USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=26 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 44 TYR OH : rot 155:sc=-0.00994 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.133) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 1.59 (180deg=-0.406) USER MOD Single : A 7 TYR OH : rot -173:sc= 1.18 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 19 SER OG : rot -116:sc= 1.37 USER MOD Single : A 20 LYS NZ :NH3+ 136:sc= 0.317 (180deg=-0.12) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 1.01 (180deg=0.529) USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0.808 (180deg=0.767) USER MOD Single : A 32 GLN : amide:sc= 0.929 K(o=0.93,f=-4.6!) USER MOD Single : A 38 TYR OH : rot 26:sc= 1.1 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0433) USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= 1.15 (180deg=0.349) USER MOD Single : A 41 MET CE :methyl 144:sc= -1.86 (180deg=-5.43!) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0189) USER MOD Single : A 48 SER OG : rot -110:sc= 1.41 USER MOD Single : A 49 TYR OH : rot -162:sc= 0.964 USER MOD Single : A 56 MET CE :methyl -174:sc= 0 (180deg=-0.0191) USER MOD Single : A 57 MET CE :methyl 166:sc= -2.14 (180deg=-3.96) USER MOD Single : A 58 THR OG1 : rot -69:sc= 1 USER MOD Single : A 59 ASN : amide:sc= 0.256 X(o=0.26,f=-0.02) USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= 1.38 (180deg=1.03) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 80:sc= 0.665 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -151:sc= -0.741 (180deg=-2.65!) USER MOD Single : A 77 SER OG : rot -39:sc= 0.524 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.363 (180deg=0.339) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.520 -16.574 -4.366 1.00 0.00 N ATOM 2 CA ALA A 1 -0.034 -15.342 -3.723 1.00 0.00 C ATOM 3 C ALA A 1 0.680 -14.517 -4.787 1.00 0.00 C ATOM 4 O ALA A 1 0.960 -15.078 -5.844 1.00 0.00 O ATOM 5 CB ALA A 1 0.911 -15.662 -2.562 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.559 -16.560 -4.401 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.142 -16.634 -5.333 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.203 -17.400 -3.819 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.871 -14.783 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.254 -14.734 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.384 -16.259 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.769 -16.222 -2.935 1.00 0.00 H new ATOM 13 N ASP A 2 0.945 -13.235 -4.526 1.00 0.00 N ATOM 14 CA ASP A 2 1.647 -12.342 -5.438 1.00 0.00 C ATOM 15 C ASP A 2 2.294 -11.224 -4.630 1.00 0.00 C ATOM 16 O ASP A 2 3.342 -11.399 -4.016 1.00 0.00 O ATOM 17 CB ASP A 2 0.721 -11.902 -6.590 1.00 0.00 C ATOM 18 CG ASP A 2 1.443 -11.108 -7.684 1.00 0.00 C ATOM 19 OD1 ASP A 2 2.509 -10.520 -7.390 1.00 0.00 O ATOM 20 OD2 ASP A 2 0.895 -11.092 -8.806 1.00 0.00 O ATOM 0 H ASP A 2 0.670 -12.783 -3.654 1.00 0.00 H new ATOM 0 HA ASP A 2 2.467 -12.848 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.263 -12.785 -7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.087 -11.294 -6.184 1.00 0.00 H new ATOM 25 N GLY A 3 1.654 -10.069 -4.647 1.00 0.00 N ATOM 26 CA GLY A 3 2.093 -8.860 -3.970 1.00 0.00 C ATOM 27 C GLY A 3 3.222 -8.190 -4.752 1.00 0.00 C ATOM 28 O GLY A 3 3.097 -7.040 -5.165 1.00 0.00 O ATOM 0 H GLY A 3 0.778 -9.941 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.256 -8.170 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.434 -9.103 -2.964 1.00 0.00 H new ATOM 32 N ALA A 4 4.311 -8.924 -4.987 1.00 0.00 N ATOM 33 CA ALA A 4 5.479 -8.438 -5.709 1.00 0.00 C ATOM 34 C ALA A 4 5.111 -7.704 -7.002 1.00 0.00 C ATOM 35 O ALA A 4 5.558 -6.580 -7.222 1.00 0.00 O ATOM 36 CB ALA A 4 6.423 -9.609 -5.995 1.00 0.00 C ATOM 0 H ALA A 4 4.404 -9.890 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 4 5.982 -7.706 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.298 -9.247 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.738 -10.060 -5.054 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.906 -10.354 -6.599 1.00 0.00 H new ATOM 42 N ALA A 5 4.291 -8.323 -7.858 1.00 0.00 N ATOM 43 CA ALA A 5 3.921 -7.717 -9.130 1.00 0.00 C ATOM 44 C ALA A 5 3.072 -6.460 -8.933 1.00 0.00 C ATOM 45 O ALA A 5 3.245 -5.478 -9.648 1.00 0.00 O ATOM 46 CB ALA A 5 3.196 -8.734 -10.013 1.00 0.00 C ATOM 0 H ALA A 5 3.875 -9.239 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 5 4.838 -7.410 -9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.926 -8.267 -10.960 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.851 -9.584 -10.202 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.293 -9.077 -9.507 1.00 0.00 H new ATOM 52 N LEU A 6 2.145 -6.484 -7.972 1.00 0.00 N ATOM 53 CA LEU A 6 1.248 -5.402 -7.671 1.00 0.00 C ATOM 54 C LEU A 6 2.034 -4.182 -7.183 1.00 0.00 C ATOM 55 O LEU A 6 1.761 -3.054 -7.588 1.00 0.00 O ATOM 56 CB LEU A 6 0.301 -5.922 -6.592 1.00 0.00 C ATOM 57 CG LEU A 6 -0.815 -6.838 -7.120 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.305 -8.188 -7.636 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.814 -7.104 -5.991 1.00 0.00 C ATOM 0 H LEU A 6 2.006 -7.295 -7.369 1.00 0.00 H new ATOM 0 HA LEU A 6 0.690 -5.082 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.881 -6.467 -5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.153 -5.072 -6.083 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.274 -6.319 -7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.146 -8.782 -7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.396 -8.023 -8.454 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.198 -8.720 -6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.610 -7.753 -6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.303 -7.589 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.242 -6.160 -5.653 1.00 0.00 H new ATOM 71 N TYR A 7 3.008 -4.422 -6.302 1.00 0.00 N ATOM 72 CA TYR A 7 3.821 -3.388 -5.679 1.00 0.00 C ATOM 73 C TYR A 7 4.454 -2.414 -6.666 1.00 0.00 C ATOM 74 O TYR A 7 4.508 -1.216 -6.405 1.00 0.00 O ATOM 75 CB TYR A 7 4.946 -4.027 -4.867 1.00 0.00 C ATOM 76 CG TYR A 7 5.679 -3.006 -4.016 1.00 0.00 C ATOM 77 CD1 TYR A 7 4.986 -2.334 -2.991 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.932 -2.522 -4.439 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.521 -1.164 -2.426 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.477 -1.367 -3.854 1.00 0.00 C ATOM 81 CZ TYR A 7 6.756 -0.668 -2.872 1.00 0.00 C ATOM 82 OH TYR A 7 7.248 0.487 -2.348 1.00 0.00 O ATOM 0 H TYR A 7 3.255 -5.364 -5.998 1.00 0.00 H new ATOM 0 HA TYR A 7 3.135 -2.821 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.534 -4.806 -4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.652 -4.511 -5.542 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.041 -2.719 -2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.475 -3.040 -5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.981 -0.646 -1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.452 -1.016 -4.160 1.00 0.00 H new ATOM 0 HH TYR A 7 8.050 0.755 -2.843 1.00 0.00 H new ATOM 92 N LYS A 8 4.995 -2.947 -7.759 1.00 0.00 N ATOM 93 CA LYS A 8 5.705 -2.243 -8.795 1.00 0.00 C ATOM 94 C LYS A 8 5.231 -0.796 -8.995 1.00 0.00 C ATOM 95 O LYS A 8 5.978 0.140 -8.730 1.00 0.00 O ATOM 96 CB LYS A 8 5.564 -3.095 -10.052 1.00 0.00 C ATOM 97 CG LYS A 8 6.354 -4.411 -9.985 1.00 0.00 C ATOM 98 CD LYS A 8 6.218 -5.231 -11.276 1.00 0.00 C ATOM 99 CE LYS A 8 6.856 -4.539 -12.487 1.00 0.00 C ATOM 100 NZ LYS A 8 6.830 -5.413 -13.674 1.00 0.00 N ATOM 0 H LYS A 8 4.939 -3.948 -7.946 1.00 0.00 H new ATOM 0 HA LYS A 8 6.752 -2.120 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.510 -3.320 -10.214 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.903 -2.519 -10.913 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.406 -4.193 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.001 -5.003 -9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.684 -6.206 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.162 -5.409 -11.479 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.324 -3.613 -12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.886 -4.268 -12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.268 -4.920 -14.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.359 -6.286 -13.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.845 -5.651 -13.909 1.00 0.00 H new ATOM 114 N SER A 9 3.986 -0.591 -9.423 1.00 0.00 N ATOM 115 CA SER A 9 3.432 0.733 -9.675 1.00 0.00 C ATOM 116 C SER A 9 3.575 1.696 -8.485 1.00 0.00 C ATOM 117 O SER A 9 3.823 2.889 -8.658 1.00 0.00 O ATOM 118 CB SER A 9 1.956 0.550 -10.037 1.00 0.00 C ATOM 119 OG SER A 9 1.835 -0.535 -10.941 1.00 0.00 O ATOM 0 H SER A 9 3.329 -1.349 -9.606 1.00 0.00 H new ATOM 0 HA SER A 9 3.994 1.193 -10.488 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.369 0.359 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.563 1.461 -10.487 1.00 0.00 H new ATOM 0 HG SER A 9 0.892 -0.661 -11.177 1.00 0.00 H new ATOM 125 N CYS A 10 3.427 1.169 -7.269 1.00 0.00 N ATOM 126 CA CYS A 10 3.446 1.916 -6.019 1.00 0.00 C ATOM 127 C CYS A 10 4.794 2.600 -5.808 1.00 0.00 C ATOM 128 O CYS A 10 4.873 3.618 -5.113 1.00 0.00 O ATOM 129 CB CYS A 10 3.125 0.986 -4.844 1.00 0.00 C ATOM 130 SG CYS A 10 1.845 -0.277 -5.116 1.00 0.00 S ATOM 0 H CYS A 10 3.285 0.169 -7.127 1.00 0.00 H new ATOM 0 HA CYS A 10 2.683 2.692 -6.073 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.045 0.479 -4.552 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.819 1.602 -3.998 1.00 0.00 H new ATOM 135 N ILE A 11 5.852 2.057 -6.428 1.00 0.00 N ATOM 136 CA ILE A 11 7.187 2.634 -6.391 1.00 0.00 C ATOM 137 C ILE A 11 7.111 4.124 -6.733 1.00 0.00 C ATOM 138 O ILE A 11 7.863 4.909 -6.160 1.00 0.00 O ATOM 139 CB ILE A 11 8.132 1.876 -7.343 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.358 0.453 -6.797 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.483 2.585 -7.531 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.137 -0.458 -7.751 1.00 0.00 C ATOM 0 H ILE A 11 5.795 1.196 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 11 7.597 2.536 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 11 7.657 1.842 -8.323 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.896 0.518 -5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.391 -0.002 -6.583 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.107 2.005 -8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.318 3.578 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.984 2.675 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.257 -1.442 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.591 -0.554 -8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.119 -0.026 -7.946 1.00 0.00 H new ATOM 154 N GLY A 12 6.185 4.509 -7.623 1.00 0.00 N ATOM 155 CA GLY A 12 5.957 5.892 -8.014 1.00 0.00 C ATOM 156 C GLY A 12 5.909 6.852 -6.823 1.00 0.00 C ATOM 157 O GLY A 12 6.387 7.978 -6.941 1.00 0.00 O ATOM 0 H GLY A 12 5.566 3.850 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.748 6.206 -8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.018 5.958 -8.564 1.00 0.00 H new ATOM 161 N CYS A 13 5.337 6.423 -5.689 1.00 0.00 N ATOM 162 CA CYS A 13 5.263 7.255 -4.488 1.00 0.00 C ATOM 163 C CYS A 13 6.122 6.688 -3.362 1.00 0.00 C ATOM 164 O CYS A 13 6.630 7.457 -2.554 1.00 0.00 O ATOM 165 CB CYS A 13 3.814 7.403 -4.010 1.00 0.00 C ATOM 166 SG CYS A 13 2.802 8.575 -4.963 1.00 0.00 S ATOM 0 H CYS A 13 4.918 5.499 -5.582 1.00 0.00 H new ATOM 0 HA CYS A 13 5.649 8.239 -4.755 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.336 6.424 -4.042 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.823 7.719 -2.967 1.00 0.00 H new ATOM 171 N HIS A 14 6.284 5.365 -3.282 1.00 0.00 N ATOM 172 CA HIS A 14 6.957 4.725 -2.156 1.00 0.00 C ATOM 173 C HIS A 14 8.428 4.372 -2.374 1.00 0.00 C ATOM 174 O HIS A 14 9.165 4.210 -1.402 1.00 0.00 O ATOM 175 CB HIS A 14 6.131 3.504 -1.765 1.00 0.00 C ATOM 176 CG HIS A 14 4.804 3.916 -1.201 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.723 4.646 -0.030 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.513 3.801 -1.655 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.422 4.825 0.225 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.621 4.289 -0.702 1.00 0.00 N ATOM 0 H HIS A 14 5.953 4.713 -3.993 1.00 0.00 H new ATOM 0 HA HIS A 14 7.006 5.454 -1.347 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.979 2.868 -2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.675 2.912 -1.030 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.505 4.983 0.532 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.230 3.391 -2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.055 5.351 1.094 1.00 0.00 H new ATOM 188 N GLY A 15 8.892 4.282 -3.618 1.00 0.00 N ATOM 189 CA GLY A 15 10.264 3.884 -3.880 1.00 0.00 C ATOM 190 C GLY A 15 10.411 2.364 -3.829 1.00 0.00 C ATOM 191 O GLY A 15 9.525 1.652 -3.354 1.00 0.00 O ATOM 0 H GLY A 15 8.339 4.479 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.572 4.250 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.926 4.342 -3.145 1.00 0.00 H new ATOM 195 N ALA A 16 11.537 1.866 -4.351 1.00 0.00 N ATOM 196 CA ALA A 16 11.827 0.441 -4.443 1.00 0.00 C ATOM 197 C ALA A 16 11.617 -0.250 -3.097 1.00 0.00 C ATOM 198 O ALA A 16 10.743 -1.100 -2.962 1.00 0.00 O ATOM 199 CB ALA A 16 13.252 0.236 -4.967 1.00 0.00 C ATOM 0 H ALA A 16 12.280 2.455 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 16 11.133 -0.017 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.465 -0.831 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.345 0.688 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.961 0.705 -4.285 1.00 0.00 H new ATOM 205 N ASP A 17 12.381 0.152 -2.082 1.00 0.00 N ATOM 206 CA ASP A 17 12.323 -0.423 -0.741 1.00 0.00 C ATOM 207 C ASP A 17 11.325 0.306 0.151 1.00 0.00 C ATOM 208 O ASP A 17 11.584 0.517 1.328 1.00 0.00 O ATOM 209 CB ASP A 17 13.728 -0.413 -0.142 1.00 0.00 C ATOM 210 CG ASP A 17 14.262 0.988 0.157 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.086 1.869 -0.716 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.854 1.164 1.243 1.00 0.00 O ATOM 0 H ASP A 17 13.069 0.900 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 17 11.966 -1.451 -0.810 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.724 -0.994 0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.410 -0.912 -0.830 1.00 0.00 H new ATOM 217 N GLY A 18 10.210 0.729 -0.442 1.00 0.00 N ATOM 218 CA GLY A 18 9.094 1.418 0.199 1.00 0.00 C ATOM 219 C GLY A 18 9.515 2.484 1.214 1.00 0.00 C ATOM 220 O GLY A 18 8.859 2.663 2.242 1.00 0.00 O ATOM 0 H GLY A 18 10.053 0.591 -1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.481 1.887 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.467 0.681 0.701 1.00 0.00 H new ATOM 224 N SER A 19 10.599 3.199 0.917 1.00 0.00 N ATOM 225 CA SER A 19 11.252 4.150 1.792 1.00 0.00 C ATOM 226 C SER A 19 10.609 5.534 1.775 1.00 0.00 C ATOM 227 O SER A 19 10.506 6.173 2.820 1.00 0.00 O ATOM 228 CB SER A 19 12.715 4.214 1.346 1.00 0.00 C ATOM 229 OG SER A 19 12.779 4.159 -0.072 1.00 0.00 O ATOM 0 H SER A 19 11.063 3.121 0.012 1.00 0.00 H new ATOM 0 HA SER A 19 11.157 3.817 2.826 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.177 5.133 1.706 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.275 3.385 1.779 1.00 0.00 H new ATOM 0 HG SER A 19 13.247 3.343 -0.347 1.00 0.00 H new ATOM 235 N LYS A 20 10.217 6.039 0.605 1.00 0.00 N ATOM 236 CA LYS A 20 9.679 7.345 0.447 1.00 0.00 C ATOM 237 C LYS A 20 8.343 7.473 1.184 1.00 0.00 C ATOM 238 O LYS A 20 7.432 6.662 1.000 1.00 0.00 O ATOM 239 CB LYS A 20 9.580 7.540 -1.069 1.00 0.00 C ATOM 240 CG LYS A 20 9.099 8.939 -1.338 1.00 0.00 C ATOM 241 CD LYS A 20 9.154 9.310 -2.825 1.00 0.00 C ATOM 242 CE LYS A 20 8.158 10.432 -3.145 1.00 0.00 C ATOM 243 NZ LYS A 20 8.347 11.610 -2.281 1.00 0.00 N ATOM 0 H LYS A 20 10.276 5.518 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 20 10.297 8.128 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.551 7.377 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.892 6.813 -1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.074 9.041 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.707 9.643 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.163 9.628 -3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.928 8.433 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.270 10.728 -4.188 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.141 10.057 -3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.298 12.474 -2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.600 11.633 -1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.276 11.555 -1.817 1.00 0.00 H new ATOM 257 N ALA A 21 8.204 8.543 1.975 1.00 0.00 N ATOM 258 CA ALA A 21 7.012 8.863 2.754 1.00 0.00 C ATOM 259 C ALA A 21 5.895 9.439 1.867 1.00 0.00 C ATOM 260 O ALA A 21 5.182 10.365 2.268 1.00 0.00 O ATOM 261 CB ALA A 21 7.422 9.847 3.856 1.00 0.00 C ATOM 0 H ALA A 21 8.947 9.232 2.091 1.00 0.00 H new ATOM 0 HA ALA A 21 6.604 7.956 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.550 10.105 4.456 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.177 9.386 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.831 10.750 3.403 1.00 0.00 H new ATOM 267 N ALA A 22 5.720 8.853 0.677 1.00 0.00 N ATOM 268 CA ALA A 22 4.771 9.256 -0.344 1.00 0.00 C ATOM 269 C ALA A 22 4.764 10.772 -0.545 1.00 0.00 C ATOM 270 O ALA A 22 5.815 11.409 -0.492 1.00 0.00 O ATOM 271 CB ALA A 22 3.399 8.660 -0.029 1.00 0.00 C ATOM 0 H ALA A 22 6.271 8.042 0.394 1.00 0.00 H new ATOM 0 HA ALA A 22 5.079 8.854 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.686 8.963 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.471 7.573 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.061 9.019 0.943 1.00 0.00 H new ATOM 277 N MET A 23 3.578 11.339 -0.782 1.00 0.00 N ATOM 278 CA MET A 23 3.369 12.762 -0.981 1.00 0.00 C ATOM 279 C MET A 23 2.503 13.288 0.167 1.00 0.00 C ATOM 280 O MET A 23 1.563 14.047 -0.058 1.00 0.00 O ATOM 281 CB MET A 23 2.704 12.989 -2.350 1.00 0.00 C ATOM 282 CG MET A 23 3.417 12.283 -3.514 1.00 0.00 C ATOM 283 SD MET A 23 5.177 12.651 -3.723 1.00 0.00 S ATOM 284 CE MET A 23 5.477 11.815 -5.295 1.00 0.00 C ATOM 0 H MET A 23 2.715 10.798 -0.841 1.00 0.00 H new ATOM 0 HA MET A 23 4.315 13.304 -0.978 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.672 12.640 -2.304 1.00 0.00 H new ATOM 0 HB3 MET A 23 2.670 14.059 -2.553 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.307 11.207 -3.380 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.902 12.543 -4.438 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.522 11.939 -5.580 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.253 10.753 -5.191 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.837 12.247 -6.065 1.00 0.00 H new ATOM 294 N GLY A 24 2.785 12.865 1.405 1.00 0.00 N ATOM 295 CA GLY A 24 1.994 13.311 2.544 1.00 0.00 C ATOM 296 C GLY A 24 2.495 12.753 3.873 1.00 0.00 C ATOM 297 O GLY A 24 1.692 12.322 4.694 1.00 0.00 O ATOM 0 H GLY A 24 3.544 12.224 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.008 14.400 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.956 13.011 2.398 1.00 0.00 H new ATOM 301 N SER A 25 3.814 12.780 4.093 1.00 0.00 N ATOM 302 CA SER A 25 4.443 12.315 5.328 1.00 0.00 C ATOM 303 C SER A 25 3.941 10.928 5.748 1.00 0.00 C ATOM 304 O SER A 25 3.632 10.695 6.916 1.00 0.00 O ATOM 305 CB SER A 25 4.219 13.346 6.439 1.00 0.00 C ATOM 306 OG SER A 25 4.629 14.626 5.999 1.00 0.00 O ATOM 0 H SER A 25 4.482 13.131 3.406 1.00 0.00 H new ATOM 0 HA SER A 25 5.513 12.212 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.166 13.368 6.719 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.780 13.061 7.329 1.00 0.00 H new ATOM 0 HG SER A 25 4.481 15.280 6.713 1.00 0.00 H new ATOM 312 N ALA A 26 3.859 10.011 4.785 1.00 0.00 N ATOM 313 CA ALA A 26 3.396 8.655 5.025 1.00 0.00 C ATOM 314 C ALA A 26 4.370 7.903 5.925 1.00 0.00 C ATOM 315 O ALA A 26 5.576 8.134 5.834 1.00 0.00 O ATOM 316 CB ALA A 26 3.305 7.932 3.678 1.00 0.00 C ATOM 0 H ALA A 26 4.114 10.194 3.814 1.00 0.00 H new ATOM 0 HA ALA A 26 2.424 8.690 5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.959 6.911 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.603 8.457 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.288 7.913 3.208 1.00 0.00 H new ATOM 322 N LYS A 27 3.884 6.992 6.779 1.00 0.00 N ATOM 323 CA LYS A 27 4.818 6.131 7.491 1.00 0.00 C ATOM 324 C LYS A 27 5.441 5.300 6.368 1.00 0.00 C ATOM 325 O LYS A 27 4.705 4.849 5.486 1.00 0.00 O ATOM 326 CB LYS A 27 4.153 5.251 8.568 1.00 0.00 C ATOM 327 CG LYS A 27 2.915 5.842 9.262 1.00 0.00 C ATOM 328 CD LYS A 27 3.192 6.988 10.254 1.00 0.00 C ATOM 329 CE LYS A 27 3.506 8.357 9.632 1.00 0.00 C ATOM 330 NZ LYS A 27 2.392 8.876 8.818 1.00 0.00 N ATOM 0 H LYS A 27 2.896 6.840 6.983 1.00 0.00 H new ATOM 0 HA LYS A 27 5.547 6.703 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.868 4.305 8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.897 5.024 9.331 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.230 6.206 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.402 5.041 9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.324 7.097 10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.030 6.698 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.735 9.069 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.398 8.274 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.759 9.551 8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.924 8.088 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.706 9.357 9.435 1.00 0.00 H new ATOM 344 N PRO A 28 6.770 5.149 6.311 1.00 0.00 N ATOM 345 CA PRO A 28 7.381 4.445 5.206 1.00 0.00 C ATOM 346 C PRO A 28 6.801 3.040 5.133 1.00 0.00 C ATOM 347 O PRO A 28 6.545 2.408 6.157 1.00 0.00 O ATOM 348 CB PRO A 28 8.887 4.471 5.475 1.00 0.00 C ATOM 349 CG PRO A 28 8.971 4.635 6.995 1.00 0.00 C ATOM 350 CD PRO A 28 7.752 5.503 7.318 1.00 0.00 C ATOM 0 HA PRO A 28 7.185 4.901 4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.371 3.553 5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.374 5.295 4.954 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.929 3.674 7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.901 5.117 7.298 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.379 5.303 8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.999 6.564 7.275 1.00 0.00 H new ATOM 358 N VAL A 29 6.534 2.574 3.916 1.00 0.00 N ATOM 359 CA VAL A 29 5.961 1.259 3.711 1.00 0.00 C ATOM 360 C VAL A 29 6.952 0.224 4.238 1.00 0.00 C ATOM 361 O VAL A 29 6.541 -0.708 4.929 1.00 0.00 O ATOM 362 CB VAL A 29 5.647 1.081 2.215 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.349 -0.373 1.841 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.428 1.930 1.849 1.00 0.00 C ATOM 0 H VAL A 29 6.709 3.095 3.057 1.00 0.00 H new ATOM 0 HA VAL A 29 5.024 1.132 4.252 1.00 0.00 H new ATOM 0 HB VAL A 29 6.534 1.396 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.135 -0.438 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.214 -0.994 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.486 -0.725 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.203 1.806 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.571 1.611 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.640 2.979 2.054 1.00 0.00 H new ATOM 374 N LYS A 30 8.236 0.437 3.910 1.00 0.00 N ATOM 375 CA LYS A 30 9.400 -0.373 4.246 1.00 0.00 C ATOM 376 C LYS A 30 9.208 -1.147 5.551 1.00 0.00 C ATOM 377 O LYS A 30 9.525 -0.648 6.630 1.00 0.00 O ATOM 378 CB LYS A 30 10.637 0.528 4.345 1.00 0.00 C ATOM 379 CG LYS A 30 11.912 -0.324 4.376 1.00 0.00 C ATOM 380 CD LYS A 30 13.169 0.542 4.272 1.00 0.00 C ATOM 381 CE LYS A 30 14.399 -0.367 4.201 1.00 0.00 C ATOM 382 NZ LYS A 30 15.622 0.407 3.929 1.00 0.00 N ATOM 0 H LYS A 30 8.500 1.252 3.356 1.00 0.00 H new ATOM 0 HA LYS A 30 9.536 -1.108 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.668 1.211 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.578 1.141 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.942 -0.901 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.893 -1.039 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.117 1.175 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.241 1.205 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.509 -0.907 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.257 -1.114 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.451 -0.216 4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.574 0.806 2.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.705 1.179 4.621 1.00 0.00 H new ATOM 396 N GLY A 31 8.661 -2.352 5.446 1.00 0.00 N ATOM 397 CA GLY A 31 8.406 -3.235 6.560 1.00 0.00 C ATOM 398 C GLY A 31 7.800 -2.582 7.803 1.00 0.00 C ATOM 399 O GLY A 31 8.195 -2.945 8.909 1.00 0.00 O ATOM 0 H GLY A 31 8.376 -2.747 4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.736 -4.027 6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.345 -3.711 6.844 1.00 0.00 H new ATOM 403 N GLN A 32 6.826 -1.667 7.660 1.00 0.00 N ATOM 404 CA GLN A 32 6.216 -1.063 8.859 1.00 0.00 C ATOM 405 C GLN A 32 5.598 -2.151 9.757 1.00 0.00 C ATOM 406 O GLN A 32 5.678 -2.087 10.981 1.00 0.00 O ATOM 407 CB GLN A 32 5.343 0.182 8.590 1.00 0.00 C ATOM 408 CG GLN A 32 4.198 -0.054 7.617 1.00 0.00 C ATOM 409 CD GLN A 32 3.288 1.152 7.359 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.113 1.100 7.706 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.778 2.213 6.719 1.00 0.00 N ATOM 0 H GLN A 32 6.456 -1.339 6.768 1.00 0.00 H new ATOM 0 HA GLN A 32 7.018 -0.614 9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.933 0.535 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.977 0.978 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.616 -0.381 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.587 -0.873 7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.759 2.232 6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.172 3.006 6.507 1.00 0.00 H new ATOM 420 N GLY A 33 5.034 -3.171 9.115 1.00 0.00 N ATOM 421 CA GLY A 33 4.586 -4.429 9.715 1.00 0.00 C ATOM 422 C GLY A 33 3.437 -5.051 8.924 1.00 0.00 C ATOM 423 O GLY A 33 2.536 -4.332 8.532 1.00 0.00 O ATOM 0 H GLY A 33 4.868 -3.143 8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.420 -5.130 9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.267 -4.250 10.742 1.00 0.00 H new ATOM 427 N ALA A 34 3.430 -6.360 8.650 1.00 0.00 N ATOM 428 CA ALA A 34 2.364 -6.998 7.870 1.00 0.00 C ATOM 429 C ALA A 34 0.974 -6.675 8.413 1.00 0.00 C ATOM 430 O ALA A 34 0.045 -6.518 7.630 1.00 0.00 O ATOM 431 CB ALA A 34 2.553 -8.517 7.773 1.00 0.00 C ATOM 0 H ALA A 34 4.158 -7.003 8.960 1.00 0.00 H new ATOM 0 HA ALA A 34 2.438 -6.579 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.741 -8.948 7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.505 -8.735 7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.547 -8.949 8.774 1.00 0.00 H new ATOM 437 N GLU A 35 0.817 -6.578 9.735 1.00 0.00 N ATOM 438 CA GLU A 35 -0.450 -6.205 10.341 1.00 0.00 C ATOM 439 C GLU A 35 -0.817 -4.781 9.911 1.00 0.00 C ATOM 440 O GLU A 35 -1.888 -4.548 9.353 1.00 0.00 O ATOM 441 CB GLU A 35 -0.320 -6.310 11.863 1.00 0.00 C ATOM 442 CG GLU A 35 -0.203 -7.772 12.313 1.00 0.00 C ATOM 443 CD GLU A 35 -0.061 -7.870 13.828 1.00 0.00 C ATOM 444 OE1 GLU A 35 -1.116 -7.917 14.496 1.00 0.00 O ATOM 445 OE2 GLU A 35 1.102 -7.886 14.287 1.00 0.00 O ATOM 0 H GLU A 35 1.564 -6.756 10.407 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.245 -6.875 10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.557 -5.754 12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.187 -5.850 12.337 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.084 -8.327 11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.659 -8.236 11.833 1.00 0.00 H new ATOM 452 N GLU A 36 0.101 -3.845 10.171 1.00 0.00 N ATOM 453 CA GLU A 36 -0.001 -2.430 9.833 1.00 0.00 C ATOM 454 C GLU A 36 -0.411 -2.301 8.369 1.00 0.00 C ATOM 455 O GLU A 36 -1.459 -1.759 8.026 1.00 0.00 O ATOM 456 CB GLU A 36 1.377 -1.764 10.043 1.00 0.00 C ATOM 457 CG GLU A 36 1.729 -1.463 11.500 1.00 0.00 C ATOM 458 CD GLU A 36 1.699 -2.682 12.419 1.00 0.00 C ATOM 459 OE1 GLU A 36 2.174 -3.750 11.971 1.00 0.00 O ATOM 460 OE2 GLU A 36 1.187 -2.531 13.549 1.00 0.00 O ATOM 0 H GLU A 36 0.976 -4.069 10.646 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.743 -1.944 10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.146 -2.414 9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.404 -0.833 9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.724 -1.019 11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.033 -0.717 11.883 1.00 0.00 H new ATOM 467 N LEU A 37 0.455 -2.835 7.518 1.00 0.00 N ATOM 468 CA LEU A 37 0.358 -2.873 6.096 1.00 0.00 C ATOM 469 C LEU A 37 -0.969 -3.480 5.663 1.00 0.00 C ATOM 470 O LEU A 37 -1.650 -2.884 4.843 1.00 0.00 O ATOM 471 CB LEU A 37 1.560 -3.699 5.643 1.00 0.00 C ATOM 472 CG LEU A 37 2.908 -2.968 5.784 1.00 0.00 C ATOM 473 CD1 LEU A 37 4.053 -3.955 5.563 1.00 0.00 C ATOM 474 CD2 LEU A 37 3.047 -1.834 4.768 1.00 0.00 C ATOM 0 H LEU A 37 1.308 -3.285 7.850 1.00 0.00 H new ATOM 0 HA LEU A 37 0.376 -1.881 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.595 -4.621 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.420 -3.985 4.600 1.00 0.00 H new ATOM 0 HG LEU A 37 2.947 -2.546 6.788 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.006 -3.435 5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.995 -4.752 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.977 -4.383 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.011 -1.343 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.982 -2.240 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.247 -1.109 4.920 1.00 0.00 H new ATOM 486 N TYR A 38 -1.362 -4.642 6.188 1.00 0.00 N ATOM 487 CA TYR A 38 -2.623 -5.256 5.808 1.00 0.00 C ATOM 488 C TYR A 38 -3.790 -4.343 6.140 1.00 0.00 C ATOM 489 O TYR A 38 -4.656 -4.123 5.301 1.00 0.00 O ATOM 490 CB TYR A 38 -2.806 -6.647 6.425 1.00 0.00 C ATOM 491 CG TYR A 38 -4.106 -7.331 6.027 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.461 -7.468 4.668 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.963 -7.838 7.021 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.653 -8.123 4.309 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.147 -8.503 6.659 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.485 -8.661 5.305 1.00 0.00 C ATOM 497 OH TYR A 38 -7.620 -9.342 4.978 1.00 0.00 O ATOM 0 H TYR A 38 -0.823 -5.170 6.874 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.598 -5.398 4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.969 -7.279 6.128 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.770 -6.560 7.511 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.815 -7.068 3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.711 -7.716 8.064 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.928 -8.212 3.269 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.800 -8.894 7.425 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.523 -9.728 4.082 1.00 0.00 H new ATOM 507 N LYS A 39 -3.810 -3.799 7.351 1.00 0.00 N ATOM 508 CA LYS A 39 -4.892 -2.942 7.793 1.00 0.00 C ATOM 509 C LYS A 39 -5.024 -1.706 6.915 1.00 0.00 C ATOM 510 O LYS A 39 -6.103 -1.400 6.422 1.00 0.00 O ATOM 511 CB LYS A 39 -4.621 -2.551 9.247 1.00 0.00 C ATOM 512 CG LYS A 39 -5.864 -2.012 9.956 1.00 0.00 C ATOM 513 CD LYS A 39 -5.489 -1.739 11.417 1.00 0.00 C ATOM 514 CE LYS A 39 -6.685 -1.242 12.238 1.00 0.00 C ATOM 515 NZ LYS A 39 -7.193 0.052 11.748 1.00 0.00 N ATOM 0 H LYS A 39 -3.079 -3.941 8.048 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.837 -3.480 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.247 -3.420 9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.836 -1.796 9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.213 -1.099 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.679 -2.733 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.096 -2.651 11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.692 -0.997 11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.484 -1.983 12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.391 -1.144 13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.945 0.392 12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.417 0.745 11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.576 -0.066 10.788 1.00 0.00 H new ATOM 529 N LYS A 40 -3.926 -0.982 6.735 1.00 0.00 N ATOM 530 CA LYS A 40 -3.887 0.240 5.969 1.00 0.00 C ATOM 531 C LYS A 40 -4.117 -0.040 4.482 1.00 0.00 C ATOM 532 O LYS A 40 -4.855 0.697 3.834 1.00 0.00 O ATOM 533 CB LYS A 40 -2.506 0.836 6.241 1.00 0.00 C ATOM 534 CG LYS A 40 -2.255 1.191 7.720 1.00 0.00 C ATOM 535 CD LYS A 40 -2.945 2.497 8.120 1.00 0.00 C ATOM 536 CE LYS A 40 -2.753 2.813 9.608 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.330 2.969 9.958 1.00 0.00 N ATOM 0 H LYS A 40 -3.022 -1.241 7.130 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.676 0.936 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.745 0.127 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.384 1.735 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.616 0.381 8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.183 1.279 7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.547 3.316 7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.010 2.428 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.290 3.728 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.189 2.014 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.234 3.676 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.951 2.057 10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.799 3.284 9.121 1.00 0.00 H new ATOM 551 N MET A 41 -3.516 -1.098 3.928 1.00 0.00 N ATOM 552 CA MET A 41 -3.696 -1.438 2.523 1.00 0.00 C ATOM 553 C MET A 41 -5.141 -1.877 2.277 1.00 0.00 C ATOM 554 O MET A 41 -5.753 -1.448 1.301 1.00 0.00 O ATOM 555 CB MET A 41 -2.609 -2.405 2.011 1.00 0.00 C ATOM 556 CG MET A 41 -2.828 -3.920 2.142 1.00 0.00 C ATOM 557 SD MET A 41 -3.948 -4.597 0.922 1.00 0.00 S ATOM 558 CE MET A 41 -3.132 -4.025 -0.583 1.00 0.00 C ATOM 0 H MET A 41 -2.900 -1.732 4.437 1.00 0.00 H new ATOM 0 HA MET A 41 -3.545 -0.551 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.448 -2.187 0.955 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.683 -2.162 2.531 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.866 -4.425 2.058 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.216 -4.137 3.137 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.233 -4.781 -1.361 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.595 -3.096 -0.917 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.075 -3.851 -0.380 1.00 0.00 H new ATOM 568 N LYS A 42 -5.708 -2.683 3.183 1.00 0.00 N ATOM 569 CA LYS A 42 -7.114 -3.065 3.110 1.00 0.00 C ATOM 570 C LYS A 42 -7.952 -1.793 3.260 1.00 0.00 C ATOM 571 O LYS A 42 -8.944 -1.615 2.564 1.00 0.00 O ATOM 572 CB LYS A 42 -7.446 -4.118 4.175 1.00 0.00 C ATOM 573 CG LYS A 42 -8.876 -4.651 4.022 1.00 0.00 C ATOM 574 CD LYS A 42 -9.126 -5.769 5.042 1.00 0.00 C ATOM 575 CE LYS A 42 -10.487 -6.444 4.831 1.00 0.00 C ATOM 576 NZ LYS A 42 -11.606 -5.504 5.022 1.00 0.00 N ATOM 0 H LYS A 42 -5.207 -3.082 3.977 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.342 -3.528 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.740 -4.945 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.324 -3.683 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.593 -3.843 4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.027 -5.029 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.335 -6.515 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.078 -5.358 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.532 -6.862 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.590 -7.277 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.508 -6.012 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.550 -5.086 5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.551 -4.750 4.308 1.00 0.00 H new ATOM 590 N GLY A 43 -7.526 -0.910 4.164 1.00 0.00 N ATOM 591 CA GLY A 43 -8.031 0.424 4.398 1.00 0.00 C ATOM 592 C GLY A 43 -8.268 1.137 3.071 1.00 0.00 C ATOM 593 O GLY A 43 -9.395 1.477 2.703 1.00 0.00 O ATOM 0 H GLY A 43 -6.758 -1.137 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.961 0.375 4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.321 0.989 5.001 1.00 0.00 H new ATOM 597 N TYR A 44 -7.159 1.334 2.359 1.00 0.00 N ATOM 598 CA TYR A 44 -7.128 1.998 1.074 1.00 0.00 C ATOM 599 C TYR A 44 -7.990 1.242 0.068 1.00 0.00 C ATOM 600 O TYR A 44 -8.833 1.853 -0.581 1.00 0.00 O ATOM 601 CB TYR A 44 -5.674 2.167 0.600 1.00 0.00 C ATOM 602 CG TYR A 44 -4.865 3.184 1.387 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.354 4.494 1.527 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.608 2.855 1.932 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.696 5.405 2.366 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.892 3.810 2.678 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.465 5.064 2.942 1.00 0.00 C ATOM 608 OH TYR A 44 -2.793 5.991 3.679 1.00 0.00 O ATOM 0 H TYR A 44 -6.240 1.026 2.675 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.552 2.998 1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.173 1.201 0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.680 2.461 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.238 4.800 0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.194 1.870 1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.138 6.369 2.568 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.904 3.578 3.047 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.211 5.537 4.323 1.00 0.00 H new ATOM 618 N ALA A 45 -7.805 -0.074 -0.050 1.00 0.00 N ATOM 619 CA ALA A 45 -8.552 -0.908 -0.982 1.00 0.00 C ATOM 620 C ALA A 45 -10.057 -0.817 -0.753 1.00 0.00 C ATOM 621 O ALA A 45 -10.824 -0.844 -1.712 1.00 0.00 O ATOM 622 CB ALA A 45 -8.069 -2.355 -0.885 1.00 0.00 C ATOM 0 H ALA A 45 -7.125 -0.592 0.506 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.365 -0.537 -1.990 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.631 -2.974 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.008 -2.402 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.223 -2.723 0.130 1.00 0.00 H new ATOM 628 N ASP A 46 -10.490 -0.724 0.506 1.00 0.00 N ATOM 629 CA ASP A 46 -11.898 -0.592 0.828 1.00 0.00 C ATOM 630 C ASP A 46 -12.346 0.817 0.449 1.00 0.00 C ATOM 631 O ASP A 46 -13.394 0.994 -0.168 1.00 0.00 O ATOM 632 CB ASP A 46 -12.110 -0.887 2.314 1.00 0.00 C ATOM 633 CG ASP A 46 -13.574 -0.730 2.699 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.360 -1.630 2.334 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.874 0.285 3.362 1.00 0.00 O ATOM 0 H ASP A 46 -9.874 -0.739 1.319 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.500 -1.307 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.778 -1.901 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.499 -0.212 2.913 1.00 0.00 H new ATOM 640 N GLY A 47 -11.534 1.814 0.813 1.00 0.00 N ATOM 641 CA GLY A 47 -11.780 3.217 0.517 1.00 0.00 C ATOM 642 C GLY A 47 -12.184 3.998 1.763 1.00 0.00 C ATOM 643 O GLY A 47 -12.322 5.216 1.700 1.00 0.00 O ATOM 0 H GLY A 47 -10.670 1.658 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.882 3.660 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.567 3.297 -0.233 1.00 0.00 H new ATOM 647 N SER A 48 -12.374 3.316 2.896 1.00 0.00 N ATOM 648 CA SER A 48 -12.696 3.934 4.161 1.00 0.00 C ATOM 649 C SER A 48 -11.466 4.716 4.605 1.00 0.00 C ATOM 650 O SER A 48 -11.494 5.935 4.764 1.00 0.00 O ATOM 651 CB SER A 48 -13.011 2.798 5.134 1.00 0.00 C ATOM 652 OG SER A 48 -12.154 1.694 4.883 1.00 0.00 O ATOM 0 H SER A 48 -12.304 2.300 2.948 1.00 0.00 H new ATOM 0 HA SER A 48 -13.547 4.613 4.107 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.884 3.142 6.161 1.00 0.00 H new ATOM 0 HB3 SER A 48 -14.052 2.493 5.026 1.00 0.00 H new ATOM 0 HG SER A 48 -12.675 0.955 4.504 1.00 0.00 H new ATOM 658 N TYR A 49 -10.368 3.985 4.794 1.00 0.00 N ATOM 659 CA TYR A 49 -9.089 4.570 5.138 1.00 0.00 C ATOM 660 C TYR A 49 -8.513 5.187 3.860 1.00 0.00 C ATOM 661 O TYR A 49 -7.612 4.618 3.258 1.00 0.00 O ATOM 662 CB TYR A 49 -8.171 3.492 5.737 1.00 0.00 C ATOM 663 CG TYR A 49 -6.940 4.039 6.401 1.00 0.00 C ATOM 664 CD1 TYR A 49 -7.007 4.495 7.725 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.725 4.087 5.697 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.872 5.056 8.323 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.601 4.677 6.286 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.686 5.215 7.583 1.00 0.00 C ATOM 669 OH TYR A 49 -3.609 5.820 8.157 1.00 0.00 O ATOM 0 H TYR A 49 -10.349 2.969 4.711 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.189 5.349 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.737 2.911 6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.870 2.805 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.929 4.414 8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.659 3.669 4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.907 5.368 9.356 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.668 4.719 5.744 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.983 6.104 7.459 1.00 0.00 H new ATOM 679 N GLY A 50 -9.046 6.326 3.414 1.00 0.00 N ATOM 680 CA GLY A 50 -8.588 6.978 2.196 1.00 0.00 C ATOM 681 C GLY A 50 -9.249 8.343 2.020 1.00 0.00 C ATOM 682 O GLY A 50 -10.009 8.779 2.882 1.00 0.00 O ATOM 0 H GLY A 50 -9.804 6.817 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.505 7.097 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.814 6.348 1.336 1.00 0.00 H new ATOM 686 N GLY A 51 -8.947 9.017 0.904 1.00 0.00 N ATOM 687 CA GLY A 51 -9.461 10.337 0.568 1.00 0.00 C ATOM 688 C GLY A 51 -8.389 11.180 -0.128 1.00 0.00 C ATOM 689 O GLY A 51 -7.201 10.870 -0.054 1.00 0.00 O ATOM 0 H GLY A 51 -8.319 8.642 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.330 10.238 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.796 10.843 1.474 1.00 0.00 H new ATOM 693 N GLU A 52 -8.813 12.252 -0.804 1.00 0.00 N ATOM 694 CA GLU A 52 -7.980 13.197 -1.529 1.00 0.00 C ATOM 695 C GLU A 52 -6.885 12.472 -2.325 1.00 0.00 C ATOM 696 O GLU A 52 -7.184 11.639 -3.177 1.00 0.00 O ATOM 697 CB GLU A 52 -7.484 14.269 -0.540 1.00 0.00 C ATOM 698 CG GLU A 52 -6.913 15.515 -1.233 1.00 0.00 C ATOM 699 CD GLU A 52 -6.286 16.463 -0.217 1.00 0.00 C ATOM 700 OE1 GLU A 52 -5.257 16.057 0.366 1.00 0.00 O ATOM 701 OE2 GLU A 52 -6.843 17.566 -0.037 1.00 0.00 O ATOM 0 H GLU A 52 -9.803 12.491 -0.859 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.549 13.722 -2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.309 14.567 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.717 13.835 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.165 15.217 -1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.706 16.030 -1.776 1.00 0.00 H new ATOM 708 N ARG A 53 -5.619 12.742 -2.013 1.00 0.00 N ATOM 709 CA ARG A 53 -4.467 12.170 -2.702 1.00 0.00 C ATOM 710 C ARG A 53 -4.470 10.645 -2.645 1.00 0.00 C ATOM 711 O ARG A 53 -4.027 9.973 -3.575 1.00 0.00 O ATOM 712 CB ARG A 53 -3.177 12.750 -2.106 1.00 0.00 C ATOM 713 CG ARG A 53 -2.862 12.239 -0.687 1.00 0.00 C ATOM 714 CD ARG A 53 -1.882 13.195 0.000 1.00 0.00 C ATOM 715 NE ARG A 53 -2.527 14.476 0.323 1.00 0.00 N ATOM 716 CZ ARG A 53 -1.893 15.603 0.678 1.00 0.00 C ATOM 717 NH1 ARG A 53 -0.558 15.662 0.735 1.00 0.00 N ATOM 718 NH2 ARG A 53 -2.620 16.683 0.976 1.00 0.00 N ATOM 0 H ARG A 53 -5.361 13.378 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.525 12.439 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.343 12.506 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.256 13.837 -2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.780 12.164 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.434 11.238 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.502 12.736 0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.025 13.370 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.545 14.511 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.001 14.839 0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.097 16.530 1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.638 16.641 0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.157 17.550 1.248 1.00 0.00 H new ATOM 732 N LYS A 54 -4.988 10.103 -1.543 1.00 0.00 N ATOM 733 CA LYS A 54 -5.034 8.680 -1.286 1.00 0.00 C ATOM 734 C LYS A 54 -6.092 8.003 -2.154 1.00 0.00 C ATOM 735 O LYS A 54 -6.104 6.784 -2.252 1.00 0.00 O ATOM 736 CB LYS A 54 -5.268 8.435 0.212 1.00 0.00 C ATOM 737 CG LYS A 54 -4.490 9.450 1.060 1.00 0.00 C ATOM 738 CD LYS A 54 -4.230 8.940 2.479 1.00 0.00 C ATOM 739 CE LYS A 54 -3.573 10.015 3.351 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.357 9.521 4.724 1.00 0.00 N ATOM 0 H LYS A 54 -5.394 10.662 -0.792 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.077 8.232 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.332 8.509 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.957 7.423 0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.539 9.672 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.049 10.385 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.171 8.627 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.588 8.060 2.439 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.620 10.312 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.203 10.904 3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.722 10.170 5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.269 9.470 5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.928 8.574 4.689 1.00 0.00 H new ATOM 754 N ALA A 55 -6.976 8.776 -2.791 1.00 0.00 N ATOM 755 CA ALA A 55 -8.013 8.234 -3.665 1.00 0.00 C ATOM 756 C ALA A 55 -7.411 7.383 -4.791 1.00 0.00 C ATOM 757 O ALA A 55 -7.921 6.306 -5.102 1.00 0.00 O ATOM 758 CB ALA A 55 -8.873 9.362 -4.240 1.00 0.00 C ATOM 0 H ALA A 55 -6.991 9.793 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.648 7.583 -3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.640 8.940 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.347 9.909 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.245 10.041 -4.816 1.00 0.00 H new ATOM 764 N MET A 56 -6.321 7.865 -5.398 1.00 0.00 N ATOM 765 CA MET A 56 -5.629 7.168 -6.472 1.00 0.00 C ATOM 766 C MET A 56 -5.184 5.789 -5.981 1.00 0.00 C ATOM 767 O MET A 56 -5.536 4.760 -6.557 1.00 0.00 O ATOM 768 CB MET A 56 -4.426 8.011 -6.913 1.00 0.00 C ATOM 769 CG MET A 56 -4.854 9.326 -7.577 1.00 0.00 C ATOM 770 SD MET A 56 -3.492 10.375 -8.151 1.00 0.00 S ATOM 771 CE MET A 56 -2.847 10.969 -6.571 1.00 0.00 C ATOM 0 H MET A 56 -5.896 8.758 -5.151 1.00 0.00 H new ATOM 0 HA MET A 56 -6.292 7.027 -7.325 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.800 8.229 -6.048 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.817 7.435 -7.610 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.496 9.094 -8.426 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.456 9.894 -6.868 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.070 11.712 -6.751 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.655 11.421 -5.995 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.426 10.133 -6.012 1.00 0.00 H new ATOM 781 N MET A 57 -4.418 5.792 -4.888 1.00 0.00 N ATOM 782 CA MET A 57 -3.925 4.601 -4.221 1.00 0.00 C ATOM 783 C MET A 57 -5.100 3.673 -3.924 1.00 0.00 C ATOM 784 O MET A 57 -5.053 2.500 -4.277 1.00 0.00 O ATOM 785 CB MET A 57 -3.192 5.032 -2.949 1.00 0.00 C ATOM 786 CG MET A 57 -2.738 3.857 -2.076 1.00 0.00 C ATOM 787 SD MET A 57 -1.756 4.329 -0.627 1.00 0.00 S ATOM 788 CE MET A 57 -2.516 5.889 -0.136 1.00 0.00 C ATOM 0 H MET A 57 -4.118 6.655 -4.434 1.00 0.00 H new ATOM 0 HA MET A 57 -3.225 4.052 -4.850 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.321 5.627 -3.225 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.846 5.678 -2.363 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.619 3.310 -1.739 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.152 3.172 -2.688 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.182 6.157 0.866 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.225 6.672 -0.837 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.601 5.783 -0.141 1.00 0.00 H new ATOM 798 N THR A 58 -6.147 4.206 -3.290 1.00 0.00 N ATOM 799 CA THR A 58 -7.371 3.484 -2.981 1.00 0.00 C ATOM 800 C THR A 58 -7.859 2.740 -4.216 1.00 0.00 C ATOM 801 O THR A 58 -7.984 1.520 -4.172 1.00 0.00 O ATOM 802 CB THR A 58 -8.432 4.438 -2.393 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.260 4.521 -0.996 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.891 4.049 -2.671 1.00 0.00 C ATOM 0 H THR A 58 -6.162 5.175 -2.972 1.00 0.00 H new ATOM 0 HA THR A 58 -7.172 2.736 -2.213 1.00 0.00 H new ATOM 0 HB THR A 58 -8.267 5.391 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.498 3.664 -0.586 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.556 4.783 -2.216 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.062 4.023 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.092 3.065 -2.248 1.00 0.00 H new ATOM 812 N ASN A 59 -8.109 3.440 -5.327 1.00 0.00 N ATOM 813 CA ASN A 59 -8.606 2.747 -6.507 1.00 0.00 C ATOM 814 C ASN A 59 -7.585 1.728 -7.008 1.00 0.00 C ATOM 815 O ASN A 59 -7.980 0.656 -7.457 1.00 0.00 O ATOM 816 CB ASN A 59 -9.024 3.705 -7.623 1.00 0.00 C ATOM 817 CG ASN A 59 -10.067 3.093 -8.571 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.828 3.833 -9.184 1.00 0.00 O ATOM 819 ND2 ASN A 59 -10.169 1.768 -8.710 1.00 0.00 N ATOM 0 H ASN A 59 -7.980 4.447 -5.429 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.507 2.214 -6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.430 4.615 -7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.143 3.994 -8.197 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.880 1.373 -9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.536 1.152 -8.200 1.00 0.00 H new ATOM 826 N ALA A 60 -6.289 2.042 -6.948 1.00 0.00 N ATOM 827 CA ALA A 60 -5.261 1.104 -7.377 1.00 0.00 C ATOM 828 C ALA A 60 -5.356 -0.199 -6.572 1.00 0.00 C ATOM 829 O ALA A 60 -5.627 -1.256 -7.140 1.00 0.00 O ATOM 830 CB ALA A 60 -3.874 1.750 -7.293 1.00 0.00 C ATOM 0 H ALA A 60 -5.932 2.935 -6.608 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.425 0.845 -8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.119 1.034 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.842 2.628 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.673 2.048 -6.264 1.00 0.00 H new ATOM 836 N VAL A 61 -5.168 -0.138 -5.248 1.00 0.00 N ATOM 837 CA VAL A 61 -5.231 -1.339 -4.422 1.00 0.00 C ATOM 838 C VAL A 61 -6.624 -1.979 -4.442 1.00 0.00 C ATOM 839 O VAL A 61 -6.723 -3.193 -4.301 1.00 0.00 O ATOM 840 CB VAL A 61 -4.718 -1.111 -2.989 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.200 -0.921 -2.957 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.362 0.064 -2.253 1.00 0.00 C ATOM 0 H VAL A 61 -4.973 0.722 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.544 -2.054 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.008 -2.021 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.875 -0.763 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.714 -1.810 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.929 -0.055 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.936 0.144 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.173 0.986 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.437 -0.099 -2.178 1.00 0.00 H new ATOM 852 N LYS A 62 -7.696 -1.206 -4.644 1.00 0.00 N ATOM 853 CA LYS A 62 -9.059 -1.727 -4.724 1.00 0.00 C ATOM 854 C LYS A 62 -9.179 -2.882 -5.725 1.00 0.00 C ATOM 855 O LYS A 62 -10.038 -3.744 -5.553 1.00 0.00 O ATOM 856 CB LYS A 62 -10.031 -0.579 -5.036 1.00 0.00 C ATOM 857 CG LYS A 62 -11.468 -1.031 -5.318 1.00 0.00 C ATOM 858 CD LYS A 62 -12.443 0.152 -5.452 1.00 0.00 C ATOM 859 CE LYS A 62 -12.637 0.985 -4.174 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.096 0.167 -3.037 1.00 0.00 N ATOM 0 H LYS A 62 -7.639 -0.194 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.327 -2.150 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.039 0.114 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.659 -0.028 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.487 -1.619 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.804 -1.685 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.086 0.809 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.413 -0.231 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.697 1.470 -3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.362 1.776 -4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.500 0.786 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.821 -0.504 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.291 -0.359 -2.640 1.00 0.00 H new ATOM 874 N LYS A 63 -8.347 -2.917 -6.773 1.00 0.00 N ATOM 875 CA LYS A 63 -8.407 -4.014 -7.731 1.00 0.00 C ATOM 876 C LYS A 63 -8.054 -5.367 -7.079 1.00 0.00 C ATOM 877 O LYS A 63 -8.513 -6.412 -7.535 1.00 0.00 O ATOM 878 CB LYS A 63 -7.463 -3.760 -8.916 1.00 0.00 C ATOM 879 CG LYS A 63 -8.111 -2.951 -10.045 1.00 0.00 C ATOM 880 CD LYS A 63 -8.496 -1.536 -9.604 1.00 0.00 C ATOM 881 CE LYS A 63 -8.805 -0.661 -10.826 1.00 0.00 C ATOM 882 NZ LYS A 63 -10.013 -1.118 -11.535 1.00 0.00 N ATOM 0 H LYS A 63 -7.639 -2.210 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.435 -4.062 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.579 -3.231 -8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.124 -4.717 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.421 -2.891 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.000 -3.473 -10.398 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.366 -1.576 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.683 -1.094 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.939 0.373 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.955 -0.677 -11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.189 -0.502 -12.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.875 -2.096 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.829 -1.079 -10.891 1.00 0.00 H new ATOM 896 N ALA A 64 -7.197 -5.361 -6.053 1.00 0.00 N ATOM 897 CA ALA A 64 -6.708 -6.551 -5.370 1.00 0.00 C ATOM 898 C ALA A 64 -7.784 -7.154 -4.459 1.00 0.00 C ATOM 899 O ALA A 64 -8.359 -6.457 -3.626 1.00 0.00 O ATOM 900 CB ALA A 64 -5.473 -6.144 -4.557 1.00 0.00 C ATOM 0 H ALA A 64 -6.816 -4.497 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.450 -7.318 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.080 -7.014 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.709 -5.750 -5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.750 -5.378 -3.833 1.00 0.00 H new ATOM 906 N SER A 65 -8.032 -8.460 -4.598 1.00 0.00 N ATOM 907 CA SER A 65 -8.948 -9.213 -3.736 1.00 0.00 C ATOM 908 C SER A 65 -8.175 -9.690 -2.500 1.00 0.00 C ATOM 909 O SER A 65 -6.963 -9.519 -2.441 1.00 0.00 O ATOM 910 CB SER A 65 -9.585 -10.391 -4.488 1.00 0.00 C ATOM 911 OG SER A 65 -9.861 -10.046 -5.830 1.00 0.00 O ATOM 0 H SER A 65 -7.596 -9.031 -5.322 1.00 0.00 H new ATOM 0 HA SER A 65 -9.767 -8.565 -3.424 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.914 -11.250 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.507 -10.690 -3.989 1.00 0.00 H new ATOM 0 HG SER A 65 -9.037 -10.101 -6.358 1.00 0.00 H new ATOM 917 N ASP A 66 -8.827 -10.330 -1.523 1.00 0.00 N ATOM 918 CA ASP A 66 -8.160 -10.699 -0.273 1.00 0.00 C ATOM 919 C ASP A 66 -6.795 -11.380 -0.426 1.00 0.00 C ATOM 920 O ASP A 66 -5.870 -11.015 0.294 1.00 0.00 O ATOM 921 CB ASP A 66 -9.080 -11.509 0.644 1.00 0.00 C ATOM 922 CG ASP A 66 -8.416 -11.702 2.008 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.164 -10.671 2.672 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.154 -12.874 2.352 1.00 0.00 O ATOM 0 H ASP A 66 -9.809 -10.601 -1.574 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.939 -9.741 0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.034 -10.995 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.295 -12.478 0.194 1.00 0.00 H new ATOM 929 N GLU A 67 -6.650 -12.347 -1.340 1.00 0.00 N ATOM 930 CA GLU A 67 -5.369 -13.031 -1.515 1.00 0.00 C ATOM 931 C GLU A 67 -4.269 -12.022 -1.842 1.00 0.00 C ATOM 932 O GLU A 67 -3.204 -11.999 -1.227 1.00 0.00 O ATOM 933 CB GLU A 67 -5.462 -14.112 -2.604 1.00 0.00 C ATOM 934 CG GLU A 67 -4.309 -15.116 -2.468 1.00 0.00 C ATOM 935 CD GLU A 67 -4.261 -16.084 -3.646 1.00 0.00 C ATOM 936 OE1 GLU A 67 -5.285 -16.762 -3.872 1.00 0.00 O ATOM 937 OE2 GLU A 67 -3.192 -16.132 -4.296 1.00 0.00 O ATOM 0 H GLU A 67 -7.393 -12.668 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.116 -13.527 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.416 -14.633 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.432 -13.647 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.364 -14.577 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.423 -15.677 -1.540 1.00 0.00 H new ATOM 944 N GLU A 68 -4.550 -11.197 -2.843 1.00 0.00 N ATOM 945 CA GLU A 68 -3.712 -10.157 -3.348 1.00 0.00 C ATOM 946 C GLU A 68 -3.396 -9.158 -2.235 1.00 0.00 C ATOM 947 O GLU A 68 -2.233 -8.858 -1.990 1.00 0.00 O ATOM 948 CB GLU A 68 -4.514 -9.532 -4.485 1.00 0.00 C ATOM 949 CG GLU A 68 -4.855 -10.502 -5.622 1.00 0.00 C ATOM 950 CD GLU A 68 -6.296 -10.986 -5.552 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.572 -11.821 -4.666 1.00 0.00 O ATOM 952 OE2 GLU A 68 -7.115 -10.454 -6.334 1.00 0.00 O ATOM 0 H GLU A 68 -5.435 -11.255 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.747 -10.514 -3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.440 -9.125 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.950 -8.694 -4.895 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.685 -10.011 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.183 -11.359 -5.580 1.00 0.00 H new ATOM 959 N LEU A 69 -4.430 -8.656 -1.557 1.00 0.00 N ATOM 960 CA LEU A 69 -4.290 -7.709 -0.458 1.00 0.00 C ATOM 961 C LEU A 69 -3.328 -8.276 0.602 1.00 0.00 C ATOM 962 O LEU A 69 -2.322 -7.649 0.944 1.00 0.00 O ATOM 963 CB LEU A 69 -5.672 -7.405 0.168 1.00 0.00 C ATOM 964 CG LEU A 69 -6.703 -6.697 -0.738 1.00 0.00 C ATOM 965 CD1 LEU A 69 -8.069 -6.638 -0.042 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.344 -5.258 -1.114 1.00 0.00 C ATOM 0 H LEU A 69 -5.399 -8.901 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.876 -6.777 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.106 -8.345 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.516 -6.788 1.053 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.717 -7.294 -1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.787 -6.137 -0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.415 -7.650 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.977 -6.085 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.125 -4.843 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.256 -4.657 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.395 -5.248 -1.650 1.00 0.00 H new ATOM 978 N LYS A 70 -3.623 -9.483 1.099 1.00 0.00 N ATOM 979 CA LYS A 70 -2.815 -10.172 2.098 1.00 0.00 C ATOM 980 C LYS A 70 -1.373 -10.276 1.611 1.00 0.00 C ATOM 981 O LYS A 70 -0.433 -9.934 2.328 1.00 0.00 O ATOM 982 CB LYS A 70 -3.385 -11.579 2.353 1.00 0.00 C ATOM 983 CG LYS A 70 -4.714 -11.554 3.122 1.00 0.00 C ATOM 984 CD LYS A 70 -4.567 -11.921 4.607 1.00 0.00 C ATOM 985 CE LYS A 70 -3.546 -11.053 5.351 1.00 0.00 C ATOM 986 NZ LYS A 70 -3.603 -11.283 6.805 1.00 0.00 N ATOM 0 H LYS A 70 -4.445 -10.013 0.810 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.838 -9.606 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.533 -12.084 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.657 -12.164 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.152 -10.559 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.411 -12.248 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.537 -11.826 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.271 -12.967 4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.543 -11.274 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.738 -10.001 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.900 -10.681 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.553 -11.049 7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.396 -12.282 7.007 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.203 -10.748 0.378 1.00 0.00 N ATOM 1001 CA ALA A 71 0.110 -10.908 -0.207 1.00 0.00 C ATOM 1002 C ALA A 71 0.833 -9.576 -0.383 1.00 0.00 C ATOM 1003 O ALA A 71 2.056 -9.543 -0.269 1.00 0.00 O ATOM 1004 CB ALA A 71 -0.012 -11.644 -1.539 1.00 0.00 C ATOM 0 H ALA A 71 -1.971 -11.026 -0.233 1.00 0.00 H new ATOM 0 HA ALA A 71 0.715 -11.499 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.977 -11.765 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.457 -12.625 -1.373 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.643 -11.069 -2.216 1.00 0.00 H new ATOM 1010 N LEU A 72 0.118 -8.480 -0.659 1.00 0.00 N ATOM 1011 CA LEU A 72 0.753 -7.196 -0.848 1.00 0.00 C ATOM 1012 C LEU A 72 1.304 -6.783 0.510 1.00 0.00 C ATOM 1013 O LEU A 72 2.469 -6.410 0.615 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.276 -6.245 -1.474 1.00 0.00 C ATOM 1015 CG LEU A 72 0.240 -4.936 -2.099 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.638 -5.039 -2.718 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.743 -4.541 -3.208 1.00 0.00 C ATOM 0 H LEU A 72 -0.898 -8.469 -0.754 1.00 0.00 H new ATOM 0 HA LEU A 72 1.595 -7.199 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.813 -6.795 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.002 -5.984 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 72 0.311 -4.202 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.923 -4.073 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.355 -5.329 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.631 -5.788 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.410 -3.615 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.784 -5.332 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.735 -4.395 -2.780 1.00 0.00 H new ATOM 1029 N ALA A 73 0.488 -6.922 1.560 1.00 0.00 N ATOM 1030 CA ALA A 73 0.931 -6.651 2.918 1.00 0.00 C ATOM 1031 C ALA A 73 2.167 -7.489 3.254 1.00 0.00 C ATOM 1032 O ALA A 73 3.179 -6.946 3.693 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.207 -6.920 3.898 1.00 0.00 C ATOM 0 H ALA A 73 -0.484 -7.222 1.488 1.00 0.00 H new ATOM 0 HA ALA A 73 1.211 -5.601 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.131 -6.715 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.052 -6.274 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.514 -7.963 3.821 1.00 0.00 H new ATOM 1039 N ASP A 74 2.095 -8.809 3.043 1.00 0.00 N ATOM 1040 CA ASP A 74 3.218 -9.702 3.295 1.00 0.00 C ATOM 1041 C ASP A 74 4.473 -9.224 2.560 1.00 0.00 C ATOM 1042 O ASP A 74 5.530 -9.105 3.174 1.00 0.00 O ATOM 1043 CB ASP A 74 2.862 -11.135 2.890 1.00 0.00 C ATOM 1044 CG ASP A 74 3.990 -12.093 3.261 1.00 0.00 C ATOM 1045 OD1 ASP A 74 3.996 -12.534 4.430 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.832 -12.361 2.377 1.00 0.00 O ATOM 0 H ASP A 74 1.260 -9.280 2.695 1.00 0.00 H new ATOM 0 HA ASP A 74 3.432 -9.690 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.940 -11.440 3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.677 -11.180 1.817 1.00 0.00 H new ATOM 1051 N TYR A 75 4.352 -8.938 1.259 1.00 0.00 N ATOM 1052 CA TYR A 75 5.458 -8.462 0.441 1.00 0.00 C ATOM 1053 C TYR A 75 6.067 -7.199 1.058 1.00 0.00 C ATOM 1054 O TYR A 75 7.245 -7.183 1.406 1.00 0.00 O ATOM 1055 CB TYR A 75 4.988 -8.236 -1.002 1.00 0.00 C ATOM 1056 CG TYR A 75 6.097 -7.776 -1.926 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.040 -8.708 -2.397 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.272 -6.406 -2.196 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.150 -8.274 -3.141 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.385 -5.975 -2.938 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.324 -6.905 -3.408 1.00 0.00 C ATOM 1062 OH TYR A 75 9.398 -6.474 -4.126 1.00 0.00 O ATOM 0 H TYR A 75 3.475 -9.033 0.747 1.00 0.00 H new ATOM 0 HA TYR A 75 6.242 -9.218 0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.563 -9.163 -1.388 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.190 -7.494 -1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.910 -9.759 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.552 -5.687 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.869 -8.992 -3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.518 -4.924 -3.147 1.00 0.00 H new ATOM 0 HH TYR A 75 9.361 -5.499 -4.217 1.00 0.00 H new ATOM 1072 N MET A 76 5.269 -6.139 1.211 1.00 0.00 N ATOM 1073 CA MET A 76 5.689 -4.897 1.837 1.00 0.00 C ATOM 1074 C MET A 76 6.279 -5.117 3.237 1.00 0.00 C ATOM 1075 O MET A 76 7.138 -4.354 3.673 1.00 0.00 O ATOM 1076 CB MET A 76 4.481 -3.958 1.865 1.00 0.00 C ATOM 1077 CG MET A 76 4.049 -3.618 0.435 1.00 0.00 C ATOM 1078 SD MET A 76 2.838 -2.283 0.269 1.00 0.00 S ATOM 1079 CE MET A 76 1.408 -3.059 1.056 1.00 0.00 C ATOM 0 H MET A 76 4.299 -6.126 0.896 1.00 0.00 H new ATOM 0 HA MET A 76 6.496 -4.450 1.256 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.657 -4.428 2.401 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.732 -3.045 2.405 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.937 -3.350 -0.138 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.635 -4.517 -0.022 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.492 -2.659 0.622 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.445 -4.137 0.896 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.424 -2.850 2.126 1.00 0.00 H new ATOM 1089 N SER A 77 5.837 -6.158 3.949 1.00 0.00 N ATOM 1090 CA SER A 77 6.370 -6.490 5.263 1.00 0.00 C ATOM 1091 C SER A 77 7.764 -7.123 5.193 1.00 0.00 C ATOM 1092 O SER A 77 8.304 -7.468 6.244 1.00 0.00 O ATOM 1093 CB SER A 77 5.419 -7.419 6.020 1.00 0.00 C ATOM 1094 OG SER A 77 5.773 -7.440 7.394 1.00 0.00 O ATOM 0 H SER A 77 5.103 -6.789 3.628 1.00 0.00 H new ATOM 0 HA SER A 77 6.463 -5.547 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.390 -7.077 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.470 -8.426 5.605 1.00 0.00 H new ATOM 0 HG SER A 77 6.749 -7.442 7.480 1.00 0.00 H new ATOM 1100 N LYS A 78 8.316 -7.336 3.994 1.00 0.00 N ATOM 1101 CA LYS A 78 9.605 -7.964 3.762 1.00 0.00 C ATOM 1102 C LYS A 78 10.274 -7.153 2.653 1.00 0.00 C ATOM 1103 O LYS A 78 10.726 -7.706 1.652 1.00 0.00 O ATOM 1104 CB LYS A 78 9.364 -9.416 3.315 1.00 0.00 C ATOM 1105 CG LYS A 78 8.613 -10.257 4.357 1.00 0.00 C ATOM 1106 CD LYS A 78 8.243 -11.620 3.763 1.00 0.00 C ATOM 1107 CE LYS A 78 7.454 -12.451 4.779 1.00 0.00 C ATOM 1108 NZ LYS A 78 6.931 -13.685 4.168 1.00 0.00 N ATOM 0 H LYS A 78 7.852 -7.061 3.128 1.00 0.00 H new ATOM 0 HA LYS A 78 10.235 -7.984 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.797 -9.413 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.324 -9.887 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.234 -10.393 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.712 -9.734 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.650 -11.481 2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.147 -12.154 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.096 -12.704 5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.628 -11.859 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.445 -14.252 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.261 -13.441 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.718 -14.235 3.769 1.00 0.00 H new ATOM 1122 N LEU A 79 10.301 -5.831 2.823 1.00 0.00 N ATOM 1123 CA LEU A 79 10.722 -4.882 1.834 1.00 0.00 C ATOM 1124 C LEU A 79 11.281 -3.689 2.603 1.00 0.00 C ATOM 1125 O LEU A 79 10.723 -3.434 3.696 1.00 0.00 O ATOM 1126 CB LEU A 79 9.431 -4.522 1.099 1.00 0.00 C ATOM 1127 CG LEU A 79 9.623 -3.487 0.008 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.415 -4.087 -1.158 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.253 -3.002 -0.466 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.236 -3.062 2.095 1.00 0.00 O ATOM 0 H LEU A 79 10.015 -5.390 3.697 1.00 0.00 H new ATOM 0 HA LEU A 79 11.480 -5.232 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.008 -5.426 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.704 -4.147 1.820 1.00 0.00 H new ATOM 0 HG LEU A 79 10.188 -2.642 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.546 -3.334 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.392 -4.416 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.872 -4.939 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.382 -2.257 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.684 -3.845 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.715 -2.557 0.371 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.592 4.239 -0.608 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.111 4.778 2.711 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.383 0.870 -0.037 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.585 3.685 -3.968 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.428 7.611 -1.101 1.00 10.53 C HETATM 1148 NA HEC A 80 0.712 3.070 0.996 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.005 3.466 2.283 1.00 6.23 C HETATM 1150 C2A HEC A 80 1.113 2.324 3.148 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.759 1.244 2.417 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.582 1.699 1.059 1.00 9.92 C HETATM 1153 CMA HEC A 80 0.630 -0.174 2.875 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.520 2.392 4.590 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.388 2.810 5.540 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.823 3.731 6.679 1.00 22.27 C HETATM 1157 O1A HEC A 80 0.086 3.836 7.653 1.00 18.65 O HETATM 1158 O2A HEC A 80 1.879 4.348 6.571 1.00 17.21 O HETATM 1159 NB HEC A 80 0.462 2.608 -1.774 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.352 1.296 -1.358 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.258 0.414 -2.491 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.324 1.188 -3.610 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.455 2.563 -3.154 1.00 4.49 C HETATM 1164 CMB HEC A 80 0.182 -1.086 -2.378 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.349 0.736 -5.057 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.934 0.083 -5.583 1.00 6.48 C HETATM 1167 NC HEC A 80 0.593 5.410 -2.201 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.613 5.007 -3.524 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.743 6.155 -4.388 1.00 5.77 C HETATM 1170 C3C HEC A 80 0.872 7.244 -3.579 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.615 6.792 -2.222 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.835 6.074 -5.891 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.274 8.647 -3.969 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.137 9.466 -4.589 1.00 10.94 C HETATM 1175 ND HEC A 80 0.530 5.848 0.600 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.395 7.165 0.223 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.195 7.988 1.404 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.308 7.175 2.496 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.675 5.871 1.975 1.00 9.05 C HETATM 1180 CMD HEC A 80 -0.139 9.457 1.372 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.030 7.551 3.946 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.334 6.561 5.095 1.00 6.36 C HETATM 1183 CGD HEC A 80 -0.317 7.024 6.389 1.00 6.46 C HETATM 1184 O1D HEC A 80 -1.510 6.776 6.554 1.00 8.25 O HETATM 1185 O2D HEC A 80 0.385 7.614 7.206 1.00 15.15 O HETATM 0 HMD3 HEC A 80 0.656 10.000 0.860 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -1.080 9.605 0.841 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 -0.235 9.831 2.391 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.709 5.485 -6.171 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.064 5.600 -6.285 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 0.927 7.078 -6.305 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 1.074 -1.459 -1.875 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -0.701 -1.363 -1.802 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 0.118 -1.523 -3.374 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 1.589 -0.521 3.259 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.120 -0.235 3.664 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 0.326 -0.801 2.037 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 -0.032 5.568 4.833 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.412 6.477 5.234 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 -0.219 8.969 -5.491 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.682 9.551 -3.874 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.502 10.461 -4.843 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -1.158 -0.806 -4.994 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.761 0.789 -5.503 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.797 -0.198 -6.627 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.388 3.311 4.961 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.061 1.913 5.967 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.590 8.463 4.153 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -1.028 7.804 4.014 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.896 1.416 4.897 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 2.344 3.098 4.691 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.298 8.679 -1.275 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.672 3.516 -5.041 1.00 6.02 H new HETATM 0 HHB HEC A 80 0.241 -0.194 0.154 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.564 4.964 3.685 1.00 5.52 H new