.012 9.016 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.385 10.064 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.838 10.635 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.398 11.899 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.443 11.170 3.988 1.00 0.00 H new ATOM 175 N PRO A 28 7.980 6.352 4.714 1.00 0.00 N ATOM 176 CA PRO A 28 8.583 5.133 4.201 1.00 0.00 C ATOM 177 C PRO A 28 7.611 3.972 4.412 1.00 0.00 C ATOM 178 O PRO A 28 7.290 3.634 5.550 1.00 0.00 O ATOM 179 CB PRO A 28 9.903 4.962 4.962 1.00 0.00 C ATOM 180 CG PRO A 28 9.716 5.817 6.218 1.00 0.00 C ATOM 181 CD PRO A 28 8.818 6.955 5.734 1.00 0.00 C ATOM 0 HA PRO A 28 8.789 5.168 3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 28 10.087 3.917 5.213 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.753 5.302 4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.250 5.251 7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.668 6.189 6.598 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.220 7.362 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 28 9.406 7.779 5.328 1.00 0.00 H new ATOM 182 N VAL A 29 7.108 3.385 3.319 1.00 0.00 N ATOM 183 CA VAL A 29 6.175 2.273 3.429 1.00 0.00 C ATOM 184 C VAL A 29 6.930 1.082 4.040 1.00 0.00 C ATOM 185 O VAL A 29 6.323 0.196 4.637 1.00 0.00 O ATOM 186 CB VAL A 29 5.521 1.964 2.070 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.757 0.644 2.107 1.00 0.00 C ATOM 188 CG2 VAL A 29 4.453 3.008 1.716 1.00 0.00 C ATOM 0 H VAL A 29 7.332 3.662 2.363 1.00 0.00 H new ATOM 0 HA VAL A 29 5.343 2.522 4.088 1.00 0.00 H new ATOM 0 HB VAL A 29 6.341 1.947 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.308 0.456 1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.443 -0.167 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.974 0.698 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.010 2.762 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.677 3.009 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.912 3.995 1.663 1.00 0.00 H new ATOM 189 N LYS A 30 8.258 1.060 3.866 1.00 0.00 N ATOM 190 CA LYS A 30 9.199 0.081 4.378 1.00 0.00 C ATOM 191 C LYS A 30 8.962 -0.317 5.837 1.00 0.00 C ATOM 192 O LYS A 30 9.556 0.196 6.783 1.00 0.00 O ATOM 193 CB LYS A 30 10.607 0.630 4.201 1.00 0.00 C ATOM 194 CG LYS A 30 11.662 -0.480 4.281 1.00 0.00 C ATOM 195 CD LYS A 30 13.070 0.109 4.126 1.00 0.00 C ATOM 196 CE LYS A 30 14.149 -0.970 4.283 1.00 0.00 C ATOM 197 NZ LYS A 30 13.970 -2.080 3.328 1.00 0.00 N ATOM 0 H LYS A 30 8.727 1.784 3.322 1.00 0.00 H new ATOM 0 HA LYS A 30 9.055 -0.836 3.806 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.682 1.135 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.806 1.377 4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.581 -0.999 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.482 -1.219 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.163 0.579 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.223 0.890 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.132 -0.522 4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.125 -1.361 5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.846 -2.639 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.189 -2.689 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.749 -1.696 2.387 1.00 0.00 H new ATOM 198 N GLY A 31 8.088 -1.295 5.976 1.00 0.00 N ATOM 199 CA GLY A 31 7.693 -1.891 7.232 1.00 0.00 C ATOM 200 C GLY A 31 6.789 -0.949 8.009 1.00 0.00 C ATOM 201 O GLY A 31 6.960 -0.795 9.215 1.00 0.00 O ATOM 0 H GLY A 31 7.613 -1.714 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.174 -2.832 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.578 -2.126 7.824 1.00 0.00 H new ATOM 202 N GLN A 32 5.818 -0.330 7.319 1.00 0.00 N ATOM 203 CA GLN A 32 4.871 0.594 7.953 1.00 0.00 C ATOM 204 C GLN A 32 4.261 -0.111 9.189 1.00 0.00 C ATOM 205 O GLN A 32 4.111 0.479 10.255 1.00 0.00 O ATOM 206 CB GLN A 32 3.855 1.142 6.924 1.00 0.00 C ATOM 207 CG GLN A 32 3.805 2.688 6.753 1.00 0.00 C ATOM 208 CD GLN A 32 3.261 3.114 5.373 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.859 2.251 4.602 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.314 4.397 4.978 1.00 0.00 N ATOM 0 H GLN A 32 5.670 -0.455 6.318 1.00 0.00 H new ATOM 0 HA GLN A 32 5.369 1.491 8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.079 0.699 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.861 0.798 7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.178 3.116 7.535 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.806 3.097 6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.649 5.115 5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.019 4.653 4.036 1.00 0.00 H new ATOM 211 N GLY A 33 3.933 -1.396 9.020 1.00 0.00 N ATOM 212 CA GLY A 33 3.483 -2.345 10.031 1.00 0.00 C ATOM 213 C GLY A 33 3.249 -3.697 9.346 1.00 0.00 C ATOM 214 O GLY A 33 4.192 -4.365 8.935 1.00 0.00 O ATOM 0 H GLY A 33 3.981 -1.829 8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.229 -2.442 10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.565 -1.993 10.502 1.00 0.00 H new ATOM 215 N ALA A 34 1.973 -4.052 9.192 1.00 0.00 N ATOM 216 CA ALA A 34 1.372 -5.222 8.539 1.00 0.00 C ATOM 217 C ALA A 34 -0.093 -5.080 8.905 1.00 0.00 C ATOM 218 O ALA A 34 -0.935 -4.908 8.033 1.00 0.00 O ATOM 219 CB ALA A 34 1.936 -6.587 8.939 1.00 0.00 C ATOM 0 H ALA A 34 1.241 -3.450 9.570 1.00 0.00 H new ATOM 0 HA ALA A 34 1.584 -5.220 7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.413 -7.371 8.391 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.999 -6.625 8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.798 -6.738 10.010 1.00 0.00 H new ATOM 220 N GLU A 35 -0.376 -5.059 10.212 1.00 0.00 N ATOM 221 CA GLU A 35 -1.720 -4.777 10.692 1.00 0.00 C ATOM 222 C GLU A 35 -2.018 -3.339 10.246 1.00 0.00 C ATOM 223 O GLU A 35 -3.099 -3.050 9.746 1.00 0.00 O ATOM 224 CB GLU A 35 -1.782 -4.941 12.216 1.00 0.00 C ATOM 225 CG GLU A 35 -3.211 -4.742 12.739 1.00 0.00 C ATOM 226 CD GLU A 35 -3.273 -4.919 14.252 1.00 0.00 C ATOM 227 OE1 GLU A 35 -2.969 -3.928 14.949 1.00 0.00 O ATOM 228 OE2 GLU A 35 -3.609 -6.044 14.680 1.00 0.00 O ATOM 0 H GLU A 35 0.308 -5.234 10.948 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.464 -5.464 10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.426 -5.934 12.492 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.115 -4.220 12.689 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.564 -3.746 12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.880 -5.456 12.259 1.00 0.00 H new ATOM 229 N GLU A 36 -1.017 -2.458 10.401 1.00 0.00 N ATOM 230 CA GLU A 36 -1.066 -1.062 9.993 1.00 0.00 C ATOM 231 C GLU A 36 -1.430 -1.002 8.511 1.00 0.00 C ATOM 232 O GLU A 36 -2.507 -0.553 8.131 1.00 0.00 O ATOM 233 CB GLU A 36 0.322 -0.420 10.249 1.00 0.00 C ATOM 234 CG GLU A 36 0.345 1.102 10.085 1.00 0.00 C ATOM 235 CD GLU A 36 -0.633 1.794 11.028 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.257 1.972 12.207 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.742 2.117 10.555 1.00 0.00 O ATOM 0 H GLU A 36 -0.127 -2.715 10.828 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.816 -0.513 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.646 -0.671 11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.046 -0.860 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.353 1.472 10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.099 1.359 9.055 1.00 0.00 H new ATOM 238 N LEU A 37 -0.502 -1.493 7.688 1.00 0.00 N ATOM 239 CA LEU A 37 -0.595 -1.571 6.243 1.00 0.00 C ATOM 240 C LEU A 37 -1.970 -2.090 5.816 1.00 0.00 C ATOM 241 O LEU A 37 -2.628 -1.498 4.966 1.00 0.00 O ATOM 242 CB LEU A 37 0.531 -2.504 5.774 1.00 0.00 C ATOM 243 CG LEU A 37 1.921 -1.863 5.942 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.047 -2.896 5.938 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.162 -0.913 4.777 1.00 0.00 C ATOM 0 H LEU A 37 0.380 -1.865 8.039 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.484 -0.587 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.490 -3.434 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.375 -2.762 4.726 1.00 0.00 H new ATOM 0 HG LEU A 37 1.929 -1.350 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.005 -2.390 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.900 -3.597 6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.040 -3.438 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.143 -0.451 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.121 -1.468 3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.395 -0.139 4.774 1.00 0.00 H new ATOM 246 N TYR A 38 -2.413 -3.192 6.417 1.00 0.00 N ATOM 247 CA TYR A 38 -3.691 -3.810 6.121 1.00 0.00 C ATOM 248 C TYR A 38 -4.860 -2.904 6.474 1.00 0.00 C ATOM 249 O TYR A 38 -5.739 -2.704 5.644 1.00 0.00 O ATOM 250 CB TYR A 38 -3.803 -5.109 6.910 1.00 0.00 C ATOM 251 CG TYR A 38 -5.159 -5.779 6.806 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.548 -6.421 5.614 1.00 0.00 C ATOM 253 CD2 TYR A 38 -6.101 -5.581 7.833 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.866 -6.890 5.466 1.00 0.00 C ATOM 255 CE2 TYR A 38 -7.423 -6.020 7.670 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.806 -6.679 6.491 1.00 0.00 C ATOM 257 OH TYR A 38 -9.097 -7.088 6.357 1.00 0.00 O ATOM 0 H TYR A 38 -1.881 -3.684 7.134 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.735 -4.001 5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.039 -5.802 6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.590 -4.904 7.959 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.835 -6.553 4.814 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.805 -5.090 8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.156 -7.412 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.148 -5.851 8.453 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.220 -7.501 5.477 1.00 0.00 H new ATOM 258 N LYS A 39 -4.903 -2.389 7.703 1.00 0.00 N ATOM 259 CA LYS A 39 -5.991 -1.532 8.141 1.00 0.00 C ATOM 260 C LYS A 39 -6.076 -0.315 7.222 1.00 0.00 C ATOM 261 O LYS A 39 -7.159 0.106 6.815 1.00 0.00 O ATOM 262 CB LYS A 39 -5.735 -1.128 9.600 1.00 0.00 C ATOM 263 CG LYS A 39 -6.887 -0.312 10.199 1.00 0.00 C ATOM 264 CD LYS A 39 -6.571 0.016 11.663 1.00 0.00 C ATOM 265 CE LYS A 39 -7.703 0.833 12.292 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.410 1.155 13.700 1.00 0.00 N ATOM 0 H LYS A 39 -4.189 -2.555 8.413 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.946 -2.054 8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.581 -2.025 10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.815 -0.546 9.655 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.030 0.608 9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.818 -0.875 10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.427 -0.907 12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.637 0.574 11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.847 1.755 11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.636 0.273 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.194 1.709 14.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.297 0.274 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.532 1.710 13.754 1.00 0.00 H new ATOM 267 N LYS A 40 -4.914 0.230 6.871 1.00 0.00 N ATOM 268 CA LYS A 40 -4.807 1.396 6.036 1.00 0.00 C ATOM 269 C LYS A 40 -5.298 1.093 4.621 1.00 0.00 C ATOM 270 O LYS A 40 -6.118 1.830 4.070 1.00 0.00 O ATOM 271 CB LYS A 40 -3.342 1.812 6.077 1.00 0.00 C ATOM 272 CG LYS A 40 -2.924 2.453 7.409 1.00 0.00 C ATOM 273 CD LYS A 40 -3.493 3.870 7.553 1.00 0.00 C ATOM 274 CE LYS A 40 -2.951 4.606 8.783 1.00 0.00 C ATOM 275 NZ LYS A 40 -1.498 4.835 8.685 1.00 0.00 N ATOM 0 H LYS A 40 -4.012 -0.142 7.170 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.435 2.213 6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.719 0.937 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.150 2.516 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.271 1.834 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.836 2.488 7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.256 4.445 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.580 3.815 7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.464 5.562 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.168 4.025 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.170 5.350 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.006 3.921 8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.292 5.396 7.834 1.00 0.00 H new ATOM 276 N MET A 41 -4.812 0.002 4.024 1.00 0.00 N ATOM 277 CA MET A 41 -5.238 -0.377 2.693 1.00 0.00 C ATOM 278 C MET A 41 -6.716 -0.716 2.694 1.00 0.00 C ATOM 279 O MET A 41 -7.386 -0.370 1.737 1.00 0.00 O ATOM 280 CB MET A 41 -4.432 -1.549 2.163 1.00 0.00 C ATOM 281 CG MET A 41 -3.056 -1.090 1.688 1.00 0.00 C ATOM 282 SD MET A 41 -2.183 -2.348 0.740 1.00 0.00 S ATOM 283 CE MET A 41 -2.120 -3.616 2.015 1.00 0.00 C ATOM 0 H MET A 41 -4.127 -0.625 4.446 1.00 0.00 H new ATOM 0 HA MET A 41 -5.065 0.473 2.032 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.320 -2.302 2.943 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.967 -2.021 1.339 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.169 -0.195 1.076 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.454 -0.811 2.553 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.287 -4.291 1.816 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.982 -3.146 2.989 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.052 -4.180 2.013 1.00 0.00 H new ATOM 284 N LYS A 42 -7.240 -1.398 3.716 1.00 0.00 N ATOM 285 CA LYS A 42 -8.668 -1.677 3.784 1.00 0.00 C ATOM 286 C LYS A 42 -9.383 -0.324 3.773 1.00 0.00 C ATOM 287 O LYS A 42 -10.368 -0.133 3.061 1.00 0.00 O ATOM 288 CB LYS A 42 -8.993 -2.507 5.033 1.00 0.00 C ATOM 289 CG LYS A 42 -10.500 -2.783 5.109 1.00 0.00 C ATOM 290 CD LYS A 42 -10.815 -3.829 6.184 1.00 0.00 C ATOM 291 CE LYS A 42 -12.325 -3.928 6.436 1.00 0.00 C ATOM 292 NZ LYS A 42 -13.082 -4.181 5.196 1.00 0.00 N ATOM 0 H LYS A 42 -6.698 -1.763 4.499 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.004 -2.274 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.445 -3.449 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.668 -1.975 5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.032 -1.858 5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.858 -3.133 4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.431 -4.801 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.305 -3.566 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.521 -4.729 7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.677 -3.003 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.056 -4.457 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.099 -3.317 4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.626 -4.947 4.661 1.00 0.00 H new ATOM 293 N GLY A 43 -8.847 0.625 4.546 1.00 0.00 N ATOM 294 CA GLY A 43 -9.346 1.980 4.608 1.00 0.00 C ATOM 295 C GLY A 43 -9.457 2.555 3.197 1.00 0.00 C ATOM 296 O GLY A 43 -10.539 2.977 2.801 1.00 0.00 O ATOM 0 H GLY A 43 -8.043 0.460 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.321 1.996 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.678 2.596 5.210 1.00 0.00 H new ATOM 297 N TYR A 44 -8.367 2.564 2.419 1.00 0.00 N ATOM 298 CA TYR A 44 -8.422 3.098 1.060 1.00 0.00 C ATOM 299 C TYR A 44 -9.367 2.267 0.185 1.00 0.00 C ATOM 300 O TYR A 44 -10.201 2.828 -0.517 1.00 0.00 O ATOM 301 CB TYR A 44 -7.024 3.127 0.437 1.00 0.00 C ATOM 302 CG TYR A 44 -6.066 4.153 1.008 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.305 5.531 0.827 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.839 3.727 1.545 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.313 6.468 1.168 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.848 4.666 1.859 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.067 6.030 1.636 1.00 0.00 C ATOM 308 OH TYR A 44 -3.064 6.909 1.895 1.00 0.00 O ATOM 0 H TYR A 44 -7.453 2.213 2.704 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.805 4.117 1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.577 2.139 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.128 3.311 -0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.250 5.867 0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.660 2.676 1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.512 7.525 1.069 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.908 4.335 2.276 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.029 7.584 1.185 1.00 0.00 H new ATOM 309 N ALA A 45 -9.243 0.938 0.233 1.00 0.00 N ATOM 310 CA ALA A 45 -10.030 -0.028 -0.525 1.00 0.00 C ATOM 311 C ALA A 45 -11.516 0.337 -0.441 1.00 0.00 C ATOM 312 O ALA A 45 -12.199 0.445 -1.457 1.00 0.00 O ATOM 313 CB ALA A 45 -9.834 -1.444 0.027 1.00 0.00 C ATOM 0 H ALA A 45 -8.554 0.487 0.834 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.695 -0.002 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.431 -2.147 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.781 -1.719 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.150 -1.475 1.070 1.00 0.00 H new ATOM 314 N ASP A 46 -11.993 0.554 0.792 1.00 0.00 N ATOM 315 CA ASP A 46 -13.381 0.883 1.098 1.00 0.00 C ATOM 316 C ASP A 46 -13.636 2.397 1.145 1.00 0.00 C ATOM 317 O ASP A 46 -14.671 2.820 1.654 1.00 0.00 O ATOM 318 CB ASP A 46 -13.751 0.244 2.450 1.00 0.00 C ATOM 319 CG ASP A 46 -13.578 -1.275 2.476 1.00 0.00 C ATOM 320 OD1 ASP A 46 -13.870 -1.909 1.440 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.169 -1.782 3.545 1.00 0.00 O ATOM 0 H ASP A 46 -11.403 0.503 1.623 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.006 0.487 0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.133 0.685 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.787 0.488 2.686 1.00 0.00 H new ATOM 322 N GLY A 47 -12.712 3.225 0.644 1.00 0.00 N ATOM 323 CA GLY A 47 -12.827 4.681 0.623 1.00 0.00 C ATOM 324 C GLY A 47 -13.154 5.289 1.992 1.00 0.00 C ATOM 325 O GLY A 47 -13.824 6.316 2.069 1.00 0.00 O ATOM 0 H GLY A 47 -11.842 2.888 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.891 5.106 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.603 4.966 -0.087 1.00 0.00 H new ATOM 326 N SER A 48 -12.649 4.676 3.066 1.00 0.00 N ATOM 327 CA SER A 48 -12.857 5.070 4.451 1.00 0.00 C ATOM 328 C SER A 48 -11.547 5.514 5.116 1.00 0.00 C ATOM 329 O SER A 48 -11.390 5.351 6.326 1.00 0.00 O ATOM 330 CB SER A 48 -13.470 3.868 5.179 1.00 0.00 C ATOM 331 OG SER A 48 -13.851 4.221 6.493 1.00 0.00 O ATOM 0 H SER A 48 -12.055 3.851 2.983 1.00 0.00 H new ATOM 0 HA SER A 48 -13.526 5.929 4.500 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.338 3.507 4.628 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.750 3.050 5.211 1.00 0.00 H new ATOM 0 HG SER A 48 -13.134 4.741 6.913 1.00 0.00 H new ATOM 332 N TYR A 49 -10.604 6.059 4.344 1.00 0.00 N ATOM 333 CA TYR A 49 -9.319 6.554 4.818 1.00 0.00 C ATOM 334 C TYR A 49 -8.756 7.457 3.727 1.00 0.00 C ATOM 335 O TYR A 49 -9.245 7.431 2.597 1.00 0.00 O ATOM 336 CB TYR A 49 -8.369 5.387 5.127 1.00 0.00 C ATOM 337 CG TYR A 49 -6.992 5.800 5.614 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.862 6.510 6.822 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.860 5.596 4.801 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.618 7.049 7.191 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.614 6.127 5.178 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.495 6.870 6.365 1.00 0.00 C ATOM 343 OH TYR A 49 -3.277 7.300 6.798 1.00 0.00 O ATOM 0 H TYR A 49 -10.723 6.170 3.337 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.435 7.114 5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.831 4.751 5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.255 4.782 4.228 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.719 6.641 7.466 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.949 5.030 3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.524 7.603 8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.747 5.964 4.555 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.575 6.733 6.416 1.00 0.00 H new ATOM 344 N GLY A 50 -7.752 8.267 4.062 1.00 0.00 N ATOM 345 CA GLY A 50 -7.138 9.158 3.105 1.00 0.00 C ATOM 346 C GLY A 50 -5.756 9.618 3.536 1.00 0.00 C ATOM 347 O GLY A 50 -5.238 9.222 4.576 1.00 0.00 O ATOM 0 H GLY A 50 -7.351 8.317 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.065 8.655 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.778 10.029 2.962 1.00 0.00 H new ATOM 348 N GLY A 51 -5.185 10.469 2.690 1.00 0.00 N ATOM 349 CA GLY A 51 -3.905 11.087 2.725 1.00 0.00 C ATOM 350 C GLY A 51 -3.782 11.947 1.473 1.00 0.00 C ATOM 351 O GLY A 51 -4.695 11.982 0.642 1.00 0.00 O ATOM 0 H GLY A 51 -5.697 10.767 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.797 11.697 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.116 10.335 2.754 1.00 0.00 H new ATOM 352 N GLU A 52 -2.644 12.622 1.364 1.00 0.00 N ATOM 353 CA GLU A 52 -2.281 13.537 0.290 1.00 0.00 C ATOM 354 C GLU A 52 -2.525 12.976 -1.120 1.00 0.00 C ATOM 355 O GLU A 52 -2.712 13.777 -2.038 1.00 0.00 O ATOM 356 CB GLU A 52 -0.810 13.952 0.446 1.00 0.00 C ATOM 357 CG GLU A 52 -0.486 14.603 1.799 1.00 0.00 C ATOM 358 CD GLU A 52 -1.324 15.851 2.056 1.00 0.00 C ATOM 359 OE1 GLU A 52 -1.047 16.868 1.384 1.00 0.00 O ATOM 360 OE2 GLU A 52 -2.230 15.761 2.913 1.00 0.00 O ATOM 0 H GLU A 52 -1.907 12.540 2.064 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.938 14.402 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.179 13.073 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.553 14.649 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.659 13.881 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.571 14.865 1.830 1.00 0.00 H new ATOM 361 N ARG A 53 -2.502 11.652 -1.327 1.00 0.00 N ATOM 362 CA ARG A 53 -2.763 11.077 -2.653 1.00 0.00 C ATOM 363 C ARG A 53 -3.756 9.913 -2.545 1.00 0.00 C ATOM 364 O ARG A 53 -3.672 8.933 -3.290 1.00 0.00 O ATOM 365 CB ARG A 53 -1.445 10.683 -3.369 1.00 0.00 C ATOM 366 CG ARG A 53 -1.605 10.764 -4.895 1.00 0.00 C ATOM 367 CD ARG A 53 -1.075 12.091 -5.462 1.00 0.00 C ATOM 368 NE ARG A 53 -1.520 13.248 -4.672 1.00 0.00 N ATOM 369 CZ ARG A 53 -1.290 14.534 -4.955 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.644 14.886 -6.072 1.00 0.00 N ATOM 371 NH2 ARG A 53 -1.718 15.454 -4.087 1.00 0.00 N ATOM 0 H ARG A 53 -2.307 10.964 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.229 11.838 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.640 11.344 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.159 9.671 -3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.073 9.934 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.658 10.654 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.014 12.066 -5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.412 12.205 -6.492 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.056 13.051 -3.827 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.320 14.169 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.476 15.871 -6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.204 15.167 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.558 16.444 -4.273 1.00 0.00 H new ATOM 372 N LYS A 54 -4.761 10.070 -1.674 1.00 0.00 N ATOM 373 CA LYS A 54 -5.771 9.048 -1.441 1.00 0.00 C ATOM 374 C LYS A 54 -6.519 8.609 -2.698 1.00 0.00 C ATOM 375 O LYS A 54 -6.968 7.469 -2.760 1.00 0.00 O ATOM 376 CB LYS A 54 -6.771 9.519 -0.387 1.00 0.00 C ATOM 377 CG LYS A 54 -7.634 10.758 -0.682 1.00 0.00 C ATOM 378 CD LYS A 54 -8.952 10.508 -1.442 1.00 0.00 C ATOM 379 CE LYS A 54 -9.806 9.344 -0.914 1.00 0.00 C ATOM 380 NZ LYS A 54 -10.043 9.432 0.538 1.00 0.00 N ATOM 0 H LYS A 54 -4.891 10.913 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.226 8.173 -1.086 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.446 8.689 -0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.215 9.715 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.872 11.242 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.035 11.463 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.549 11.419 -1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.718 10.319 -2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.763 9.334 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.309 8.401 -1.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.527 8.669 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.708 10.352 0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.061 9.338 0.730 1.00 0.00 H new ATOM 381 N ALA A 55 -6.698 9.497 -3.679 1.00 0.00 N ATOM 382 CA ALA A 55 -7.421 9.167 -4.901 1.00 0.00 C ATOM 383 C ALA A 55 -6.685 8.059 -5.653 1.00 0.00 C ATOM 384 O ALA A 55 -7.243 6.988 -5.910 1.00 0.00 O ATOM 385 CB ALA A 55 -7.574 10.426 -5.761 1.00 0.00 C ATOM 0 H ALA A 55 -6.348 10.455 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.418 8.800 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.115 10.179 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.128 11.182 -5.204 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.588 10.814 -6.017 1.00 0.00 H new ATOM 386 N MET A 56 -5.424 8.326 -5.997 1.00 0.00 N ATOM 387 CA MET A 56 -4.574 7.377 -6.693 1.00 0.00 C ATOM 388 C MET A 56 -4.503 6.108 -5.851 1.00 0.00 C ATOM 389 O MET A 56 -4.731 5.015 -6.360 1.00 0.00 O ATOM 390 CB MET A 56 -3.172 7.964 -6.905 1.00 0.00 C ATOM 391 CG MET A 56 -3.099 9.024 -8.016 1.00 0.00 C ATOM 392 SD MET A 56 -4.002 10.578 -7.759 1.00 0.00 S ATOM 393 CE MET A 56 -5.444 10.292 -8.811 1.00 0.00 C ATOM 0 H MET A 56 -4.967 9.215 -5.796 1.00 0.00 H new ATOM 0 HA MET A 56 -4.986 7.153 -7.677 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.830 8.408 -5.970 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.483 7.154 -7.144 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.049 9.269 -8.178 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.466 8.571 -8.937 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.105 11.158 -8.766 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.119 10.137 -9.840 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.979 9.409 -8.462 1.00 0.00 H new ATOM 394 N MET A 57 -4.233 6.265 -4.552 1.00 0.00 N ATOM 395 CA MET A 57 -4.134 5.139 -3.640 1.00 0.00 C ATOM 396 C MET A 57 -5.382 4.257 -3.676 1.00 0.00 C ATOM 397 O MET A 57 -5.288 3.041 -3.828 1.00 0.00 O ATOM 398 CB MET A 57 -3.871 5.663 -2.220 1.00 0.00 C ATOM 399 CG MET A 57 -2.375 5.653 -1.908 1.00 0.00 C ATOM 400 SD MET A 57 -1.592 4.036 -2.118 1.00 0.00 S ATOM 401 CE MET A 57 -2.562 2.961 -1.034 1.00 0.00 C ATOM 0 H MET A 57 -4.079 7.172 -4.112 1.00 0.00 H new ATOM 0 HA MET A 57 -3.302 4.510 -3.958 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.261 6.676 -2.123 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.403 5.046 -1.495 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.875 6.374 -2.554 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.226 5.987 -0.881 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.342 1.918 -1.264 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.305 3.165 0.005 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.624 3.151 -1.189 1.00 0.00 H new ATOM 402 N THR A 58 -6.565 4.850 -3.546 1.00 0.00 N ATOM 403 CA THR A 58 -7.799 4.085 -3.573 1.00 0.00 C ATOM 404 C THR A 58 -7.887 3.321 -4.889 1.00 0.00 C ATOM 405 O THR A 58 -8.127 2.118 -4.876 1.00 0.00 O ATOM 406 CB THR A 58 -8.993 5.031 -3.374 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.891 5.631 -2.099 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.330 4.293 -3.485 1.00 0.00 C ATOM 0 H THR A 58 -6.691 5.854 -3.422 1.00 0.00 H new ATOM 0 HA THR A 58 -7.816 3.357 -2.762 1.00 0.00 H new ATOM 0 HB THR A 58 -8.966 5.786 -4.160 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.221 6.346 -2.127 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.148 4.998 -3.338 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.415 3.840 -4.473 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.380 3.515 -2.723 1.00 0.00 H new ATOM 409 N ASN A 59 -7.660 3.992 -6.021 1.00 0.00 N ATOM 410 CA ASN A 59 -7.697 3.311 -7.313 1.00 0.00 C ATOM 411 C ASN A 59 -6.672 2.169 -7.330 1.00 0.00 C ATOM 412 O ASN A 59 -6.933 1.106 -7.888 1.00 0.00 O ATOM 413 CB ASN A 59 -7.419 4.298 -8.456 1.00 0.00 C ATOM 414 CG ASN A 59 -8.644 5.140 -8.798 1.00 0.00 C ATOM 415 OD1 ASN A 59 -9.385 4.819 -9.720 1.00 0.00 O ATOM 416 ND2 ASN A 59 -8.878 6.228 -8.072 1.00 0.00 N ATOM 0 H ASN A 59 -7.452 4.989 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.694 2.895 -7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.595 4.954 -8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.100 3.747 -9.341 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.687 6.814 -8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.249 6.477 -7.309 1.00 0.00 H new ATOM 417 N ALA A 60 -5.514 2.381 -6.701 1.00 0.00 N ATOM 418 CA ALA A 60 -4.440 1.410 -6.642 1.00 0.00 C ATOM 419 C ALA A 60 -4.844 0.145 -5.878 1.00 0.00 C ATOM 420 O ALA A 60 -4.594 -0.954 -6.368 1.00 0.00 O ATOM 421 CB ALA A 60 -3.205 2.065 -6.000 1.00 0.00 C ATOM 0 H ALA A 60 -5.301 3.251 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.205 1.096 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.392 1.340 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.894 2.920 -6.600 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.453 2.399 -4.993 1.00 0.00 H new ATOM 422 N VAL A 61 -5.478 0.266 -4.704 1.00 0.00 N ATOM 423 CA VAL A 61 -5.773 -0.927 -3.902 1.00 0.00 C ATOM 424 C VAL A 61 -7.187 -1.470 -4.100 1.00 0.00 C ATOM 425 O VAL A 61 -7.402 -2.654 -3.865 1.00 0.00 O ATOM 426 CB VAL A 61 -5.573 -0.633 -2.404 1.00 0.00 C ATOM 427 CG1 VAL A 61 -4.400 0.287 -2.100 1.00 0.00 C ATOM 428 CG2 VAL A 61 -6.797 -0.125 -1.661 1.00 0.00 C ATOM 0 H VAL A 61 -5.788 1.149 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.075 -1.688 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.353 -1.631 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.329 0.443 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.478 -0.167 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.551 1.246 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.542 0.049 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.135 0.808 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.593 -0.867 -1.722 1.00 0.00 H new ATOM 429 N LYS A 62 -8.167 -0.648 -4.486 1.00 0.00 N ATOM 430 CA LYS A 62 -9.550 -1.102 -4.613 1.00 0.00 C ATOM 431 C LYS A 62 -9.690 -2.274 -5.589 1.00 0.00 C ATOM 432 O LYS A 62 -10.633 -3.054 -5.480 1.00 0.00 O ATOM 433 CB LYS A 62 -10.452 0.086 -4.973 1.00 0.00 C ATOM 434 CG LYS A 62 -11.936 -0.259 -4.792 1.00 0.00 C ATOM 435 CD LYS A 62 -12.784 1.017 -4.772 1.00 0.00 C ATOM 436 CE LYS A 62 -14.245 0.672 -4.466 1.00 0.00 C ATOM 437 NZ LYS A 62 -15.076 1.884 -4.378 1.00 0.00 N ATOM 0 H LYS A 62 -8.025 0.336 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.878 -1.494 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.197 0.941 -4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.270 0.383 -6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.266 -0.909 -5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.077 -0.811 -3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.400 1.707 -4.021 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.716 1.524 -5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.636 0.016 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.301 0.121 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.059 1.616 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.716 2.497 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.041 2.396 -5.283 1.00 0.00 H new ATOM 438 N LYS A 63 -8.755 -2.421 -6.533 1.00 0.00 N ATOM 439 CA LYS A 63 -8.773 -3.537 -7.469 1.00 0.00 C ATOM 440 C LYS A 63 -8.327 -4.849 -6.793 1.00 0.00 C ATOM 441 O LYS A 63 -8.320 -5.887 -7.450 1.00 0.00 O ATOM 442 CB LYS A 63 -7.922 -3.203 -8.706 1.00 0.00 C ATOM 443 CG LYS A 63 -6.513 -2.658 -8.420 1.00 0.00 C ATOM 444 CD LYS A 63 -5.719 -2.641 -9.735 1.00 0.00 C ATOM 445 CE LYS A 63 -4.441 -1.799 -9.646 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.512 -2.298 -8.619 1.00 0.00 N ATOM 0 H LYS A 63 -7.976 -1.776 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.799 -3.696 -7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.827 -4.104 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.460 -2.470 -9.307 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.574 -1.653 -8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.009 -3.281 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.457 -3.663 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.352 -2.249 -10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.941 -1.798 -10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.705 -0.765 -9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.533 -2.112 -8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.698 -1.813 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.648 -3.322 -8.496 1.00 0.00 H new ATOM 447 N TYR A 64 -7.947 -4.826 -5.508 1.00 0.00 N ATOM 448 CA TYR A 64 -7.522 -5.956 -4.725 1.00 0.00 C ATOM 449 C TYR A 64 -8.564 -6.204 -3.635 1.00 0.00 C ATOM 450 O TYR A 64 -9.207 -5.292 -3.121 1.00 0.00 O ATOM 451 CB TYR A 64 -6.157 -5.651 -4.105 1.00 0.00 C ATOM 452 CG TYR A 64 -5.051 -5.264 -5.068 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.961 -5.838 -6.351 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.057 -4.368 -4.640 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.872 -5.529 -7.182 1.00 0.00 C ATOM 456 CE2 TYR A 64 -2.946 -4.101 -5.456 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.822 -4.731 -6.705 1.00 0.00 C ATOM 458 OH TYR A 64 -1.723 -4.538 -7.488 1.00 0.00 O ATOM 0 H TYR A 64 -7.933 -3.959 -4.971 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.430 -6.846 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.282 -4.842 -3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.832 -6.528 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.729 -6.515 -6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.148 -3.883 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.843 -5.908 -8.193 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.186 -3.410 -5.123 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.915 -4.745 -6.974 1.00 0.00 H new ATOM 459 N SER A 65 -8.701 -7.478 -3.302 1.00 0.00 N ATOM 460 CA SER A 65 -9.605 -8.044 -2.311 1.00 0.00 C ATOM 461 C SER A 65 -8.866 -8.276 -0.995 1.00 0.00 C ATOM 462 O SER A 65 -7.640 -8.248 -0.969 1.00 0.00 O ATOM 463 CB SER A 65 -10.164 -9.361 -2.861 1.00 0.00 C ATOM 464 OG SER A 65 -9.123 -10.299 -3.061 1.00 0.00 O ATOM 0 H SER A 65 -8.139 -8.200 -3.753 1.00 0.00 H new ATOM 0 HA SER A 65 -10.426 -7.354 -2.114 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.899 -9.768 -2.167 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.682 -9.178 -3.803 1.00 0.00 H new ATOM 0 HG SER A 65 -8.614 -10.056 -3.862 1.00 0.00 H new ATOM 465 N ASP A 66 -9.605 -8.544 0.085 1.00 0.00 N ATOM 466 CA ASP A 66 -9.068 -8.781 1.423 1.00 0.00 C ATOM 467 C ASP A 66 -7.796 -9.636 1.428 1.00 0.00 C ATOM 468 O ASP A 66 -6.799 -9.260 2.041 1.00 0.00 O ATOM 469 CB ASP A 66 -10.144 -9.466 2.274 1.00 0.00 C ATOM 470 CG ASP A 66 -9.590 -9.849 3.641 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.431 -8.920 4.460 1.00 0.00 O ATOM 472 OD2 ASP A 66 -9.313 -11.052 3.833 1.00 0.00 O ATOM 0 H ASP A 66 -10.623 -8.603 0.049 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.792 -7.810 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.997 -8.798 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.507 -10.357 1.761 1.00 0.00 H new ATOM 473 N GLU A 67 -7.826 -10.783 0.747 1.00 0.00 N ATOM 474 CA GLU A 67 -6.682 -11.685 0.718 1.00 0.00 C ATOM 475 C GLU A 67 -5.478 -11.008 0.056 1.00 0.00 C ATOM 476 O GLU A 67 -4.364 -11.048 0.574 1.00 0.00 O ATOM 477 CB GLU A 67 -7.073 -12.986 0.000 1.00 0.00 C ATOM 478 CG GLU A 67 -6.076 -14.118 0.288 1.00 0.00 C ATOM 479 CD GLU A 67 -6.167 -14.604 1.735 1.00 0.00 C ATOM 480 OE1 GLU A 67 -7.053 -15.447 1.992 1.00 0.00 O ATOM 481 OE2 GLU A 67 -5.365 -14.114 2.560 1.00 0.00 O ATOM 0 H GLU A 67 -8.631 -11.106 0.210 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.388 -11.933 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.070 -13.291 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.121 -12.808 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.268 -14.952 -0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.063 -13.770 0.085 1.00 0.00 H new ATOM 482 N GLU A 68 -5.705 -10.376 -1.095 1.00 0.00 N ATOM 483 CA GLU A 68 -4.664 -9.683 -1.831 1.00 0.00 C ATOM 484 C GLU A 68 -4.094 -8.552 -0.969 1.00 0.00 C ATOM 485 O GLU A 68 -2.882 -8.378 -0.887 1.00 0.00 O ATOM 486 CB GLU A 68 -5.267 -9.157 -3.135 1.00 0.00 C ATOM 487 CG GLU A 68 -5.658 -10.285 -4.095 1.00 0.00 C ATOM 488 CD GLU A 68 -6.396 -9.716 -5.299 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.582 -9.372 -5.104 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.762 -9.607 -6.369 1.00 0.00 O ATOM 0 H GLU A 68 -6.622 -10.334 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.841 -10.356 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.147 -8.555 -2.908 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.549 -8.499 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.766 -10.818 -4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.290 -11.008 -3.580 1.00 0.00 H new ATOM 491 N LEU A 69 -4.966 -7.783 -0.318 1.00 0.00 N ATOM 492 CA LEU A 69 -4.578 -6.693 0.563 1.00 0.00 C ATOM 493 C LEU A 69 -3.716 -7.244 1.707 1.00 0.00 C ATOM 494 O LEU A 69 -2.669 -6.687 2.035 1.00 0.00 O ATOM 495 CB LEU A 69 -5.845 -6.003 1.085 1.00 0.00 C ATOM 496 CG LEU A 69 -6.632 -5.207 0.031 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.793 -4.493 0.730 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.776 -4.179 -0.707 1.00 0.00 C ATOM 0 H LEU A 69 -5.976 -7.905 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.983 -5.955 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.503 -6.760 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.566 -5.328 1.894 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.989 -5.913 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.363 -3.922 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.443 -5.230 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.400 -3.817 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.390 -3.651 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.368 -3.465 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.959 -4.687 -1.220 1.00 0.00 H new ATOM 499 N LYS A 70 -4.140 -8.352 2.315 1.00 0.00 N ATOM 500 CA LYS A 70 -3.400 -8.994 3.391 1.00 0.00 C ATOM 501 C LYS A 70 -2.016 -9.421 2.881 1.00 0.00 C ATOM 502 O LYS A 70 -1.010 -9.181 3.548 1.00 0.00 O ATOM 503 CB LYS A 70 -4.233 -10.173 3.907 1.00 0.00 C ATOM 504 CG LYS A 70 -3.692 -10.785 5.203 1.00 0.00 C ATOM 505 CD LYS A 70 -4.422 -12.085 5.581 1.00 0.00 C ATOM 506 CE LYS A 70 -5.944 -11.933 5.741 1.00 0.00 C ATOM 507 NZ LYS A 70 -6.660 -12.052 4.456 1.00 0.00 N ATOM 0 H LYS A 70 -5.009 -8.827 2.071 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.230 -8.309 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.257 -9.839 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.270 -10.945 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.627 -10.988 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.795 -10.064 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.222 -12.836 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.006 -12.463 6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.312 -12.693 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.164 -10.964 6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.509 -12.639 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.940 -11.106 4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.037 -12.494 3.751 1.00 0.00 H new ATOM 508 N ALA A 71 -1.961 -10.027 1.689 1.00 0.00 N ATOM 509 CA ALA A 71 -0.720 -10.472 1.070 1.00 0.00 C ATOM 510 C ALA A 71 0.184 -9.270 0.843 1.00 0.00 C ATOM 511 O ALA A 71 1.374 -9.311 1.152 1.00 0.00 O ATOM 512 CB ALA A 71 -1.035 -11.215 -0.231 1.00 0.00 C ATOM 0 H ALA A 71 -2.789 -10.221 1.126 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.192 -11.167 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.106 -11.548 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.662 -12.080 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.561 -10.547 -0.913 1.00 0.00 H new ATOM 513 N LEU A 72 -0.379 -8.181 0.321 1.00 0.00 N ATOM 514 CA LEU A 72 0.381 -6.977 0.092 1.00 0.00 C ATOM 515 C LEU A 72 0.984 -6.461 1.382 1.00 0.00 C ATOM 516 O LEU A 72 2.169 -6.155 1.418 1.00 0.00 O ATOM 517 CB LEU A 72 -0.556 -5.901 -0.432 1.00 0.00 C ATOM 518 CG LEU A 72 -0.625 -5.978 -1.938 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.576 -4.886 -2.369 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.758 -5.677 -2.501 1.00 0.00 C ATOM 0 H LEU A 72 -1.361 -8.119 0.052 1.00 0.00 H new ATOM 0 HA LEU A 72 1.176 -7.205 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.550 -6.032 -0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.204 -4.917 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.952 -6.958 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.668 -4.891 -3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.555 -5.058 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.192 -3.920 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.727 -5.728 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.066 -4.678 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.472 -6.409 -2.124 1.00 0.00 H new ATOM 521 N ALA A 73 0.160 -6.306 2.419 1.00 0.00 N ATOM 522 CA ALA A 73 0.627 -5.782 3.688 1.00 0.00 C ATOM 523 C ALA A 73 1.736 -6.678 4.237 1.00 0.00 C ATOM 524 O ALA A 73 2.778 -6.178 4.650 1.00 0.00 O ATOM 525 CB ALA A 73 -0.548 -5.715 4.665 1.00 0.00 C ATOM 0 H ALA A 73 -0.833 -6.538 2.398 1.00 0.00 H new ATOM 0 HA ALA A 73 1.031 -4.779 3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.204 -5.322 5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.321 -5.061 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.958 -6.714 4.810 1.00 0.00 H new ATOM 526 N ASP A 74 1.511 -7.997 4.259 1.00 0.00 N ATOM 527 CA ASP A 74 2.516 -8.956 4.696 1.00 0.00 C ATOM 528 C ASP A 74 3.810 -8.720 3.911 1.00 0.00 C ATOM 529 O ASP A 74 4.886 -8.657 4.499 1.00 0.00 O ATOM 530 CB ASP A 74 2.000 -10.382 4.478 1.00 0.00 C ATOM 531 CG ASP A 74 3.075 -11.406 4.823 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.227 -11.680 6.032 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.723 -11.890 3.870 1.00 0.00 O ATOM 0 H ASP A 74 0.629 -8.422 3.974 1.00 0.00 H new ATOM 0 HA ASP A 74 2.719 -8.824 5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.118 -10.552 5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.692 -10.507 3.440 1.00 0.00 H new ATOM 534 N TYR A 75 3.704 -8.548 2.590 1.00 0.00 N ATOM 535 CA TYR A 75 4.872 -8.289 1.759 1.00 0.00 C ATOM 536 C TYR A 75 5.546 -6.996 2.220 1.00 0.00 C ATOM 537 O TYR A 75 6.715 -7.014 2.598 1.00 0.00 O ATOM 538 CB TYR A 75 4.523 -8.231 0.275 1.00 0.00 C ATOM 539 CG TYR A 75 5.745 -7.888 -0.556 1.00 0.00 C ATOM 540 CD1 TYR A 75 6.840 -8.773 -0.553 1.00 0.00 C ATOM 541 CD2 TYR A 75 5.909 -6.584 -1.060 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.089 -8.360 -1.047 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.151 -6.184 -1.581 1.00 0.00 C ATOM 544 CZ TYR A 75 8.245 -7.061 -1.555 1.00 0.00 C ATOM 545 OH TYR A 75 9.453 -6.643 -2.026 1.00 0.00 O ATOM 0 H TYR A 75 2.822 -8.584 2.079 1.00 0.00 H new ATOM 0 HA TYR A 75 5.567 -9.120 1.878 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.118 -9.191 -0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.745 -7.486 0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.719 -9.775 -0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.081 -5.891 -1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.927 -9.041 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.264 -5.196 -2.003 1.00 0.00 H new ATOM 0 HH TYR A 75 9.379 -5.718 -2.340 1.00 0.00 H new ATOM 546 N MET A 76 4.820 -5.874 2.177 1.00 0.00 N ATOM 547 CA MET A 76 5.315 -4.581 2.627 1.00 0.00 C ATOM 548 C MET A 76 5.954 -4.648 4.026 1.00 0.00 C ATOM 549 O MET A 76 6.876 -3.895 4.333 1.00 0.00 O ATOM 550 CB MET A 76 4.161 -3.587 2.627 1.00 0.00 C ATOM 551 CG MET A 76 3.847 -3.056 1.230 1.00 0.00 C ATOM 552 SD MET A 76 2.600 -1.753 1.267 1.00 0.00 S ATOM 553 CE MET A 76 1.107 -2.746 1.252 1.00 0.00 C ATOM 0 H MET A 76 3.863 -5.844 1.824 1.00 0.00 H new ATOM 0 HA MET A 76 6.098 -4.261 1.939 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.273 -4.066 3.038 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.405 -2.752 3.283 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.760 -2.672 0.775 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.497 -3.875 0.601 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.632 -2.675 0.273 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.360 -3.786 1.458 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.420 -2.382 2.016 1.00 0.00 H new ATOM 554 N SER A 77 5.454 -5.521 4.900 1.00 0.00 N ATOM 555 CA SER A 77 6.016 -5.701 6.233 1.00 0.00 C ATOM 556 C SER A 77 7.506 -6.072 6.144 1.00 0.00 C ATOM 557 O SER A 77 8.292 -5.665 6.996 1.00 0.00 O ATOM 558 CB SER A 77 5.233 -6.783 6.988 1.00 0.00 C ATOM 559 OG SER A 77 5.495 -6.708 8.374 1.00 0.00 O ATOM 0 H SER A 77 4.652 -6.119 4.703 1.00 0.00 H new ATOM 0 HA SER A 77 5.933 -4.762 6.781 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.165 -6.660 6.807 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.509 -7.768 6.613 1.00 0.00 H new ATOM 0 HG SER A 77 5.112 -5.881 8.735 1.00 0.00 H new ATOM 560 N LYS A 78 7.894 -6.825 5.106 1.00 0.00 N ATOM 561 CA LYS A 78 9.260 -7.270 4.857 1.00 0.00 C ATOM 562 C LYS A 78 9.774 -6.592 3.575 1.00 0.00 C ATOM 563 O LYS A 78 10.349 -7.239 2.699 1.00 0.00 O ATOM 564 CB LYS A 78 9.262 -8.806 4.770 1.00 0.00 C ATOM 565 CG LYS A 78 10.675 -9.414 4.803 1.00 0.00 C ATOM 566 CD LYS A 78 10.688 -10.843 4.239 1.00 0.00 C ATOM 567 CE LYS A 78 10.999 -10.876 2.734 1.00 0.00 C ATOM 568 NZ LYS A 78 10.056 -10.074 1.935 1.00 0.00 N ATOM 0 H LYS A 78 7.238 -7.149 4.395 1.00 0.00 H new ATOM 0 HA LYS A 78 9.935 -6.986 5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.680 -9.211 5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.763 -9.112 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.355 -8.788 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.044 -9.423 5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.431 -11.435 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.719 -11.310 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.011 -10.507 2.569 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.975 -11.909 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.262 -10.201 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.083 -10.384 2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.156 -9.069 2.185 1.00 0.00 H new ATOM 569 N LEU A 79 9.519 -5.289 3.458 1.00 0.00 N ATOM 570 CA LEU A 79 9.938 -4.449 2.346 1.00 0.00 C ATOM 571 C LEU A 79 11.364 -3.945 2.563 1.00 0.00 C ATOM 572 O LEU A 79 12.042 -3.677 1.548 1.00 0.00 O ATOM 573 CB LEU A 79 8.949 -3.290 2.299 1.00 0.00 C ATOM 574 CG LEU A 79 9.003 -2.302 1.135 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.911 -3.031 -0.194 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.751 -1.423 1.190 1.00 0.00 C ATOM 577 OXT LEU A 79 11.750 -3.796 3.745 1.00 0.00 O ATOM 0 H LEU A 79 8.994 -4.774 4.165 1.00 0.00 H new ATOM 0 HA LEU A 79 9.942 -5.000 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.946 -3.716 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.072 -2.718 3.219 1.00 0.00 H new ATOM 0 HG LEU A 79 9.933 -1.740 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.951 -2.308 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.744 -3.728 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.971 -3.581 -0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.771 -0.710 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.863 -2.049 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.727 -0.883 2.137 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.751 3.955 -2.068 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.334 5.337 0.999 1.00 5.52 C HETATM 581 CHB HEM A 80 0.151 0.868 -0.726 1.00 7.91 C HETATM 582 CHC HEM A 80 0.439 2.672 -5.227 1.00 6.02 C HETATM 583 CHD HEM A 80 1.386 7.052 -3.383 1.00 10.53 C HETATM 584 NA HEM A 80 0.461 3.236 -0.223 1.00 6.22 N HETATM 585 C1A HEM A 80 0.335 3.966 0.934 1.00 6.23 C HETATM 586 C2A HEM A 80 0.258 3.117 2.085 1.00 8.27 C HETATM 587 C3A HEM A 80 0.205 1.847 1.614 1.00 7.07 C HETATM 588 C4A HEM A 80 0.281 1.927 0.164 1.00 9.92 C HETATM 589 CMA HEM A 80 0.135 0.589 2.420 1.00 7.00 C HETATM 590 CAA HEM A 80 0.323 3.608 3.513 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.928 4.270 4.094 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.681 4.765 5.514 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.184 5.835 5.850 1.00 18.65 O HETATM 594 O2A HEM A 80 0.013 4.084 6.265 1.00 17.21 O HETATM 595 NB HEM A 80 0.303 2.156 -2.825 1.00 4.54 N HETATM 596 C1B HEM A 80 0.041 1.000 -2.113 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.349 -0.052 -3.023 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.093 0.398 -4.285 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.226 1.803 -4.161 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.855 -1.400 -2.592 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.053 -0.392 -5.580 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.350 -1.039 -6.073 1.00 6.48 C HETATM 603 NC HEM A 80 0.950 4.690 -3.917 1.00 3.58 N HETATM 604 C1C HEM A 80 0.785 4.013 -5.110 1.00 4.45 C HETATM 605 C2C HEM A 80 1.098 4.876 -6.224 1.00 5.77 C HETATM 606 C3C HEM A 80 1.530 6.052 -5.698 1.00 8.44 C HETATM 607 C4C HEM A 80 1.292 5.981 -4.269 1.00 11.13 C HETATM 608 CMC HEM A 80 1.036 4.458 -7.672 1.00 8.62 C HETATM 609 CAC HEM A 80 2.171 7.208 -6.431 1.00 3.39 C HETATM 610 CBC HEM A 80 1.298 8.463 -6.538 1.00 10.94 C HETATM 611 ND HEM A 80 0.802 5.828 -1.348 1.00 4.28 N HETATM 612 C1D HEM A 80 1.085 7.001 -2.016 1.00 5.02 C HETATM 613 C2D HEM A 80 1.095 8.113 -1.060 1.00 3.97 C HETATM 614 C3D HEM A 80 0.863 7.580 0.175 1.00 5.11 C HETATM 615 C4D HEM A 80 0.625 6.191 -0.035 1.00 9.05 C HETATM 616 CMD HEM A 80 1.383 9.550 -1.393 1.00 5.28 C HETATM 617 CAD HEM A 80 0.890 8.204 1.565 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.418 8.833 2.063 1.00 6.36 C HETATM 619 CGD HEM A 80 -1.184 9.598 0.992 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.759 10.697 0.663 1.00 8.25 O HETATM 621 O2D HEM A 80 -2.224 9.125 0.534 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -0.368 -0.186 1.842 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.422 0.776 3.338 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.144 0.260 2.669 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -1.545 -1.786 -3.342 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -1.372 -1.306 -1.637 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.015 -2.086 -2.484 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 1.253 3.393 -7.753 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 1.771 5.022 -8.245 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 0.039 4.656 -8.066 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 2.067 9.597 -2.240 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.838 10.039 -0.532 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.453 10.058 -1.649 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.355 -1.613 -7.000 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.269 -0.926 -5.497 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.676 9.348 -7.050 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 0.299 8.471 -6.102 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.753 3.558 4.093 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.227 5.106 3.462 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.144 4.321 3.586 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.580 2.760 4.148 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.193 9.509 2.888 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.059 8.046 2.462 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.664 8.972 1.578 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.191 7.436 2.277 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.082 5.784 1.949 1.00 5.52 H new HETATM 0 HHB HEM A 80 0.134 -0.131 -0.316 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.327 2.273 -6.224 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.718 7.999 -3.783 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.874 -0.496 -6.144 1.00 6.35 H new HETATM 0 HAC HEM A 80 3.175 7.153 -6.851 1.00 3.39 H new