USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 603 hydrogens (32 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 HECFE :(H bumps) USER MOD NoAdj-H: A 80 HEC HAC : A 80 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC HAB : A 80 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC H2D : A 80 HEC O2D : A 80 HEC CGD :(short bond) USER MOD NoAdj-H: A 80 HEC H2A : A 80 HEC O2A : A 80 HEC CGA :(short bond) USER MOD Set 1.1: A 41 MET CE :methyl 141:sc= -1.52 (180deg=-4.09!) USER MOD Set 1.2: A 76 MET CE :methyl -150:sc= -0.841 (180deg=-4.89!) USER MOD Set 2.1: A 59 ASN : amide:sc= -0.661! X(o=-0.66!,f=-0.18) USER MOD Set 2.2: A 63 LYS NZ :NH3+ 156:sc= 0 (180deg=0) USER MOD Set 3.1: A 44 TYR OH : rot 60:sc= -0.0329 USER MOD Set 3.2: A 57 MET CE :methyl 178:sc= -0.789 (180deg=-0.801) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 161:sc= 0.626 (180deg=0.103) USER MOD Set 4.2: A 40 LYS NZ :NH3+ -143:sc= 1.44 (180deg=-0.0026) USER MOD Set 4.3: A 49 TYR OH : rot 149:sc= 1.56 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.19 (180deg=0) USER MOD Single : A 7 TYR OH : rot -173:sc= 1.22 USER MOD Single : A 8 LYS NZ :NH3+ 169:sc=-0.00921 (180deg=-0.153) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 55:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 0.823 (180deg=0.439) USER MOD Single : A 23 MET CE :methyl -172:sc= -0.0619 (180deg=-0.312) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0.894 (180deg=0.793) USER MOD Single : A 32 GLN : amide:sc= 2.32 K(o=2.3,f=-0.12) USER MOD Single : A 38 TYR OH : rot 25:sc= 1.28 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= -0.273 (180deg=-0.319) USER MOD Single : A 48 SER OG : rot 180:sc= 0.325 USER MOD Single : A 54 LYS NZ :NH3+ -170:sc= 0.174 (180deg=0.126) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -63:sc= 1.04 USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 1.08 (180deg=0.874) USER MOD Single : A 65 SER OG : rot 22:sc= 0.99 USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= -0.0854 (180deg=-0.918) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 67:sc= 1.11 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -0.013 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.359 -12.764 -9.377 1.00 0.00 N ATOM 2 CA ALA A 1 2.616 -13.416 -8.284 1.00 0.00 C ATOM 3 C ALA A 1 1.985 -12.344 -7.398 1.00 0.00 C ATOM 4 O ALA A 1 2.360 -11.178 -7.537 1.00 0.00 O ATOM 5 CB ALA A 1 3.539 -14.319 -7.459 1.00 0.00 C ATOM 0 H1 ALA A 1 2.912 -12.995 -10.287 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.348 -11.733 -9.238 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.342 -13.103 -9.379 1.00 0.00 H new ATOM 0 HA ALA A 1 1.833 -14.043 -8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.968 -14.789 -6.658 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.964 -15.090 -8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.343 -13.722 -7.029 1.00 0.00 H new ATOM 13 N ASP A 2 1.045 -12.732 -6.530 1.00 0.00 N ATOM 14 CA ASP A 2 0.366 -11.838 -5.598 1.00 0.00 C ATOM 15 C ASP A 2 1.387 -11.033 -4.790 1.00 0.00 C ATOM 16 O ASP A 2 2.516 -11.479 -4.587 1.00 0.00 O ATOM 17 CB ASP A 2 -0.532 -12.648 -4.652 1.00 0.00 C ATOM 18 CG ASP A 2 -1.632 -13.405 -5.387 1.00 0.00 C ATOM 19 OD1 ASP A 2 -1.265 -14.340 -6.132 1.00 0.00 O ATOM 20 OD2 ASP A 2 -2.809 -13.032 -5.195 1.00 0.00 O ATOM 0 H ASP A 2 0.731 -13.700 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.252 -11.144 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.081 -13.357 -4.095 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.984 -11.976 -3.923 1.00 0.00 H new ATOM 25 N GLY A 3 0.997 -9.840 -4.339 1.00 0.00 N ATOM 26 CA GLY A 3 1.861 -8.947 -3.588 1.00 0.00 C ATOM 27 C GLY A 3 2.835 -8.253 -4.530 1.00 0.00 C ATOM 28 O GLY A 3 2.718 -7.063 -4.814 1.00 0.00 O ATOM 0 H GLY A 3 0.059 -9.468 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.261 -8.205 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.410 -9.509 -2.832 1.00 0.00 H new ATOM 32 N ALA A 4 3.766 -9.046 -5.051 1.00 0.00 N ATOM 33 CA ALA A 4 4.845 -8.609 -5.921 1.00 0.00 C ATOM 34 C ALA A 4 4.317 -7.892 -7.161 1.00 0.00 C ATOM 35 O ALA A 4 4.716 -6.764 -7.440 1.00 0.00 O ATOM 36 CB ALA A 4 5.712 -9.813 -6.301 1.00 0.00 C ATOM 0 H ALA A 4 3.788 -10.050 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 4 5.456 -7.886 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.522 -9.487 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.130 -10.259 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.102 -10.551 -6.821 1.00 0.00 H new ATOM 42 N ALA A 5 3.423 -8.548 -7.909 1.00 0.00 N ATOM 43 CA ALA A 5 2.865 -7.985 -9.132 1.00 0.00 C ATOM 44 C ALA A 5 2.234 -6.618 -8.872 1.00 0.00 C ATOM 45 O ALA A 5 2.480 -5.666 -9.605 1.00 0.00 O ATOM 46 CB ALA A 5 1.838 -8.951 -9.730 1.00 0.00 C ATOM 0 H ALA A 5 3.071 -9.478 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 5 3.675 -7.844 -9.847 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.425 -8.523 -10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.322 -9.900 -9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.035 -9.118 -9.012 1.00 0.00 H new ATOM 52 N LEU A 6 1.426 -6.528 -7.815 1.00 0.00 N ATOM 53 CA LEU A 6 0.744 -5.296 -7.461 1.00 0.00 C ATOM 54 C LEU A 6 1.754 -4.229 -7.046 1.00 0.00 C ATOM 55 O LEU A 6 1.637 -3.079 -7.467 1.00 0.00 O ATOM 56 CB LEU A 6 -0.281 -5.547 -6.350 1.00 0.00 C ATOM 57 CG LEU A 6 -1.351 -6.577 -6.757 1.00 0.00 C ATOM 58 CD1 LEU A 6 -1.094 -7.922 -6.064 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.748 -6.065 -6.392 1.00 0.00 C ATOM 0 H LEU A 6 1.230 -7.307 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 6 0.207 -4.932 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.235 -5.898 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.767 -4.607 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.295 -6.720 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.860 -8.638 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.113 -8.298 -6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.127 -7.786 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.494 -6.803 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.805 -5.899 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.940 -5.128 -6.914 1.00 0.00 H new ATOM 71 N TYR A 7 2.756 -4.604 -6.240 1.00 0.00 N ATOM 72 CA TYR A 7 3.751 -3.661 -5.747 1.00 0.00 C ATOM 73 C TYR A 7 4.420 -2.872 -6.877 1.00 0.00 C ATOM 74 O TYR A 7 4.788 -1.713 -6.682 1.00 0.00 O ATOM 75 CB TYR A 7 4.770 -4.341 -4.823 1.00 0.00 C ATOM 76 CG TYR A 7 5.673 -3.364 -4.083 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.114 -2.289 -3.365 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.072 -3.490 -4.153 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.940 -1.327 -2.761 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.901 -2.537 -3.530 1.00 0.00 C ATOM 81 CZ TYR A 7 7.333 -1.442 -2.856 1.00 0.00 C ATOM 82 OH TYR A 7 8.125 -0.471 -2.322 1.00 0.00 O ATOM 0 H TYR A 7 2.894 -5.562 -5.918 1.00 0.00 H new ATOM 0 HA TYR A 7 3.218 -2.927 -5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.236 -4.951 -4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.388 -5.017 -5.414 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.041 -2.204 -3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.512 -4.320 -4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.502 -0.499 -2.224 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.975 -2.648 -3.570 1.00 0.00 H new ATOM 0 HH TYR A 7 9.059 -0.640 -2.566 1.00 0.00 H new ATOM 92 N LYS A 8 4.553 -3.465 -8.069 1.00 0.00 N ATOM 93 CA LYS A 8 5.112 -2.771 -9.224 1.00 0.00 C ATOM 94 C LYS A 8 4.384 -1.445 -9.488 1.00 0.00 C ATOM 95 O LYS A 8 5.014 -0.470 -9.888 1.00 0.00 O ATOM 96 CB LYS A 8 5.081 -3.663 -10.474 1.00 0.00 C ATOM 97 CG LYS A 8 5.708 -5.054 -10.293 1.00 0.00 C ATOM 98 CD LYS A 8 7.124 -5.010 -9.701 1.00 0.00 C ATOM 99 CE LYS A 8 7.728 -6.414 -9.568 1.00 0.00 C ATOM 100 NZ LYS A 8 7.927 -7.061 -10.877 1.00 0.00 N ATOM 0 H LYS A 8 4.278 -4.430 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 8 6.153 -2.542 -8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.045 -3.786 -10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.601 -3.149 -11.282 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.068 -5.651 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.741 -5.558 -11.259 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.765 -4.397 -10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.094 -4.533 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.684 -6.349 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.073 -7.033 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.502 -7.919 -10.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.004 -7.317 -11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.416 -6.404 -11.518 1.00 0.00 H new ATOM 114 N SER A 9 3.072 -1.387 -9.235 1.00 0.00 N ATOM 115 CA SER A 9 2.264 -0.188 -9.431 1.00 0.00 C ATOM 116 C SER A 9 2.356 0.797 -8.255 1.00 0.00 C ATOM 117 O SER A 9 1.612 1.775 -8.226 1.00 0.00 O ATOM 118 CB SER A 9 0.809 -0.616 -9.647 1.00 0.00 C ATOM 119 OG SER A 9 0.744 -1.641 -10.622 1.00 0.00 O ATOM 0 H SER A 9 2.539 -2.183 -8.884 1.00 0.00 H new ATOM 0 HA SER A 9 2.650 0.341 -10.302 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.382 -0.969 -8.708 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.214 0.239 -9.967 1.00 0.00 H new ATOM 0 HG SER A 9 -0.189 -1.910 -10.752 1.00 0.00 H new ATOM 125 N CYS A 10 3.228 0.531 -7.279 1.00 0.00 N ATOM 126 CA CYS A 10 3.427 1.323 -6.067 1.00 0.00 C ATOM 127 C CYS A 10 4.880 1.807 -6.015 1.00 0.00 C ATOM 128 O CYS A 10 5.166 2.926 -5.572 1.00 0.00 O ATOM 129 CB CYS A 10 3.082 0.470 -4.841 1.00 0.00 C ATOM 130 SG CYS A 10 1.708 -0.715 -5.008 1.00 0.00 S ATOM 0 H CYS A 10 3.843 -0.282 -7.316 1.00 0.00 H new ATOM 0 HA CYS A 10 2.773 2.195 -6.072 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.975 -0.086 -4.555 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.848 1.143 -4.016 1.00 0.00 H new ATOM 135 N ILE A 11 5.800 0.940 -6.462 1.00 0.00 N ATOM 136 CA ILE A 11 7.210 1.258 -6.649 1.00 0.00 C ATOM 137 C ILE A 11 7.304 2.581 -7.406 1.00 0.00 C ATOM 138 O ILE A 11 6.413 2.949 -8.171 1.00 0.00 O ATOM 139 CB ILE A 11 7.897 0.115 -7.428 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.151 -1.059 -6.467 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.209 0.514 -8.128 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.799 -2.274 -7.138 1.00 0.00 C ATOM 0 H ILE A 11 5.572 -0.023 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 11 7.717 1.359 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 11 7.216 -0.166 -8.231 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.792 -0.719 -5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.204 -1.363 -6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.621 -0.350 -8.649 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.011 1.310 -8.845 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.926 0.865 -7.385 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.948 -3.061 -6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.149 -2.640 -7.933 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.762 -1.986 -7.560 1.00 0.00 H new ATOM 154 N GLY A 12 8.382 3.323 -7.174 1.00 0.00 N ATOM 155 CA GLY A 12 8.556 4.609 -7.814 1.00 0.00 C ATOM 156 C GLY A 12 7.937 5.696 -6.947 1.00 0.00 C ATOM 157 O GLY A 12 8.642 6.653 -6.631 1.00 0.00 O ATOM 0 H GLY A 12 9.142 3.052 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.616 4.811 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.088 4.604 -8.798 1.00 0.00 H new ATOM 161 N CYS A 13 6.669 5.566 -6.513 1.00 0.00 N ATOM 162 CA CYS A 13 6.136 6.613 -5.643 1.00 0.00 C ATOM 163 C CYS A 13 6.733 6.395 -4.264 1.00 0.00 C ATOM 164 O CYS A 13 7.253 7.314 -3.644 1.00 0.00 O ATOM 165 CB CYS A 13 4.614 6.641 -5.563 1.00 0.00 C ATOM 166 SG CYS A 13 4.122 8.071 -4.581 1.00 0.00 S ATOM 0 H CYS A 13 6.036 4.798 -6.735 1.00 0.00 H new ATOM 0 HA CYS A 13 6.413 7.580 -6.063 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.183 6.701 -6.562 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.241 5.723 -5.109 1.00 0.00 H new ATOM 171 N HIS A 14 6.690 5.137 -3.827 1.00 0.00 N ATOM 172 CA HIS A 14 7.262 4.661 -2.583 1.00 0.00 C ATOM 173 C HIS A 14 8.783 4.515 -2.670 1.00 0.00 C ATOM 174 O HIS A 14 9.482 4.507 -1.653 1.00 0.00 O ATOM 175 CB HIS A 14 6.593 3.321 -2.317 1.00 0.00 C ATOM 176 CG HIS A 14 5.239 3.539 -1.717 1.00 0.00 C ATOM 177 ND1 HIS A 14 5.106 3.993 -0.419 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.982 3.616 -2.263 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.814 4.280 -0.235 1.00 0.00 C ATOM 180 NE2 HIS A 14 3.049 3.932 -1.267 1.00 0.00 N ATOM 0 H HIS A 14 6.234 4.395 -4.358 1.00 0.00 H new ATOM 0 HA HIS A 14 7.088 5.370 -1.773 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.502 2.759 -3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.208 2.725 -1.643 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.853 4.091 0.269 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.747 3.457 -3.305 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.430 4.747 0.660 1.00 0.00 H new ATOM 188 N GLY A 15 9.281 4.392 -3.899 1.00 0.00 N ATOM 189 CA GLY A 15 10.683 4.223 -4.218 1.00 0.00 C ATOM 190 C GLY A 15 10.898 2.742 -4.471 1.00 0.00 C ATOM 191 O GLY A 15 10.155 2.160 -5.260 1.00 0.00 O ATOM 0 H GLY A 15 8.688 4.409 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.953 4.809 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.311 4.571 -3.398 1.00 0.00 H new ATOM 195 N ALA A 16 11.885 2.145 -3.800 1.00 0.00 N ATOM 196 CA ALA A 16 12.180 0.723 -3.886 1.00 0.00 C ATOM 197 C ALA A 16 11.847 0.086 -2.540 1.00 0.00 C ATOM 198 O ALA A 16 10.843 -0.611 -2.404 1.00 0.00 O ATOM 199 CB ALA A 16 13.647 0.519 -4.282 1.00 0.00 C ATOM 0 H ALA A 16 12.510 2.650 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 16 11.576 0.242 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.862 -0.548 -4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.830 0.984 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.293 0.976 -3.532 1.00 0.00 H new ATOM 205 N ASP A 17 12.643 0.388 -1.513 1.00 0.00 N ATOM 206 CA ASP A 17 12.499 -0.137 -0.161 1.00 0.00 C ATOM 207 C ASP A 17 11.494 0.689 0.643 1.00 0.00 C ATOM 208 O ASP A 17 11.785 1.138 1.745 1.00 0.00 O ATOM 209 CB ASP A 17 13.871 -0.194 0.521 1.00 0.00 C ATOM 210 CG ASP A 17 14.498 1.179 0.776 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.309 2.065 -0.089 1.00 0.00 O ATOM 212 OD2 ASP A 17 15.173 1.312 1.819 1.00 0.00 O ATOM 0 H ASP A 17 13.432 1.027 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 17 12.104 -1.151 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.771 -0.718 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.549 -0.782 -0.098 1.00 0.00 H new ATOM 217 N GLY A 18 10.323 0.909 0.046 1.00 0.00 N ATOM 218 CA GLY A 18 9.167 1.636 0.568 1.00 0.00 C ATOM 219 C GLY A 18 9.465 2.752 1.575 1.00 0.00 C ATOM 220 O GLY A 18 8.787 2.844 2.600 1.00 0.00 O ATOM 0 H GLY A 18 10.144 0.554 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.627 2.070 -0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.497 0.918 1.041 1.00 0.00 H new ATOM 224 N SER A 19 10.428 3.627 1.266 1.00 0.00 N ATOM 225 CA SER A 19 10.879 4.679 2.174 1.00 0.00 C ATOM 226 C SER A 19 10.442 6.090 1.777 1.00 0.00 C ATOM 227 O SER A 19 10.487 6.980 2.623 1.00 0.00 O ATOM 228 CB SER A 19 12.403 4.616 2.310 1.00 0.00 C ATOM 229 OG SER A 19 12.781 3.414 2.946 1.00 0.00 O ATOM 0 H SER A 19 10.918 3.622 0.371 1.00 0.00 H new ATOM 0 HA SER A 19 10.395 4.484 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.867 4.678 1.326 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.761 5.470 2.885 1.00 0.00 H new ATOM 0 HG SER A 19 12.404 2.653 2.457 1.00 0.00 H new ATOM 235 N LYS A 20 10.051 6.342 0.522 1.00 0.00 N ATOM 236 CA LYS A 20 9.660 7.696 0.149 1.00 0.00 C ATOM 237 C LYS A 20 8.401 8.127 0.900 1.00 0.00 C ATOM 238 O LYS A 20 7.339 7.533 0.718 1.00 0.00 O ATOM 239 CB LYS A 20 9.394 7.809 -1.356 1.00 0.00 C ATOM 240 CG LYS A 20 10.671 7.782 -2.198 1.00 0.00 C ATOM 241 CD LYS A 20 10.308 7.890 -3.684 1.00 0.00 C ATOM 242 CE LYS A 20 11.546 7.920 -4.582 1.00 0.00 C ATOM 243 NZ LYS A 20 11.154 8.037 -5.998 1.00 0.00 N ATOM 0 H LYS A 20 9.999 5.650 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 20 10.491 8.349 0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.745 6.990 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.855 8.736 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.325 8.606 -1.912 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.221 6.859 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.679 7.046 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.721 8.794 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.184 8.759 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.132 7.013 -4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.898 7.628 -6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.262 7.525 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.025 9.040 -6.241 1.00 0.00 H new ATOM 257 N ALA A 21 8.485 9.220 1.663 1.00 0.00 N ATOM 258 CA ALA A 21 7.346 9.821 2.354 1.00 0.00 C ATOM 259 C ALA A 21 6.534 10.677 1.364 1.00 0.00 C ATOM 260 O ALA A 21 6.074 11.763 1.710 1.00 0.00 O ATOM 261 CB ALA A 21 7.891 10.665 3.514 1.00 0.00 C ATOM 0 H ALA A 21 9.361 9.719 1.819 1.00 0.00 H new ATOM 0 HA ALA A 21 6.678 9.056 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.061 11.127 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.452 10.026 4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.547 11.442 3.122 1.00 0.00 H new ATOM 267 N ALA A 22 6.354 10.139 0.152 1.00 0.00 N ATOM 268 CA ALA A 22 5.814 10.703 -1.078 1.00 0.00 C ATOM 269 C ALA A 22 4.806 11.851 -0.969 1.00 0.00 C ATOM 270 O ALA A 22 5.168 12.972 -0.614 1.00 0.00 O ATOM 271 CB ALA A 22 5.355 9.539 -1.960 1.00 0.00 C ATOM 0 H ALA A 22 6.622 9.167 -0.002 1.00 0.00 H new ATOM 0 HA ALA A 22 6.628 11.255 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.944 9.928 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.204 8.892 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.589 8.966 -1.437 1.00 0.00 H new ATOM 277 N MET A 23 3.563 11.616 -1.395 1.00 0.00 N ATOM 278 CA MET A 23 2.553 12.666 -1.431 1.00 0.00 C ATOM 279 C MET A 23 2.245 13.242 -0.042 1.00 0.00 C ATOM 280 O MET A 23 1.375 12.746 0.668 1.00 0.00 O ATOM 281 CB MET A 23 1.278 12.191 -2.143 1.00 0.00 C ATOM 282 CG MET A 23 1.502 11.935 -3.637 1.00 0.00 C ATOM 283 SD MET A 23 0.015 11.532 -4.598 1.00 0.00 S ATOM 284 CE MET A 23 -0.717 10.196 -3.622 1.00 0.00 C ATOM 0 H MET A 23 3.235 10.706 -1.719 1.00 0.00 H new ATOM 0 HA MET A 23 2.976 13.485 -2.014 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.921 11.276 -1.670 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.496 12.940 -2.019 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.965 12.820 -4.073 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.214 11.117 -3.744 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.553 9.762 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.034 9.428 -3.436 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.073 10.593 -2.671 1.00 0.00 H new ATOM 294 N GLY A 24 2.957 14.309 0.324 1.00 0.00 N ATOM 295 CA GLY A 24 2.711 15.104 1.516 1.00 0.00 C ATOM 296 C GLY A 24 3.083 14.421 2.829 1.00 0.00 C ATOM 297 O GLY A 24 2.233 14.268 3.706 1.00 0.00 O ATOM 0 H GLY A 24 3.747 14.651 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.271 16.036 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.654 15.369 1.547 1.00 0.00 H new ATOM 301 N SER A 25 4.358 14.049 2.973 1.00 0.00 N ATOM 302 CA SER A 25 4.919 13.512 4.207 1.00 0.00 C ATOM 303 C SER A 25 4.216 12.240 4.680 1.00 0.00 C ATOM 304 O SER A 25 3.757 12.150 5.817 1.00 0.00 O ATOM 305 CB SER A 25 4.923 14.592 5.294 1.00 0.00 C ATOM 306 OG SER A 25 5.543 15.770 4.809 1.00 0.00 O ATOM 0 H SER A 25 5.040 14.116 2.217 1.00 0.00 H new ATOM 0 HA SER A 25 5.947 13.218 3.996 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.901 14.811 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.452 14.230 6.175 1.00 0.00 H new ATOM 0 HG SER A 25 5.539 16.454 5.510 1.00 0.00 H new ATOM 312 N ALA A 26 4.169 11.245 3.800 1.00 0.00 N ATOM 313 CA ALA A 26 3.580 9.947 4.094 1.00 0.00 C ATOM 314 C ALA A 26 4.450 9.172 5.087 1.00 0.00 C ATOM 315 O ALA A 26 5.673 9.297 5.043 1.00 0.00 O ATOM 316 CB ALA A 26 3.478 9.162 2.786 1.00 0.00 C ATOM 0 H ALA A 26 4.543 11.320 2.854 1.00 0.00 H new ATOM 0 HA ALA A 26 2.595 10.086 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.039 8.184 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.850 9.708 2.082 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.473 9.034 2.360 1.00 0.00 H new ATOM 322 N LYS A 27 3.864 8.361 5.977 1.00 0.00 N ATOM 323 CA LYS A 27 4.706 7.513 6.821 1.00 0.00 C ATOM 324 C LYS A 27 5.446 6.536 5.896 1.00 0.00 C ATOM 325 O LYS A 27 4.862 6.093 4.904 1.00 0.00 O ATOM 326 CB LYS A 27 3.921 6.698 7.865 1.00 0.00 C ATOM 327 CG LYS A 27 2.658 7.363 8.412 1.00 0.00 C ATOM 328 CD LYS A 27 2.089 6.540 9.575 1.00 0.00 C ATOM 329 CE LYS A 27 0.716 7.059 10.021 1.00 0.00 C ATOM 330 NZ LYS A 27 -0.304 6.904 8.967 1.00 0.00 N ATOM 0 H LYS A 27 2.859 8.276 6.127 1.00 0.00 H new ATOM 0 HA LYS A 27 5.378 8.165 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.643 5.743 7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.585 6.478 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.887 8.374 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.913 7.452 7.621 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.003 5.496 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.781 6.573 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.398 6.521 10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.798 8.111 10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.252 6.956 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.197 7.664 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.184 5.982 8.500 1.00 0.00 H new ATOM 344 N PRO A 28 6.709 6.183 6.173 1.00 0.00 N ATOM 345 CA PRO A 28 7.408 5.213 5.353 1.00 0.00 C ATOM 346 C PRO A 28 6.705 3.863 5.500 1.00 0.00 C ATOM 347 O PRO A 28 6.163 3.543 6.558 1.00 0.00 O ATOM 348 CB PRO A 28 8.850 5.200 5.865 1.00 0.00 C ATOM 349 CG PRO A 28 8.700 5.625 7.328 1.00 0.00 C ATOM 350 CD PRO A 28 7.528 6.609 7.293 1.00 0.00 C ATOM 0 HA PRO A 28 7.408 5.450 4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.301 4.212 5.776 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.483 5.890 5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.490 4.773 7.974 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.608 6.095 7.705 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.964 6.584 8.226 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.877 7.633 7.159 1.00 0.00 H new ATOM 358 N VAL A 29 6.694 3.079 4.424 1.00 0.00 N ATOM 359 CA VAL A 29 5.977 1.815 4.360 1.00 0.00 C ATOM 360 C VAL A 29 6.888 0.652 4.739 1.00 0.00 C ATOM 361 O VAL A 29 6.409 -0.356 5.259 1.00 0.00 O ATOM 362 CB VAL A 29 5.362 1.670 2.962 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.366 0.513 2.905 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.592 2.947 2.623 1.00 0.00 C ATOM 0 H VAL A 29 7.190 3.310 3.563 1.00 0.00 H new ATOM 0 HA VAL A 29 5.166 1.801 5.088 1.00 0.00 H new ATOM 0 HB VAL A 29 6.175 1.485 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.950 0.440 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.875 -0.418 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.561 0.690 3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.151 2.853 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.802 3.101 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.273 3.798 2.638 1.00 0.00 H new ATOM 374 N LYS A 30 8.191 0.809 4.472 1.00 0.00 N ATOM 375 CA LYS A 30 9.249 -0.147 4.755 1.00 0.00 C ATOM 376 C LYS A 30 8.999 -0.884 6.073 1.00 0.00 C ATOM 377 O LYS A 30 9.259 -0.358 7.153 1.00 0.00 O ATOM 378 CB LYS A 30 10.593 0.591 4.793 1.00 0.00 C ATOM 379 CG LYS A 30 11.760 -0.399 4.722 1.00 0.00 C ATOM 380 CD LYS A 30 13.102 0.299 4.970 1.00 0.00 C ATOM 381 CE LYS A 30 14.276 -0.658 4.722 1.00 0.00 C ATOM 382 NZ LYS A 30 14.142 -1.921 5.471 1.00 0.00 N ATOM 0 H LYS A 30 8.546 1.656 4.028 1.00 0.00 H new ATOM 0 HA LYS A 30 9.266 -0.898 3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.652 1.290 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.664 1.179 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.616 -1.187 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.773 -0.879 3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.191 1.166 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.140 0.668 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.344 -0.877 3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.207 -0.167 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.005 -2.489 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.002 -1.713 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.324 -2.453 5.111 1.00 0.00 H new ATOM 396 N GLY A 31 8.468 -2.099 5.972 1.00 0.00 N ATOM 397 CA GLY A 31 8.194 -2.959 7.099 1.00 0.00 C ATOM 398 C GLY A 31 7.383 -2.335 8.244 1.00 0.00 C ATOM 399 O GLY A 31 7.775 -2.528 9.392 1.00 0.00 O ATOM 0 H GLY A 31 8.213 -2.516 5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.658 -3.837 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.144 -3.309 7.503 1.00 0.00 H new ATOM 403 N GLN A 32 6.259 -1.630 7.993 1.00 0.00 N ATOM 404 CA GLN A 32 5.429 -1.137 9.116 1.00 0.00 C ATOM 405 C GLN A 32 5.084 -2.315 10.035 1.00 0.00 C ATOM 406 O GLN A 32 5.256 -2.297 11.251 1.00 0.00 O ATOM 407 CB GLN A 32 4.134 -0.417 8.676 1.00 0.00 C ATOM 408 CG GLN A 32 4.333 0.547 7.505 1.00 0.00 C ATOM 409 CD GLN A 32 3.181 1.549 7.322 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.022 1.192 7.507 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.476 2.788 6.920 1.00 0.00 N ATOM 0 H GLN A 32 5.914 -1.396 7.062 1.00 0.00 H new ATOM 0 HA GLN A 32 6.022 -0.387 9.640 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.390 -1.164 8.398 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.730 0.135 9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.261 1.098 7.655 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.449 -0.030 6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.448 3.059 6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.729 3.464 6.759 1.00 0.00 H new ATOM 420 N GLY A 33 4.590 -3.344 9.363 1.00 0.00 N ATOM 421 CA GLY A 33 4.261 -4.679 9.851 1.00 0.00 C ATOM 422 C GLY A 33 3.171 -5.270 8.986 1.00 0.00 C ATOM 423 O GLY A 33 2.394 -4.530 8.401 1.00 0.00 O ATOM 0 H GLY A 33 4.390 -3.259 8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.145 -5.316 9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.931 -4.629 10.889 1.00 0.00 H new ATOM 427 N ALA A 34 3.075 -6.592 8.919 1.00 0.00 N ATOM 428 CA ALA A 34 2.086 -7.241 8.078 1.00 0.00 C ATOM 429 C ALA A 34 0.664 -6.903 8.506 1.00 0.00 C ATOM 430 O ALA A 34 -0.178 -6.628 7.658 1.00 0.00 O ATOM 431 CB ALA A 34 2.338 -8.741 8.082 1.00 0.00 C ATOM 0 H ALA A 34 3.673 -7.234 9.439 1.00 0.00 H new ATOM 0 HA ALA A 34 2.188 -6.867 7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.599 -9.236 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.337 -8.943 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.259 -9.121 9.101 1.00 0.00 H new ATOM 437 N GLU A 35 0.395 -6.911 9.814 1.00 0.00 N ATOM 438 CA GLU A 35 -0.924 -6.585 10.335 1.00 0.00 C ATOM 439 C GLU A 35 -1.261 -5.138 9.974 1.00 0.00 C ATOM 440 O GLU A 35 -2.304 -4.868 9.382 1.00 0.00 O ATOM 441 CB GLU A 35 -0.960 -6.830 11.850 1.00 0.00 C ATOM 442 CG GLU A 35 -2.364 -6.585 12.424 1.00 0.00 C ATOM 443 CD GLU A 35 -2.436 -6.938 13.907 1.00 0.00 C ATOM 444 OE1 GLU A 35 -1.580 -6.420 14.656 1.00 0.00 O ATOM 445 OE2 GLU A 35 -3.344 -7.720 14.262 1.00 0.00 O ATOM 0 H GLU A 35 1.082 -7.142 10.532 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.681 -7.228 9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.652 -7.854 12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.244 -6.173 12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.637 -5.539 12.285 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.092 -7.180 11.872 1.00 0.00 H new ATOM 452 N GLU A 36 -0.356 -4.218 10.327 1.00 0.00 N ATOM 453 CA GLU A 36 -0.446 -2.811 10.070 1.00 0.00 C ATOM 454 C GLU A 36 -0.759 -2.595 8.593 1.00 0.00 C ATOM 455 O GLU A 36 -1.805 -2.061 8.237 1.00 0.00 O ATOM 456 CB GLU A 36 0.935 -2.256 10.440 1.00 0.00 C ATOM 457 CG GLU A 36 1.219 -2.217 11.945 1.00 0.00 C ATOM 458 CD GLU A 36 0.300 -1.240 12.671 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.465 -0.024 12.434 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.559 -1.728 13.437 1.00 0.00 O ATOM 0 H GLU A 36 0.498 -4.468 10.826 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.233 -2.315 10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.699 -2.863 9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.027 -1.247 10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.092 -3.215 12.365 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.258 -1.931 12.111 1.00 0.00 H new ATOM 467 N LEU A 37 0.154 -3.054 7.741 1.00 0.00 N ATOM 468 CA LEU A 37 0.047 -2.950 6.303 1.00 0.00 C ATOM 469 C LEU A 37 -1.298 -3.517 5.858 1.00 0.00 C ATOM 470 O LEU A 37 -2.096 -2.772 5.307 1.00 0.00 O ATOM 471 CB LEU A 37 1.233 -3.680 5.656 1.00 0.00 C ATOM 472 CG LEU A 37 2.572 -2.940 5.808 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.733 -3.900 5.540 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.672 -1.775 4.824 1.00 0.00 C ATOM 0 H LEU A 37 1.008 -3.519 8.048 1.00 0.00 H new ATOM 0 HA LEU A 37 0.087 -1.909 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.324 -4.672 6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.025 -3.823 4.596 1.00 0.00 H new ATOM 0 HG LEU A 37 2.624 -2.556 6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.678 -3.368 5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.696 -4.724 6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.654 -4.293 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.629 -1.270 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.597 -2.153 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.862 -1.070 5.011 1.00 0.00 H new ATOM 486 N TYR A 38 -1.575 -4.802 6.099 1.00 0.00 N ATOM 487 CA TYR A 38 -2.827 -5.439 5.707 1.00 0.00 C ATOM 488 C TYR A 38 -4.031 -4.559 6.022 1.00 0.00 C ATOM 489 O TYR A 38 -4.841 -4.291 5.139 1.00 0.00 O ATOM 490 CB TYR A 38 -2.975 -6.825 6.341 1.00 0.00 C ATOM 491 CG TYR A 38 -4.289 -7.497 5.984 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.548 -7.862 4.649 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.307 -7.616 6.949 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.796 -8.401 4.292 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.558 -8.147 6.589 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.795 -8.558 5.267 1.00 0.00 C ATOM 497 OH TYR A 38 -7.995 -9.116 4.943 1.00 0.00 O ATOM 0 H TYR A 38 -0.929 -5.431 6.576 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.793 -5.572 4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.149 -7.458 6.017 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.901 -6.734 7.425 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.785 -7.727 3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.127 -7.299 7.966 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.987 -8.694 3.270 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.338 -8.239 7.330 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.886 -9.696 4.161 1.00 0.00 H new ATOM 507 N LYS A 39 -4.139 -4.100 7.267 1.00 0.00 N ATOM 508 CA LYS A 39 -5.229 -3.225 7.669 1.00 0.00 C ATOM 509 C LYS A 39 -5.248 -1.953 6.816 1.00 0.00 C ATOM 510 O LYS A 39 -6.305 -1.556 6.335 1.00 0.00 O ATOM 511 CB LYS A 39 -5.122 -2.894 9.162 1.00 0.00 C ATOM 512 CG LYS A 39 -5.377 -4.104 10.074 1.00 0.00 C ATOM 513 CD LYS A 39 -6.844 -4.551 10.080 1.00 0.00 C ATOM 514 CE LYS A 39 -7.041 -5.680 11.099 1.00 0.00 C ATOM 515 NZ LYS A 39 -8.438 -6.146 11.122 1.00 0.00 N ATOM 0 H LYS A 39 -3.481 -4.322 8.014 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.173 -3.745 7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.129 -2.496 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.837 -2.108 9.405 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.751 -4.935 9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.074 -3.856 11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.489 -3.708 10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.134 -4.892 9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.382 -6.513 10.853 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.756 -5.330 12.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.538 -6.909 11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.063 -5.356 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.701 -6.502 10.181 1.00 0.00 H new ATOM 529 N LYS A 40 -4.093 -1.316 6.623 1.00 0.00 N ATOM 530 CA LYS A 40 -3.965 -0.112 5.817 1.00 0.00 C ATOM 531 C LYS A 40 -4.373 -0.365 4.354 1.00 0.00 C ATOM 532 O LYS A 40 -5.272 0.316 3.867 1.00 0.00 O ATOM 533 CB LYS A 40 -2.541 0.438 5.951 1.00 0.00 C ATOM 534 CG LYS A 40 -2.171 0.854 7.385 1.00 0.00 C ATOM 535 CD LYS A 40 -2.711 2.226 7.783 1.00 0.00 C ATOM 536 CE LYS A 40 -2.097 2.631 9.130 1.00 0.00 C ATOM 537 NZ LYS A 40 -2.488 3.997 9.515 1.00 0.00 N ATOM 0 H LYS A 40 -3.211 -1.629 7.029 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.655 0.646 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.835 -0.318 5.608 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.430 1.299 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.553 0.107 8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.086 0.857 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.465 2.964 7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.798 2.196 7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.416 1.930 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.011 2.566 9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.688 4.468 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.756 4.534 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.296 3.956 10.168 1.00 0.00 H new ATOM 551 N MET A 41 -3.755 -1.318 3.636 1.00 0.00 N ATOM 552 CA MET A 41 -4.141 -1.605 2.251 1.00 0.00 C ATOM 553 C MET A 41 -5.609 -2.029 2.162 1.00 0.00 C ATOM 554 O MET A 41 -6.308 -1.605 1.243 1.00 0.00 O ATOM 555 CB MET A 41 -3.192 -2.565 1.493 1.00 0.00 C ATOM 556 CG MET A 41 -2.367 -3.589 2.288 1.00 0.00 C ATOM 557 SD MET A 41 -0.725 -2.974 2.734 1.00 0.00 S ATOM 558 CE MET A 41 0.127 -2.980 1.148 1.00 0.00 C ATOM 0 H MET A 41 -2.993 -1.896 3.991 1.00 0.00 H new ATOM 0 HA MET A 41 -4.030 -0.661 1.717 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.793 -3.118 0.771 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.493 -1.953 0.923 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.908 -3.858 3.195 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.261 -4.499 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.761 -2.097 1.072 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.742 -3.876 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.606 -2.970 0.341 1.00 0.00 H new ATOM 568 N LYS A 42 -6.101 -2.840 3.104 1.00 0.00 N ATOM 569 CA LYS A 42 -7.506 -3.220 3.112 1.00 0.00 C ATOM 570 C LYS A 42 -8.358 -1.954 3.260 1.00 0.00 C ATOM 571 O LYS A 42 -9.316 -1.764 2.520 1.00 0.00 O ATOM 572 CB LYS A 42 -7.769 -4.233 4.233 1.00 0.00 C ATOM 573 CG LYS A 42 -9.177 -4.838 4.141 1.00 0.00 C ATOM 574 CD LYS A 42 -9.538 -5.618 5.414 1.00 0.00 C ATOM 575 CE LYS A 42 -10.328 -4.764 6.417 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.613 -3.536 6.809 1.00 0.00 N ATOM 0 H LYS A 42 -5.548 -3.240 3.862 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.777 -3.706 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.028 -5.030 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.647 -3.744 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.906 -4.044 3.981 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.234 -5.501 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.126 -6.496 5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.625 -5.979 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.290 -4.495 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.537 -5.357 7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.134 -3.059 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.659 -3.781 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.541 -2.900 5.989 1.00 0.00 H new ATOM 590 N GLY A 43 -7.996 -1.079 4.200 1.00 0.00 N ATOM 591 CA GLY A 43 -8.672 0.183 4.447 1.00 0.00 C ATOM 592 C GLY A 43 -8.717 1.041 3.182 1.00 0.00 C ATOM 593 O GLY A 43 -9.775 1.562 2.814 1.00 0.00 O ATOM 0 H GLY A 43 -7.204 -1.238 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.687 -0.007 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.157 0.726 5.240 1.00 0.00 H new ATOM 597 N TYR A 44 -7.567 1.181 2.514 1.00 0.00 N ATOM 598 CA TYR A 44 -7.465 1.901 1.254 1.00 0.00 C ATOM 599 C TYR A 44 -8.443 1.277 0.258 1.00 0.00 C ATOM 600 O TYR A 44 -9.275 1.992 -0.291 1.00 0.00 O ATOM 601 CB TYR A 44 -6.025 1.880 0.696 1.00 0.00 C ATOM 602 CG TYR A 44 -5.009 2.821 1.323 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.314 4.186 1.469 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.686 2.392 1.556 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.391 5.052 2.075 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.726 3.291 2.057 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.089 4.611 2.350 1.00 0.00 C ATOM 608 OH TYR A 44 -2.162 5.477 2.849 1.00 0.00 O ATOM 0 H TYR A 44 -6.681 0.794 2.839 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.719 2.948 1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.644 0.863 0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.075 2.103 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.260 4.568 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.408 1.369 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.684 6.060 2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.709 2.963 2.215 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.475 5.833 3.706 1.00 0.00 H new ATOM 618 N ALA A 45 -8.368 -0.042 0.045 1.00 0.00 N ATOM 619 CA ALA A 45 -9.230 -0.764 -0.888 1.00 0.00 C ATOM 620 C ALA A 45 -10.710 -0.540 -0.582 1.00 0.00 C ATOM 621 O ALA A 45 -11.497 -0.278 -1.487 1.00 0.00 O ATOM 622 CB ALA A 45 -8.885 -2.255 -0.873 1.00 0.00 C ATOM 0 H ALA A 45 -7.697 -0.643 0.524 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.049 -0.371 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.532 -2.785 -1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.845 -2.391 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.032 -2.652 0.131 1.00 0.00 H new ATOM 628 N ASP A 46 -11.091 -0.646 0.692 1.00 0.00 N ATOM 629 CA ASP A 46 -12.446 -0.414 1.153 1.00 0.00 C ATOM 630 C ASP A 46 -12.850 1.032 0.861 1.00 0.00 C ATOM 631 O ASP A 46 -14.004 1.307 0.542 1.00 0.00 O ATOM 632 CB ASP A 46 -12.509 -0.660 2.666 1.00 0.00 C ATOM 633 CG ASP A 46 -12.229 -2.096 3.103 1.00 0.00 C ATOM 634 OD1 ASP A 46 -12.438 -3.012 2.278 1.00 0.00 O ATOM 635 OD2 ASP A 46 -11.821 -2.251 4.275 1.00 0.00 O ATOM 0 H ASP A 46 -10.448 -0.901 1.441 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.127 -1.090 0.636 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.791 -0.002 3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.498 -0.375 3.024 1.00 0.00 H new ATOM 640 N GLY A 47 -11.894 1.954 0.994 1.00 0.00 N ATOM 641 CA GLY A 47 -12.103 3.380 0.827 1.00 0.00 C ATOM 642 C GLY A 47 -12.485 4.008 2.165 1.00 0.00 C ATOM 643 O GLY A 47 -13.129 5.053 2.194 1.00 0.00 O ATOM 0 H GLY A 47 -10.930 1.715 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.197 3.847 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.890 3.558 0.094 1.00 0.00 H new ATOM 647 N SER A 48 -12.093 3.369 3.273 1.00 0.00 N ATOM 648 CA SER A 48 -12.335 3.857 4.619 1.00 0.00 C ATOM 649 C SER A 48 -11.098 4.653 5.013 1.00 0.00 C ATOM 650 O SER A 48 -11.141 5.870 5.182 1.00 0.00 O ATOM 651 CB SER A 48 -12.570 2.654 5.537 1.00 0.00 C ATOM 652 OG SER A 48 -11.571 1.672 5.315 1.00 0.00 O ATOM 0 H SER A 48 -11.590 2.482 3.250 1.00 0.00 H new ATOM 0 HA SER A 48 -13.215 4.496 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.553 2.973 6.579 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.556 2.230 5.349 1.00 0.00 H new ATOM 0 HG SER A 48 -11.727 0.907 5.907 1.00 0.00 H new ATOM 658 N TYR A 49 -9.973 3.946 5.126 1.00 0.00 N ATOM 659 CA TYR A 49 -8.680 4.549 5.394 1.00 0.00 C ATOM 660 C TYR A 49 -8.205 5.219 4.104 1.00 0.00 C ATOM 661 O TYR A 49 -7.297 4.723 3.451 1.00 0.00 O ATOM 662 CB TYR A 49 -7.687 3.482 5.885 1.00 0.00 C ATOM 663 CG TYR A 49 -6.358 4.048 6.339 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.282 4.717 7.572 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.222 3.984 5.507 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.097 5.369 7.943 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.044 4.663 5.869 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.001 5.399 7.067 1.00 0.00 C ATOM 669 OH TYR A 49 -2.879 6.068 7.455 1.00 0.00 O ATOM 0 H TYR A 49 -9.940 2.931 5.032 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.753 5.297 6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.138 2.932 6.711 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.511 2.766 5.082 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.135 4.729 8.234 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.256 3.413 4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.028 5.850 8.907 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.175 4.619 5.229 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.090 5.639 7.063 1.00 0.00 H new ATOM 679 N GLY A 50 -8.829 6.327 3.705 1.00 0.00 N ATOM 680 CA GLY A 50 -8.461 7.030 2.490 1.00 0.00 C ATOM 681 C GLY A 50 -9.107 8.408 2.459 1.00 0.00 C ATOM 682 O GLY A 50 -9.955 8.721 3.293 1.00 0.00 O ATOM 0 H GLY A 50 -9.600 6.756 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.377 7.128 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.775 6.454 1.620 1.00 0.00 H new ATOM 686 N GLY A 51 -8.690 9.234 1.500 1.00 0.00 N ATOM 687 CA GLY A 51 -9.164 10.592 1.317 1.00 0.00 C ATOM 688 C GLY A 51 -8.157 11.345 0.452 1.00 0.00 C ATOM 689 O GLY A 51 -7.007 10.919 0.337 1.00 0.00 O ATOM 0 H GLY A 51 -7.990 8.961 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.145 10.590 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.279 11.086 2.282 1.00 0.00 H new ATOM 693 N GLU A 52 -8.597 12.457 -0.145 1.00 0.00 N ATOM 694 CA GLU A 52 -7.833 13.334 -1.018 1.00 0.00 C ATOM 695 C GLU A 52 -6.809 12.573 -1.873 1.00 0.00 C ATOM 696 O GLU A 52 -7.177 11.748 -2.708 1.00 0.00 O ATOM 697 CB GLU A 52 -7.263 14.514 -0.201 1.00 0.00 C ATOM 698 CG GLU A 52 -6.608 14.113 1.134 1.00 0.00 C ATOM 699 CD GLU A 52 -5.900 15.298 1.785 1.00 0.00 C ATOM 700 OE1 GLU A 52 -6.620 16.236 2.189 1.00 0.00 O ATOM 701 OE2 GLU A 52 -4.653 15.246 1.860 1.00 0.00 O ATOM 0 H GLU A 52 -9.555 12.783 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.498 13.770 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.526 15.037 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.068 15.220 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.368 13.724 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.892 13.309 0.963 1.00 0.00 H new ATOM 708 N ARG A 53 -5.524 12.826 -1.636 1.00 0.00 N ATOM 709 CA ARG A 53 -4.406 12.263 -2.366 1.00 0.00 C ATOM 710 C ARG A 53 -4.438 10.732 -2.422 1.00 0.00 C ATOM 711 O ARG A 53 -3.972 10.130 -3.385 1.00 0.00 O ATOM 712 CB ARG A 53 -3.129 12.781 -1.690 1.00 0.00 C ATOM 713 CG ARG A 53 -2.827 12.040 -0.380 1.00 0.00 C ATOM 714 CD ARG A 53 -1.717 12.716 0.417 1.00 0.00 C ATOM 715 NE ARG A 53 -2.227 13.763 1.310 1.00 0.00 N ATOM 716 CZ ARG A 53 -1.550 14.246 2.362 1.00 0.00 C ATOM 717 NH1 ARG A 53 -0.296 13.848 2.601 1.00 0.00 N ATOM 718 NH2 ARG A 53 -2.149 15.130 3.162 1.00 0.00 N ATOM 0 H ARG A 53 -5.227 13.460 -0.894 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.451 12.577 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.287 12.668 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.234 13.847 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.731 11.993 0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.539 11.013 -0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.188 11.966 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.992 13.151 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.153 14.147 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.152 13.173 1.981 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.213 14.220 3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.105 15.427 2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.651 15.509 3.967 1.00 0.00 H new ATOM 732 N LYS A 54 -4.978 10.098 -1.378 1.00 0.00 N ATOM 733 CA LYS A 54 -5.002 8.654 -1.244 1.00 0.00 C ATOM 734 C LYS A 54 -6.106 8.019 -2.099 1.00 0.00 C ATOM 735 O LYS A 54 -6.153 6.796 -2.208 1.00 0.00 O ATOM 736 CB LYS A 54 -5.087 8.277 0.245 1.00 0.00 C ATOM 737 CG LYS A 54 -4.123 9.128 1.094 1.00 0.00 C ATOM 738 CD LYS A 54 -3.900 8.596 2.511 1.00 0.00 C ATOM 739 CE LYS A 54 -3.162 9.626 3.374 1.00 0.00 C ATOM 740 NZ LYS A 54 -2.898 9.101 4.726 1.00 0.00 N ATOM 0 H LYS A 54 -5.414 10.587 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.072 8.241 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.108 8.417 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.848 7.221 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.161 9.186 0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.512 10.144 1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.860 8.354 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.324 7.671 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.220 9.896 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.756 10.537 3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.554 9.870 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.776 8.710 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.178 8.352 4.673 1.00 0.00 H new ATOM 754 N ALA A 55 -6.975 8.820 -2.733 1.00 0.00 N ATOM 755 CA ALA A 55 -8.027 8.311 -3.609 1.00 0.00 C ATOM 756 C ALA A 55 -7.448 7.385 -4.686 1.00 0.00 C ATOM 757 O ALA A 55 -8.016 6.335 -4.987 1.00 0.00 O ATOM 758 CB ALA A 55 -8.773 9.484 -4.251 1.00 0.00 C ATOM 0 H ALA A 55 -6.964 9.837 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.726 7.726 -3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.558 9.102 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.219 10.102 -3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.075 10.084 -4.835 1.00 0.00 H new ATOM 764 N MET A 56 -6.304 7.775 -5.257 1.00 0.00 N ATOM 765 CA MET A 56 -5.613 6.998 -6.276 1.00 0.00 C ATOM 766 C MET A 56 -5.255 5.617 -5.719 1.00 0.00 C ATOM 767 O MET A 56 -5.512 4.596 -6.356 1.00 0.00 O ATOM 768 CB MET A 56 -4.359 7.742 -6.762 1.00 0.00 C ATOM 769 CG MET A 56 -4.681 9.053 -7.495 1.00 0.00 C ATOM 770 SD MET A 56 -4.980 10.510 -6.456 1.00 0.00 S ATOM 771 CE MET A 56 -5.899 11.541 -7.619 1.00 0.00 C ATOM 0 H MET A 56 -5.832 8.647 -5.019 1.00 0.00 H new ATOM 0 HA MET A 56 -6.273 6.865 -7.133 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.719 7.959 -5.907 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.793 7.091 -7.427 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.855 9.279 -8.169 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.563 8.889 -8.115 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.164 12.483 -7.139 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.282 11.741 -8.495 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.807 11.022 -7.926 1.00 0.00 H new ATOM 781 N MET A 57 -4.675 5.593 -4.516 1.00 0.00 N ATOM 782 CA MET A 57 -4.309 4.370 -3.825 1.00 0.00 C ATOM 783 C MET A 57 -5.559 3.522 -3.634 1.00 0.00 C ATOM 784 O MET A 57 -5.569 2.356 -4.021 1.00 0.00 O ATOM 785 CB MET A 57 -3.649 4.707 -2.480 1.00 0.00 C ATOM 786 CG MET A 57 -2.165 4.339 -2.501 1.00 0.00 C ATOM 787 SD MET A 57 -1.263 4.611 -0.956 1.00 0.00 S ATOM 788 CE MET A 57 -1.883 6.211 -0.388 1.00 0.00 C ATOM 0 H MET A 57 -4.446 6.439 -3.994 1.00 0.00 H new ATOM 0 HA MET A 57 -3.588 3.804 -4.414 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.762 5.770 -2.270 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.152 4.168 -1.677 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.075 3.287 -2.772 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.679 4.914 -3.289 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.425 6.460 0.569 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.634 6.979 -1.120 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.965 6.161 -0.270 1.00 0.00 H new ATOM 798 N THR A 58 -6.609 4.118 -3.058 1.00 0.00 N ATOM 799 CA THR A 58 -7.890 3.458 -2.870 1.00 0.00 C ATOM 800 C THR A 58 -8.310 2.773 -4.166 1.00 0.00 C ATOM 801 O THR A 58 -8.515 1.565 -4.162 1.00 0.00 O ATOM 802 CB THR A 58 -8.936 4.451 -2.331 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.723 4.626 -0.946 1.00 0.00 O ATOM 804 CG2 THR A 58 -10.389 4.007 -2.548 1.00 0.00 C ATOM 0 H THR A 58 -6.586 5.077 -2.710 1.00 0.00 H new ATOM 0 HA THR A 58 -7.802 2.677 -2.114 1.00 0.00 H new ATOM 0 HB THR A 58 -8.803 5.377 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.872 3.776 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.064 4.760 -2.141 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.578 3.889 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.558 3.056 -2.042 1.00 0.00 H new ATOM 812 N ASN A 59 -8.399 3.505 -5.281 1.00 0.00 N ATOM 813 CA ASN A 59 -8.776 2.893 -6.551 1.00 0.00 C ATOM 814 C ASN A 59 -7.828 1.746 -6.903 1.00 0.00 C ATOM 815 O ASN A 59 -8.297 0.672 -7.282 1.00 0.00 O ATOM 816 CB ASN A 59 -8.804 3.938 -7.670 1.00 0.00 C ATOM 817 CG ASN A 59 -9.385 3.447 -9.005 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.665 4.269 -9.870 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.591 2.148 -9.236 1.00 0.00 N ATOM 0 H ASN A 59 -8.217 4.508 -5.327 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.780 2.482 -6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.386 4.795 -7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.787 4.291 -7.842 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.980 1.844 -10.129 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.360 1.460 -8.520 1.00 0.00 H new ATOM 826 N ALA A 60 -6.515 1.968 -6.806 1.00 0.00 N ATOM 827 CA ALA A 60 -5.528 0.957 -7.152 1.00 0.00 C ATOM 828 C ALA A 60 -5.782 -0.344 -6.388 1.00 0.00 C ATOM 829 O ALA A 60 -6.033 -1.382 -6.999 1.00 0.00 O ATOM 830 CB ALA A 60 -4.110 1.495 -6.926 1.00 0.00 C ATOM 0 H ALA A 60 -6.114 2.850 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.624 0.723 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.383 0.727 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.951 2.374 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.987 1.767 -5.878 1.00 0.00 H new ATOM 836 N VAL A 61 -5.751 -0.304 -5.053 1.00 0.00 N ATOM 837 CA VAL A 61 -5.964 -1.519 -4.275 1.00 0.00 C ATOM 838 C VAL A 61 -7.420 -2.003 -4.332 1.00 0.00 C ATOM 839 O VAL A 61 -7.658 -3.192 -4.145 1.00 0.00 O ATOM 840 CB VAL A 61 -5.430 -1.394 -2.842 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.899 -1.435 -2.813 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.906 -0.137 -2.120 1.00 0.00 C ATOM 0 H VAL A 61 -5.584 0.538 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.371 -2.301 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.838 -2.254 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.552 -1.344 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.552 -2.380 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.502 -0.610 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.489 -0.116 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.575 0.745 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.994 -0.141 -2.062 1.00 0.00 H new ATOM 852 N LYS A 62 -8.402 -1.140 -4.616 1.00 0.00 N ATOM 853 CA LYS A 62 -9.790 -1.574 -4.769 1.00 0.00 C ATOM 854 C LYS A 62 -9.894 -2.604 -5.901 1.00 0.00 C ATOM 855 O LYS A 62 -10.757 -3.476 -5.856 1.00 0.00 O ATOM 856 CB LYS A 62 -10.719 -0.367 -4.985 1.00 0.00 C ATOM 857 CG LYS A 62 -12.208 -0.741 -4.997 1.00 0.00 C ATOM 858 CD LYS A 62 -13.109 0.458 -5.336 1.00 0.00 C ATOM 859 CE LYS A 62 -13.028 1.621 -4.336 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.416 1.215 -2.974 1.00 0.00 N ATOM 0 H LYS A 62 -8.259 -0.138 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.119 -2.060 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.542 0.365 -4.197 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.465 0.114 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.375 -1.535 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.488 -1.139 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.842 0.828 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.142 0.115 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.011 2.013 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.677 2.431 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.609 2.061 -2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.271 0.624 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.642 0.672 -2.540 1.00 0.00 H new ATOM 874 N LYS A 63 -9.020 -2.520 -6.913 1.00 0.00 N ATOM 875 CA LYS A 63 -8.998 -3.498 -7.997 1.00 0.00 C ATOM 876 C LYS A 63 -8.407 -4.853 -7.548 1.00 0.00 C ATOM 877 O LYS A 63 -8.507 -5.835 -8.280 1.00 0.00 O ATOM 878 CB LYS A 63 -8.280 -2.919 -9.228 1.00 0.00 C ATOM 879 CG LYS A 63 -9.265 -2.348 -10.261 1.00 0.00 C ATOM 880 CD LYS A 63 -10.217 -1.301 -9.668 1.00 0.00 C ATOM 881 CE LYS A 63 -11.063 -0.656 -10.771 1.00 0.00 C ATOM 882 NZ LYS A 63 -12.089 0.240 -10.208 1.00 0.00 N ATOM 0 H LYS A 63 -8.321 -1.783 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.028 -3.707 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.594 -2.134 -8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.678 -3.698 -9.695 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.704 -1.898 -11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.850 -3.163 -10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.868 -1.770 -8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.644 -0.534 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.417 -0.094 -11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.543 -1.434 -11.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.361 0.947 -10.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.924 -0.316 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.707 0.722 -9.370 1.00 0.00 H new ATOM 896 N ALA A 64 -7.773 -4.910 -6.372 1.00 0.00 N ATOM 897 CA ALA A 64 -7.205 -6.114 -5.774 1.00 0.00 C ATOM 898 C ALA A 64 -8.293 -6.843 -4.977 1.00 0.00 C ATOM 899 O ALA A 64 -9.481 -6.546 -5.085 1.00 0.00 O ATOM 900 CB ALA A 64 -6.027 -5.684 -4.890 1.00 0.00 C ATOM 0 H ALA A 64 -7.638 -4.083 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.840 -6.808 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.579 -6.564 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.281 -5.176 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.383 -5.007 -4.114 1.00 0.00 H new ATOM 906 N SER A 65 -7.887 -7.823 -4.175 1.00 0.00 N ATOM 907 CA SER A 65 -8.738 -8.614 -3.292 1.00 0.00 C ATOM 908 C SER A 65 -7.863 -9.197 -2.178 1.00 0.00 C ATOM 909 O SER A 65 -6.652 -8.978 -2.171 1.00 0.00 O ATOM 910 CB SER A 65 -9.528 -9.674 -4.078 1.00 0.00 C ATOM 911 OG SER A 65 -10.587 -9.059 -4.786 1.00 0.00 O ATOM 0 H SER A 65 -6.907 -8.101 -4.121 1.00 0.00 H new ATOM 0 HA SER A 65 -9.500 -7.986 -2.830 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.867 -10.192 -4.773 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.924 -10.426 -3.395 1.00 0.00 H new ATOM 0 HG SER A 65 -10.389 -8.107 -4.910 1.00 0.00 H new ATOM 917 N ASP A 66 -8.472 -9.908 -1.224 1.00 0.00 N ATOM 918 CA ASP A 66 -7.806 -10.416 -0.031 1.00 0.00 C ATOM 919 C ASP A 66 -6.437 -11.049 -0.279 1.00 0.00 C ATOM 920 O ASP A 66 -5.470 -10.668 0.374 1.00 0.00 O ATOM 921 CB ASP A 66 -8.732 -11.367 0.732 1.00 0.00 C ATOM 922 CG ASP A 66 -8.105 -11.784 2.059 1.00 0.00 C ATOM 923 OD1 ASP A 66 -7.837 -10.872 2.872 1.00 0.00 O ATOM 924 OD2 ASP A 66 -7.901 -13.004 2.233 1.00 0.00 O ATOM 0 H ASP A 66 -9.462 -10.149 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.594 -9.541 0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.690 -10.881 0.914 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.933 -12.250 0.126 1.00 0.00 H new ATOM 929 N GLU A 67 -6.345 -12.013 -1.196 1.00 0.00 N ATOM 930 CA GLU A 67 -5.125 -12.700 -1.541 1.00 0.00 C ATOM 931 C GLU A 67 -4.000 -11.697 -1.801 1.00 0.00 C ATOM 932 O GLU A 67 -2.930 -11.733 -1.190 1.00 0.00 O ATOM 933 CB GLU A 67 -5.395 -13.569 -2.780 1.00 0.00 C ATOM 934 CG GLU A 67 -6.747 -14.307 -2.827 1.00 0.00 C ATOM 935 CD GLU A 67 -7.843 -13.506 -3.532 1.00 0.00 C ATOM 936 OE1 GLU A 67 -8.498 -12.706 -2.828 1.00 0.00 O ATOM 937 OE2 GLU A 67 -7.999 -13.702 -4.756 1.00 0.00 O ATOM 0 H GLU A 67 -7.151 -12.339 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.804 -13.335 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.323 -12.934 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.600 -14.311 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.616 -15.261 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.067 -14.532 -1.810 1.00 0.00 H new ATOM 944 N GLU A 68 -4.295 -10.779 -2.716 1.00 0.00 N ATOM 945 CA GLU A 68 -3.415 -9.731 -3.149 1.00 0.00 C ATOM 946 C GLU A 68 -3.048 -8.831 -1.975 1.00 0.00 C ATOM 947 O GLU A 68 -1.870 -8.584 -1.763 1.00 0.00 O ATOM 948 CB GLU A 68 -4.113 -8.923 -4.239 1.00 0.00 C ATOM 949 CG GLU A 68 -4.636 -9.751 -5.424 1.00 0.00 C ATOM 950 CD GLU A 68 -6.099 -10.171 -5.340 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.448 -10.891 -4.381 1.00 0.00 O ATOM 952 OE2 GLU A 68 -6.857 -9.742 -6.235 1.00 0.00 O ATOM 0 H GLU A 68 -5.198 -10.756 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.496 -10.163 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.950 -8.385 -3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.418 -8.174 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.494 -9.174 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.024 -10.648 -5.515 1.00 0.00 H new ATOM 959 N LEU A 69 -4.040 -8.332 -1.228 1.00 0.00 N ATOM 960 CA LEU A 69 -3.863 -7.440 -0.108 1.00 0.00 C ATOM 961 C LEU A 69 -2.933 -8.052 0.944 1.00 0.00 C ATOM 962 O LEU A 69 -1.980 -7.405 1.383 1.00 0.00 O ATOM 963 CB LEU A 69 -5.262 -7.163 0.445 1.00 0.00 C ATOM 964 CG LEU A 69 -6.136 -6.265 -0.449 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.580 -6.279 0.064 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.648 -4.815 -0.455 1.00 0.00 C ATOM 0 H LEU A 69 -5.019 -8.555 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.384 -6.509 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.774 -8.113 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.165 -6.695 1.425 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.074 -6.660 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.198 -5.643 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.965 -7.298 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.606 -5.906 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.293 -4.217 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.677 -4.417 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.625 -4.777 -0.830 1.00 0.00 H new ATOM 978 N LYS A 70 -3.198 -9.299 1.342 1.00 0.00 N ATOM 979 CA LYS A 70 -2.360 -10.006 2.298 1.00 0.00 C ATOM 980 C LYS A 70 -0.942 -10.089 1.749 1.00 0.00 C ATOM 981 O LYS A 70 0.011 -9.726 2.432 1.00 0.00 O ATOM 982 CB LYS A 70 -2.910 -11.412 2.567 1.00 0.00 C ATOM 983 CG LYS A 70 -4.210 -11.375 3.378 1.00 0.00 C ATOM 984 CD LYS A 70 -4.693 -12.768 3.811 1.00 0.00 C ATOM 985 CE LYS A 70 -4.896 -13.743 2.643 1.00 0.00 C ATOM 986 NZ LYS A 70 -3.661 -14.469 2.292 1.00 0.00 N ATOM 0 H LYS A 70 -3.996 -9.840 1.009 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.356 -9.462 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.089 -11.919 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.164 -11.996 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.061 -10.758 4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.988 -10.896 2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.969 -13.194 4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.633 -12.664 4.353 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.674 -14.461 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.250 -13.192 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.461 -14.344 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.868 -14.094 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.782 -15.481 2.499 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.798 -10.542 0.504 1.00 0.00 N ATOM 1001 CA ALA A 71 0.514 -10.670 -0.102 1.00 0.00 C ATOM 1002 C ALA A 71 1.225 -9.322 -0.248 1.00 0.00 C ATOM 1003 O ALA A 71 2.444 -9.260 -0.121 1.00 0.00 O ATOM 1004 CB ALA A 71 0.374 -11.388 -1.441 1.00 0.00 C ATOM 0 H ALA A 71 -1.573 -10.823 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 71 1.147 -11.263 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.356 -11.489 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.055 -12.377 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.279 -10.812 -2.096 1.00 0.00 H new ATOM 1010 N LEU A 72 0.492 -8.240 -0.516 1.00 0.00 N ATOM 1011 CA LEU A 72 1.014 -6.905 -0.644 1.00 0.00 C ATOM 1012 C LEU A 72 1.629 -6.536 0.702 1.00 0.00 C ATOM 1013 O LEU A 72 2.790 -6.129 0.773 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.175 -6.013 -1.030 1.00 0.00 C ATOM 1015 CG LEU A 72 -0.221 -5.563 -2.497 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -1.554 -4.848 -2.753 1.00 0.00 C ATOM 1017 CD2 LEU A 72 0.924 -4.606 -2.832 1.00 0.00 C ATOM 0 H LEU A 72 -0.518 -8.286 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 72 1.788 -6.794 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.096 -6.550 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.160 -5.126 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.121 -6.447 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.599 -4.523 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.378 -5.532 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.633 -3.980 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.857 -4.310 -3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.855 -3.721 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.878 -5.104 -2.656 1.00 0.00 H new ATOM 1029 N ALA A 73 0.848 -6.712 1.773 1.00 0.00 N ATOM 1030 CA ALA A 73 1.332 -6.484 3.120 1.00 0.00 C ATOM 1031 C ALA A 73 2.586 -7.324 3.367 1.00 0.00 C ATOM 1032 O ALA A 73 3.629 -6.779 3.721 1.00 0.00 O ATOM 1033 CB ALA A 73 0.224 -6.795 4.127 1.00 0.00 C ATOM 0 H ALA A 73 -0.125 -7.013 1.722 1.00 0.00 H new ATOM 0 HA ALA A 73 1.607 -5.437 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.592 -6.622 5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.632 -6.148 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.079 -7.837 4.024 1.00 0.00 H new ATOM 1039 N ASP A 74 2.501 -8.640 3.153 1.00 0.00 N ATOM 1040 CA ASP A 74 3.626 -9.552 3.327 1.00 0.00 C ATOM 1041 C ASP A 74 4.869 -9.047 2.587 1.00 0.00 C ATOM 1042 O ASP A 74 5.960 -9.081 3.149 1.00 0.00 O ATOM 1043 CB ASP A 74 3.270 -10.975 2.870 1.00 0.00 C ATOM 1044 CG ASP A 74 2.104 -11.597 3.637 1.00 0.00 C ATOM 1045 OD1 ASP A 74 1.963 -11.276 4.838 1.00 0.00 O ATOM 1046 OD2 ASP A 74 1.381 -12.401 3.010 1.00 0.00 O ATOM 0 H ASP A 74 1.643 -9.102 2.852 1.00 0.00 H new ATOM 0 HA ASP A 74 3.853 -9.586 4.393 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.024 -10.954 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.147 -11.612 2.982 1.00 0.00 H new ATOM 1051 N TYR A 75 4.724 -8.572 1.345 1.00 0.00 N ATOM 1052 CA TYR A 75 5.851 -8.038 0.592 1.00 0.00 C ATOM 1053 C TYR A 75 6.497 -6.884 1.368 1.00 0.00 C ATOM 1054 O TYR A 75 7.666 -6.942 1.748 1.00 0.00 O ATOM 1055 CB TYR A 75 5.385 -7.594 -0.803 1.00 0.00 C ATOM 1056 CG TYR A 75 6.514 -7.360 -1.787 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.297 -6.192 -1.706 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.811 -8.333 -2.760 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.387 -6.014 -2.575 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.879 -8.135 -3.652 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.669 -6.978 -3.557 1.00 0.00 C ATOM 1062 OH TYR A 75 9.695 -6.788 -4.432 1.00 0.00 O ATOM 0 H TYR A 75 3.835 -8.549 0.845 1.00 0.00 H new ATOM 0 HA TYR A 75 6.605 -8.814 0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.715 -8.352 -1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.806 -6.676 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.060 -5.433 -0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.217 -9.233 -2.821 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.009 -5.135 -2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.092 -8.873 -4.411 1.00 0.00 H new ATOM 0 HH TYR A 75 9.750 -7.553 -5.043 1.00 0.00 H new ATOM 1072 N MET A 76 5.722 -5.829 1.623 1.00 0.00 N ATOM 1073 CA MET A 76 6.169 -4.643 2.320 1.00 0.00 C ATOM 1074 C MET A 76 6.676 -4.927 3.737 1.00 0.00 C ATOM 1075 O MET A 76 7.494 -4.166 4.249 1.00 0.00 O ATOM 1076 CB MET A 76 5.016 -3.643 2.245 1.00 0.00 C ATOM 1077 CG MET A 76 5.220 -2.744 1.022 1.00 0.00 C ATOM 1078 SD MET A 76 3.775 -1.858 0.400 1.00 0.00 S ATOM 1079 CE MET A 76 3.153 -3.075 -0.771 1.00 0.00 C ATOM 0 H MET A 76 4.743 -5.784 1.340 1.00 0.00 H new ATOM 0 HA MET A 76 7.053 -4.219 1.844 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.064 -4.169 2.172 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.979 -3.042 3.153 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.987 -2.009 1.267 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.614 -3.359 0.213 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.645 -2.566 -1.590 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.985 -3.658 -1.166 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.451 -3.740 -0.267 1.00 0.00 H new ATOM 1089 N SER A 77 6.229 -6.016 4.365 1.00 0.00 N ATOM 1090 CA SER A 77 6.709 -6.454 5.658 1.00 0.00 C ATOM 1091 C SER A 77 8.165 -6.928 5.619 1.00 0.00 C ATOM 1092 O SER A 77 8.774 -7.055 6.678 1.00 0.00 O ATOM 1093 CB SER A 77 5.830 -7.600 6.135 1.00 0.00 C ATOM 1094 OG SER A 77 4.500 -7.164 6.266 1.00 0.00 O ATOM 0 H SER A 77 5.509 -6.624 3.974 1.00 0.00 H new ATOM 0 HA SER A 77 6.663 -5.602 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.882 -8.428 5.428 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.194 -7.975 7.092 1.00 0.00 H new ATOM 0 HG SER A 77 4.135 -6.957 5.380 1.00 0.00 H new ATOM 1100 N LYS A 78 8.707 -7.235 4.435 1.00 0.00 N ATOM 1101 CA LYS A 78 10.067 -7.731 4.276 1.00 0.00 C ATOM 1102 C LYS A 78 10.693 -6.896 3.168 1.00 0.00 C ATOM 1103 O LYS A 78 11.019 -7.394 2.091 1.00 0.00 O ATOM 1104 CB LYS A 78 10.025 -9.236 3.968 1.00 0.00 C ATOM 1105 CG LYS A 78 11.426 -9.860 4.000 1.00 0.00 C ATOM 1106 CD LYS A 78 11.357 -11.346 3.631 1.00 0.00 C ATOM 1107 CE LYS A 78 12.740 -12.006 3.690 1.00 0.00 C ATOM 1108 NZ LYS A 78 13.685 -11.396 2.737 1.00 0.00 N ATOM 0 H LYS A 78 8.202 -7.143 3.553 1.00 0.00 H new ATOM 0 HA LYS A 78 10.672 -7.632 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.386 -9.739 4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.578 -9.394 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.081 -9.336 3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.860 -9.745 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.679 -11.860 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.944 -11.454 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.139 -11.921 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.643 -13.070 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.548 -11.974 2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.245 -11.346 1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.929 -10.437 3.056 1.00 0.00 H new ATOM 1122 N LEU A 79 10.826 -5.602 3.447 1.00 0.00 N ATOM 1123 CA LEU A 79 11.242 -4.591 2.528 1.00 0.00 C ATOM 1124 C LEU A 79 12.157 -3.629 3.276 1.00 0.00 C ATOM 1125 O LEU A 79 11.979 -3.537 4.513 1.00 0.00 O ATOM 1126 CB LEU A 79 9.923 -3.930 2.152 1.00 0.00 C ATOM 1127 CG LEU A 79 10.056 -2.946 1.008 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.671 -3.555 -0.258 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.678 -2.375 0.692 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.999 -2.989 2.611 1.00 0.00 O ATOM 0 H LEU A 79 10.631 -5.229 4.376 1.00 0.00 H new ATOM 0 HA LEU A 79 11.791 -4.943 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.202 -4.701 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.521 -3.413 3.023 1.00 0.00 H new ATOM 0 HG LEU A 79 10.743 -2.164 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.735 -2.793 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.670 -3.929 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.046 -4.377 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.759 -1.664 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.005 -3.184 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.284 -1.868 1.573 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 1.049 4.192 -0.993 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.487 4.986 2.317 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.327 0.961 -0.057 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.828 3.357 -4.258 1.00 6.02 C HETATM 1147 CHD HEC A 80 1.450 7.484 -1.774 1.00 10.53 C HETATM 1148 NA HEC A 80 1.001 3.162 0.767 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.242 3.658 2.032 1.00 6.23 C HETATM 1150 C2A HEC A 80 1.087 2.633 3.032 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.669 1.523 2.377 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.653 1.844 0.963 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.265 0.207 2.970 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.273 2.845 4.513 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.024 3.390 5.226 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.309 4.303 6.420 1.00 22.27 C HETATM 1157 O1A HEC A 80 -0.629 4.612 7.147 1.00 18.65 O HETATM 1158 O2A HEC A 80 1.445 4.731 6.592 1.00 17.21 O HETATM 1159 NB HEC A 80 0.647 2.506 -1.963 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.352 1.268 -1.417 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.111 0.309 -2.463 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.290 0.954 -3.649 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.595 2.340 -3.332 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.215 -1.140 -2.205 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.250 0.361 -5.041 1.00 6.35 C HETATM 1166 CBB HEC A 80 -1.079 -0.295 -5.434 1.00 6.48 C HETATM 1167 NC HEC A 80 1.175 5.215 -2.685 1.00 3.58 N HETATM 1168 C1C HEC A 80 1.083 4.699 -3.962 1.00 4.45 C HETATM 1169 C2C HEC A 80 1.360 5.739 -4.936 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.726 6.852 -4.231 1.00 8.44 C HETATM 1171 C4C HEC A 80 1.459 6.561 -2.829 1.00 11.13 C HETATM 1172 CMC HEC A 80 1.314 5.539 -6.434 1.00 8.62 C HETATM 1173 CAC HEC A 80 2.323 8.153 -4.736 1.00 3.39 C HETATM 1174 CBC HEC A 80 1.822 8.678 -6.086 1.00 10.94 C HETATM 1175 ND HEC A 80 1.195 5.877 0.056 1.00 4.28 N HETATM 1176 C1D HEC A 80 1.247 7.159 -0.433 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.952 8.090 0.641 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.871 7.364 1.793 1.00 5.11 C HETATM 1179 C4D HEC A 80 1.231 6.017 1.430 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.663 9.551 0.438 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.359 7.826 3.147 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.778 7.103 4.442 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.213 7.863 5.629 1.00 6.46 C HETATM 1184 O1D HEC A 80 0.844 8.834 6.039 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.847 7.476 6.115 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.519 10.029 -0.038 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.215 9.663 -0.198 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.475 10.022 1.403 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 2.034 4.773 -6.721 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.313 5.224 -6.728 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.562 6.475 -6.934 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.603 -1.605 -1.655 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.131 -1.208 -1.619 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.353 -1.657 -3.155 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 1.102 -0.213 3.528 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.581 0.355 3.641 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.020 -0.479 2.173 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.408 6.078 4.439 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.865 7.049 4.510 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 2.031 7.942 -6.863 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 0.748 8.854 -6.032 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 2.331 9.612 -6.325 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.301 -1.109 -4.744 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.877 0.446 -5.390 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -1.005 -0.689 -6.448 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.578 3.940 4.503 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.578 2.548 5.567 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.647 8.872 3.257 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.730 7.798 3.103 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.558 1.899 4.973 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 2.100 3.537 4.670 1.00 7.29 H new HETATM 0 HHD HEC A 80 1.614 8.533 -2.020 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.809 3.079 -5.312 1.00 6.02 H new HETATM 0 HHB HEC A 80 0.029 -0.048 0.226 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.904 5.236 3.292 1.00 5.52 H new