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 59 ASN : amide:sc= 0.368 X(o=0.37,f=-0.036) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0452) USER MOD Set 2.1: A 44 TYR OH : rot 96:sc= 0.743 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 164:sc= 0.746 (180deg=-0.0211) USER MOD Set 2.3: A 57 MET CE :methyl 170:sc= -0.758 (180deg=-1.5) USER MOD Set 3.1: A 41 MET CE :methyl -158:sc= -0.145 (180deg=-1.06) USER MOD Set 3.2: A 76 MET CE :methyl -167:sc= -0.8 (180deg=-1.66) USER MOD Set 4.1: A 8 LYS NZ :NH3+ 161:sc= 1.68 (180deg=0.867) USER MOD Set 4.2: A 9 SER OG : rot 89:sc= 1.58 USER MOD Single : A 1 ALA N :NH3+ -158:sc= 1.1 (180deg=0.764) USER MOD Single : A 7 TYR OH : rot -154:sc= 1.2 USER MOD Single : A 19 SER OG : rot -96:sc= 1.49 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 1 (180deg=0.978) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 27 LYS NZ :NH3+ -122:sc= 0.488 (180deg=0.223) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0.591 (180deg=0.449) USER MOD Single : A 32 GLN : amide:sc= -0.504 K(o=-0.5,f=-3.7!) USER MOD Single : A 38 TYR OH : rot 13:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0.623 (180deg=0.611) USER MOD Single : A 40 LYS NZ :NH3+ 177:sc= 0.511 (180deg=0.502) USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= 0.0361 (180deg=0) USER MOD Single : A 48 SER OG : rot 55:sc= 0.672 USER MOD Single : A 49 TYR OH : rot -166:sc= 1.05 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 56:sc= 0.0981 USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0643) USER MOD Single : A 65 SER OG : rot -0:sc= 0.202 USER MOD Single : A 70 LYS NZ :NH3+ -178:sc= 0.935 (180deg=0.919) USER MOD Single : A 75 TYR OH : rot -52:sc= 0.248 USER MOD Single : A 77 SER OG : rot -46:sc= 0.659 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.939 (180deg=0.932) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.009 -11.180 -9.268 1.00 0.00 N ATOM 2 CA ALA A 1 -0.245 -12.211 -8.548 1.00 0.00 C ATOM 3 C ALA A 1 0.256 -11.642 -7.223 1.00 0.00 C ATOM 4 O ALA A 1 0.454 -10.433 -7.130 1.00 0.00 O ATOM 5 CB ALA A 1 0.923 -12.734 -9.390 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.647 -11.635 -9.952 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.568 -10.625 -8.589 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.353 -10.550 -9.772 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.905 -13.056 -8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.465 -13.494 -8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.540 -13.170 -10.313 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.596 -11.911 -9.630 1.00 0.00 H new ATOM 13 N ASP A 2 0.443 -12.512 -6.233 1.00 0.00 N ATOM 14 CA ASP A 2 0.832 -12.213 -4.862 1.00 0.00 C ATOM 15 C ASP A 2 1.967 -11.189 -4.707 1.00 0.00 C ATOM 16 O ASP A 2 3.122 -11.484 -5.007 1.00 0.00 O ATOM 17 CB ASP A 2 1.216 -13.534 -4.177 1.00 0.00 C ATOM 18 CG ASP A 2 0.038 -14.501 -4.095 1.00 0.00 C ATOM 19 OD1 ASP A 2 -0.369 -14.977 -5.178 1.00 0.00 O ATOM 20 OD2 ASP A 2 -0.438 -14.734 -2.963 1.00 0.00 O ATOM 0 H ASP A 2 0.317 -13.513 -6.381 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.028 -11.738 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.032 -14.003 -4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.585 -13.327 -3.173 1.00 0.00 H new ATOM 25 N GLY A 3 1.637 -9.995 -4.204 1.00 0.00 N ATOM 26 CA GLY A 3 2.571 -8.958 -3.793 1.00 0.00 C ATOM 27 C GLY A 3 3.257 -8.238 -4.950 1.00 0.00 C ATOM 28 O GLY A 3 3.006 -7.067 -5.220 1.00 0.00 O ATOM 0 H GLY A 3 0.664 -9.719 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.038 -8.224 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.333 -9.404 -3.154 1.00 0.00 H new ATOM 32 N ALA A 4 4.131 -8.972 -5.628 1.00 0.00 N ATOM 33 CA ALA A 4 5.050 -8.469 -6.646 1.00 0.00 C ATOM 34 C ALA A 4 4.366 -7.708 -7.785 1.00 0.00 C ATOM 35 O ALA A 4 4.681 -6.545 -8.047 1.00 0.00 O ATOM 36 CB ALA A 4 5.890 -9.630 -7.186 1.00 0.00 C ATOM 0 H ALA A 4 4.224 -9.977 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 4 5.691 -7.733 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.577 -9.259 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.458 -10.078 -6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.233 -10.380 -7.626 1.00 0.00 H new ATOM 42 N ALA A 5 3.436 -8.380 -8.471 1.00 0.00 N ATOM 43 CA ALA A 5 2.737 -7.823 -9.624 1.00 0.00 C ATOM 44 C ALA A 5 2.069 -6.490 -9.292 1.00 0.00 C ATOM 45 O ALA A 5 1.990 -5.610 -10.142 1.00 0.00 O ATOM 46 CB ALA A 5 1.712 -8.828 -10.142 1.00 0.00 C ATOM 0 H ALA A 5 3.148 -9.330 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 5 3.472 -7.627 -10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.193 -8.407 -11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.220 -9.746 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.990 -9.050 -9.356 1.00 0.00 H new ATOM 52 N LEU A 6 1.557 -6.351 -8.071 1.00 0.00 N ATOM 53 CA LEU A 6 0.966 -5.116 -7.610 1.00 0.00 C ATOM 54 C LEU A 6 2.093 -4.117 -7.338 1.00 0.00 C ATOM 55 O LEU A 6 2.125 -3.028 -7.919 1.00 0.00 O ATOM 56 CB LEU A 6 0.161 -5.386 -6.337 1.00 0.00 C ATOM 57 CG LEU A 6 -1.141 -6.161 -6.577 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.941 -7.631 -6.960 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.967 -6.114 -5.290 1.00 0.00 C ATOM 0 H LEU A 6 1.545 -7.100 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 6 0.292 -4.704 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.782 -5.946 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.076 -4.435 -5.861 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.637 -5.683 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.912 -8.103 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.361 -7.691 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.408 -8.146 -6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.899 -6.659 -5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.402 -6.572 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.189 -5.077 -5.038 1.00 0.00 H new ATOM 71 N TYR A 7 3.029 -4.515 -6.466 1.00 0.00 N ATOM 72 CA TYR A 7 4.121 -3.682 -5.989 1.00 0.00 C ATOM 73 C TYR A 7 4.869 -2.952 -7.100 1.00 0.00 C ATOM 74 O TYR A 7 5.188 -1.777 -6.932 1.00 0.00 O ATOM 75 CB TYR A 7 5.096 -4.459 -5.100 1.00 0.00 C ATOM 76 CG TYR A 7 5.989 -3.524 -4.304 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.438 -2.818 -3.219 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.283 -3.200 -4.756 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.197 -1.848 -2.546 1.00 0.00 C ATOM 80 CE2 TYR A 7 8.043 -2.227 -4.081 1.00 0.00 C ATOM 81 CZ TYR A 7 7.499 -1.553 -2.973 1.00 0.00 C ATOM 82 OH TYR A 7 8.206 -0.587 -2.325 1.00 0.00 O ATOM 0 H TYR A 7 3.040 -5.454 -6.067 1.00 0.00 H new ATOM 0 HA TYR A 7 3.641 -2.914 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.537 -5.099 -4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.711 -5.113 -5.718 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.426 -3.023 -2.902 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.692 -3.699 -5.622 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.777 -1.328 -1.698 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.044 -1.998 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 7 8.875 -0.208 -2.933 1.00 0.00 H new ATOM 92 N LYS A 8 5.137 -3.608 -8.235 1.00 0.00 N ATOM 93 CA LYS A 8 5.848 -2.960 -9.335 1.00 0.00 C ATOM 94 C LYS A 8 5.247 -1.590 -9.700 1.00 0.00 C ATOM 95 O LYS A 8 5.969 -0.680 -10.095 1.00 0.00 O ATOM 96 CB LYS A 8 5.947 -3.914 -10.531 1.00 0.00 C ATOM 97 CG LYS A 8 4.589 -4.225 -11.172 1.00 0.00 C ATOM 98 CD LYS A 8 4.353 -3.391 -12.442 1.00 0.00 C ATOM 99 CE LYS A 8 3.090 -3.830 -13.191 1.00 0.00 C ATOM 100 NZ LYS A 8 1.883 -3.734 -12.351 1.00 0.00 N ATOM 0 H LYS A 8 4.874 -4.577 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 8 6.863 -2.740 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.604 -3.477 -11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.410 -4.846 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.538 -5.285 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.794 -4.026 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.268 -2.338 -12.174 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.216 -3.483 -13.102 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.963 -3.211 -14.079 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.211 -4.858 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.038 -3.723 -12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.839 -4.553 -11.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.919 -2.858 -11.791 1.00 0.00 H new ATOM 114 N SER A 9 3.929 -1.434 -9.542 1.00 0.00 N ATOM 115 CA SER A 9 3.216 -0.186 -9.781 1.00 0.00 C ATOM 116 C SER A 9 3.501 0.811 -8.650 1.00 0.00 C ATOM 117 O SER A 9 3.753 1.996 -8.856 1.00 0.00 O ATOM 118 CB SER A 9 1.706 -0.488 -9.806 1.00 0.00 C ATOM 119 OG SER A 9 1.448 -1.782 -10.320 1.00 0.00 O ATOM 0 H SER A 9 3.319 -2.192 -9.237 1.00 0.00 H new ATOM 0 HA SER A 9 3.543 0.245 -10.727 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.300 -0.408 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.194 0.256 -10.416 1.00 0.00 H new ATOM 0 HG SER A 9 1.467 -2.434 -9.589 1.00 0.00 H new ATOM 125 N CYS A 10 3.437 0.275 -7.434 1.00 0.00 N ATOM 126 CA CYS A 10 3.551 0.919 -6.136 1.00 0.00 C ATOM 127 C CYS A 10 4.884 1.640 -6.002 1.00 0.00 C ATOM 128 O CYS A 10 4.971 2.705 -5.384 1.00 0.00 O ATOM 129 CB CYS A 10 3.402 -0.201 -5.113 1.00 0.00 C ATOM 130 SG CYS A 10 2.592 0.117 -3.571 1.00 0.00 S ATOM 0 H CYS A 10 3.288 -0.728 -7.327 1.00 0.00 H new ATOM 0 HA CYS A 10 2.789 1.685 -5.990 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.866 -1.016 -5.599 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.403 -0.568 -4.885 1.00 0.00 H new ATOM 135 N ILE A 11 5.916 1.065 -6.633 1.00 0.00 N ATOM 136 CA ILE A 11 7.237 1.671 -6.745 1.00 0.00 C ATOM 137 C ILE A 11 7.088 3.141 -7.155 1.00 0.00 C ATOM 138 O ILE A 11 7.846 3.987 -6.684 1.00 0.00 O ATOM 139 CB ILE A 11 8.102 0.898 -7.760 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.438 -0.502 -7.213 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.410 1.631 -8.104 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.220 -1.374 -8.200 1.00 0.00 C ATOM 0 H ILE A 11 5.849 0.153 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 11 7.740 1.624 -5.779 1.00 0.00 H new ATOM 0 HB ILE A 11 7.515 0.818 -8.675 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.018 -0.395 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.512 -1.011 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.979 1.041 -8.823 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.179 2.605 -8.536 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.000 1.767 -7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.421 -2.345 -7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.633 -1.512 -9.108 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.163 -0.887 -8.448 1.00 0.00 H new ATOM 154 N GLY A 12 6.099 3.452 -8.003 1.00 0.00 N ATOM 155 CA GLY A 12 5.805 4.803 -8.443 1.00 0.00 C ATOM 156 C GLY A 12 5.776 5.814 -7.294 1.00 0.00 C ATOM 157 O GLY A 12 6.268 6.928 -7.470 1.00 0.00 O ATOM 0 H GLY A 12 5.475 2.752 -8.404 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.553 5.112 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.841 4.812 -8.952 1.00 0.00 H new ATOM 161 N CYS A 13 5.229 5.446 -6.125 1.00 0.00 N ATOM 162 CA CYS A 13 5.141 6.367 -4.991 1.00 0.00 C ATOM 163 C CYS A 13 5.947 5.893 -3.790 1.00 0.00 C ATOM 164 O CYS A 13 6.116 6.676 -2.863 1.00 0.00 O ATOM 165 CB CYS A 13 3.691 6.538 -4.553 1.00 0.00 C ATOM 166 SG CYS A 13 2.653 7.604 -5.595 1.00 0.00 S ATOM 0 H CYS A 13 4.843 4.519 -5.945 1.00 0.00 H new ATOM 0 HA CYS A 13 5.555 7.315 -5.336 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.229 5.552 -4.507 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.685 6.940 -3.540 1.00 0.00 H new ATOM 171 N HIS A 14 6.424 4.642 -3.771 1.00 0.00 N ATOM 172 CA HIS A 14 7.147 4.109 -2.619 1.00 0.00 C ATOM 173 C HIS A 14 8.565 3.625 -2.926 1.00 0.00 C ATOM 174 O HIS A 14 9.313 3.292 -2.008 1.00 0.00 O ATOM 175 CB HIS A 14 6.288 3.029 -1.973 1.00 0.00 C ATOM 176 CG HIS A 14 5.018 3.581 -1.382 1.00 0.00 C ATOM 177 ND1 HIS A 14 5.014 4.591 -0.434 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.695 3.355 -1.668 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.733 4.782 -0.077 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.879 3.974 -0.716 1.00 0.00 N ATOM 0 H HIS A 14 6.320 3.983 -4.543 1.00 0.00 H new ATOM 0 HA HIS A 14 7.310 4.928 -1.918 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.040 2.273 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.862 2.531 -1.192 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.827 5.093 -0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.335 2.781 -2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.423 5.515 0.653 1.00 0.00 H new ATOM 188 N GLY A 15 8.979 3.612 -4.191 1.00 0.00 N ATOM 189 CA GLY A 15 10.323 3.195 -4.546 1.00 0.00 C ATOM 190 C GLY A 15 10.564 1.727 -4.204 1.00 0.00 C ATOM 191 O GLY A 15 9.627 0.947 -4.041 1.00 0.00 O ATOM 0 H GLY A 15 8.399 3.887 -4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.484 3.352 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.048 3.816 -4.020 1.00 0.00 H new ATOM 195 N ALA A 16 11.836 1.342 -4.104 1.00 0.00 N ATOM 196 CA ALA A 16 12.206 -0.017 -3.745 1.00 0.00 C ATOM 197 C ALA A 16 12.019 -0.215 -2.241 1.00 0.00 C ATOM 198 O ALA A 16 11.273 -1.089 -1.810 1.00 0.00 O ATOM 199 CB ALA A 16 13.653 -0.287 -4.168 1.00 0.00 C ATOM 0 H ALA A 16 12.629 1.961 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 16 11.564 -0.728 -4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.927 -1.307 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.746 -0.160 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.317 0.414 -3.662 1.00 0.00 H new ATOM 205 N ASP A 17 12.659 0.638 -1.437 1.00 0.00 N ATOM 206 CA ASP A 17 12.682 0.564 0.021 1.00 0.00 C ATOM 207 C ASP A 17 11.421 1.141 0.672 1.00 0.00 C ATOM 208 O ASP A 17 11.514 1.894 1.637 1.00 0.00 O ATOM 209 CB ASP A 17 13.951 1.242 0.554 1.00 0.00 C ATOM 210 CG ASP A 17 13.957 2.764 0.400 1.00 0.00 C ATOM 211 OD1 ASP A 17 13.251 3.259 -0.509 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.673 3.409 1.195 1.00 0.00 O ATOM 0 H ASP A 17 13.194 1.427 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 17 12.696 -0.491 0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.067 0.994 1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.816 0.831 0.033 1.00 0.00 H new ATOM 217 N GLY A 18 10.263 0.770 0.127 1.00 0.00 N ATOM 218 CA GLY A 18 8.914 1.144 0.543 1.00 0.00 C ATOM 219 C GLY A 18 8.820 2.482 1.285 1.00 0.00 C ATOM 220 O GLY A 18 8.260 2.534 2.380 1.00 0.00 O ATOM 0 H GLY A 18 10.244 0.150 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.275 1.188 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.516 0.359 1.186 1.00 0.00 H new ATOM 224 N SER A 19 9.344 3.562 0.700 1.00 0.00 N ATOM 225 CA SER A 19 9.405 4.870 1.327 1.00 0.00 C ATOM 226 C SER A 19 8.680 5.932 0.492 1.00 0.00 C ATOM 227 O SER A 19 7.452 5.903 0.420 1.00 0.00 O ATOM 228 CB SER A 19 10.875 5.199 1.628 1.00 0.00 C ATOM 229 OG SER A 19 11.640 5.284 0.437 1.00 0.00 O ATOM 0 H SER A 19 9.743 3.544 -0.239 1.00 0.00 H new ATOM 0 HA SER A 19 8.868 4.863 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.935 6.143 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.295 4.432 2.278 1.00 0.00 H new ATOM 0 HG SER A 19 12.082 4.426 0.270 1.00 0.00 H new ATOM 235 N LYS A 20 9.463 6.835 -0.118 1.00 0.00 N ATOM 236 CA LYS A 20 9.101 8.012 -0.904 1.00 0.00 C ATOM 237 C LYS A 20 7.927 8.831 -0.343 1.00 0.00 C ATOM 238 O LYS A 20 6.765 8.433 -0.399 1.00 0.00 O ATOM 239 CB LYS A 20 8.900 7.675 -2.392 1.00 0.00 C ATOM 240 CG LYS A 20 10.127 8.011 -3.254 1.00 0.00 C ATOM 241 CD LYS A 20 9.795 8.010 -4.755 1.00 0.00 C ATOM 242 CE LYS A 20 9.418 6.616 -5.260 1.00 0.00 C ATOM 243 NZ LYS A 20 9.059 6.618 -6.688 1.00 0.00 N ATOM 0 H LYS A 20 10.477 6.742 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 20 9.966 8.670 -0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.673 6.614 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.036 8.223 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.513 8.990 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.917 7.287 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.972 8.699 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.654 8.378 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.254 5.935 -5.099 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.579 6.235 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.910 5.640 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.185 7.165 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.828 7.050 -7.239 1.00 0.00 H new ATOM 257 N ALA A 21 8.227 10.040 0.143 1.00 0.00 N ATOM 258 CA ALA A 21 7.223 10.998 0.589 1.00 0.00 C ATOM 259 C ALA A 21 6.566 11.612 -0.654 1.00 0.00 C ATOM 260 O ALA A 21 6.784 12.779 -0.966 1.00 0.00 O ATOM 261 CB ALA A 21 7.895 12.061 1.465 1.00 0.00 C ATOM 0 H ALA A 21 9.184 10.380 0.237 1.00 0.00 H new ATOM 0 HA ALA A 21 6.452 10.516 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.148 12.780 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.354 11.583 2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.662 12.577 0.887 1.00 0.00 H new ATOM 267 N ALA A 22 5.807 10.791 -1.385 1.00 0.00 N ATOM 268 CA ALA A 22 5.144 11.143 -2.629 1.00 0.00 C ATOM 269 C ALA A 22 4.080 12.213 -2.410 1.00 0.00 C ATOM 270 O ALA A 22 4.341 13.413 -2.479 1.00 0.00 O ATOM 271 CB ALA A 22 4.629 9.857 -3.290 1.00 0.00 C ATOM 0 H ALA A 22 5.635 9.824 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 22 5.847 11.604 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.128 10.104 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.468 9.191 -3.492 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.925 9.361 -2.622 1.00 0.00 H new ATOM 277 N MET A 23 2.857 11.767 -2.163 1.00 0.00 N ATOM 278 CA MET A 23 1.726 12.637 -1.878 1.00 0.00 C ATOM 279 C MET A 23 1.868 13.156 -0.444 1.00 0.00 C ATOM 280 O MET A 23 1.123 12.767 0.454 1.00 0.00 O ATOM 281 CB MET A 23 0.409 11.887 -2.115 1.00 0.00 C ATOM 282 CG MET A 23 0.161 11.590 -3.598 1.00 0.00 C ATOM 283 SD MET A 23 -0.140 13.042 -4.638 1.00 0.00 S ATOM 284 CE MET A 23 -0.399 12.236 -6.233 1.00 0.00 C ATOM 0 H MET A 23 2.619 10.775 -2.155 1.00 0.00 H new ATOM 0 HA MET A 23 1.713 13.495 -2.550 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.423 10.950 -1.558 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.418 12.479 -1.723 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.023 11.053 -3.993 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.696 10.921 -3.679 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.599 12.991 -6.994 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.494 11.673 -6.506 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.249 11.557 -6.164 1.00 0.00 H new ATOM 294 N GLY A 24 2.847 14.036 -0.231 1.00 0.00 N ATOM 295 CA GLY A 24 3.156 14.595 1.073 1.00 0.00 C ATOM 296 C GLY A 24 3.981 13.610 1.901 1.00 0.00 C ATOM 297 O GLY A 24 4.411 12.569 1.403 1.00 0.00 O ATOM 0 H GLY A 24 3.453 14.382 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.707 15.528 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.232 14.836 1.599 1.00 0.00 H new ATOM 301 N SER A 25 4.192 13.944 3.177 1.00 0.00 N ATOM 302 CA SER A 25 4.981 13.191 4.141 1.00 0.00 C ATOM 303 C SER A 25 4.391 11.813 4.461 1.00 0.00 C ATOM 304 O SER A 25 3.901 11.581 5.563 1.00 0.00 O ATOM 305 CB SER A 25 5.107 14.048 5.404 1.00 0.00 C ATOM 306 OG SER A 25 5.386 15.386 5.029 1.00 0.00 O ATOM 0 H SER A 25 3.794 14.792 3.581 1.00 0.00 H new ATOM 0 HA SER A 25 5.961 12.985 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.184 14.004 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.902 13.663 6.043 1.00 0.00 H new ATOM 0 HG SER A 25 5.466 15.941 5.833 1.00 0.00 H new ATOM 312 N ALA A 26 4.427 10.898 3.495 1.00 0.00 N ATOM 313 CA ALA A 26 3.936 9.538 3.639 1.00 0.00 C ATOM 314 C ALA A 26 4.813 8.759 4.618 1.00 0.00 C ATOM 315 O ALA A 26 6.024 8.680 4.413 1.00 0.00 O ATOM 316 CB ALA A 26 3.921 8.850 2.270 1.00 0.00 C ATOM 0 H ALA A 26 4.809 11.091 2.569 1.00 0.00 H new ATOM 0 HA ALA A 26 2.921 9.564 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.553 7.830 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.268 9.401 1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.932 8.829 1.862 1.00 0.00 H new ATOM 322 N LYS A 27 4.227 8.200 5.685 1.00 0.00 N ATOM 323 CA LYS A 27 4.971 7.323 6.583 1.00 0.00 C ATOM 324 C LYS A 27 5.587 6.214 5.716 1.00 0.00 C ATOM 325 O LYS A 27 4.877 5.630 4.894 1.00 0.00 O ATOM 326 CB LYS A 27 4.070 6.706 7.664 1.00 0.00 C ATOM 327 CG LYS A 27 3.291 7.681 8.562 1.00 0.00 C ATOM 328 CD LYS A 27 4.136 8.743 9.289 1.00 0.00 C ATOM 329 CE LYS A 27 4.353 10.047 8.503 1.00 0.00 C ATOM 330 NZ LYS A 27 3.085 10.698 8.124 1.00 0.00 N ATOM 0 H LYS A 27 3.250 8.341 5.941 1.00 0.00 H new ATOM 0 HA LYS A 27 5.735 7.897 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.351 6.050 7.172 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.690 6.078 8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.547 8.192 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.748 7.102 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.654 8.983 10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.109 8.312 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.945 10.736 9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.930 9.833 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.045 10.804 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.286 10.114 8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.029 11.635 8.571 1.00 0.00 H new ATOM 344 N PRO A 28 6.886 5.914 5.855 1.00 0.00 N ATOM 345 CA PRO A 28 7.543 4.958 4.989 1.00 0.00 C ATOM 346 C PRO A 28 7.061 3.533 5.259 1.00 0.00 C ATOM 347 O PRO A 28 7.589 2.846 6.126 1.00 0.00 O ATOM 348 CB PRO A 28 9.043 5.143 5.240 1.00 0.00 C ATOM 349 CG PRO A 28 9.091 5.638 6.686 1.00 0.00 C ATOM 350 CD PRO A 28 7.829 6.494 6.797 1.00 0.00 C ATOM 0 HA PRO A 28 7.308 5.127 3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.591 4.209 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.481 5.865 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.082 4.811 7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.992 6.219 6.884 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.431 6.478 7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.038 7.536 6.553 1.00 0.00 H new ATOM 358 N VAL A 29 6.059 3.126 4.476 1.00 0.00 N ATOM 359 CA VAL A 29 5.391 1.829 4.426 1.00 0.00 C ATOM 360 C VAL A 29 6.284 0.668 4.863 1.00 0.00 C ATOM 361 O VAL A 29 5.836 -0.200 5.613 1.00 0.00 O ATOM 362 CB VAL A 29 4.867 1.583 3.000 1.00 0.00 C ATOM 363 CG1 VAL A 29 3.793 0.493 3.014 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.267 2.850 2.391 1.00 0.00 C ATOM 0 H VAL A 29 5.656 3.766 3.791 1.00 0.00 H new ATOM 0 HA VAL A 29 4.567 1.865 5.139 1.00 0.00 H new ATOM 0 HB VAL A 29 5.718 1.271 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.429 0.327 2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.219 -0.432 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.965 0.806 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.908 2.635 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.435 3.191 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.029 3.628 2.346 1.00 0.00 H new ATOM 374 N LYS A 30 7.510 0.645 4.329 1.00 0.00 N ATOM 375 CA LYS A 30 8.580 -0.300 4.610 1.00 0.00 C ATOM 376 C LYS A 30 8.512 -0.797 6.060 1.00 0.00 C ATOM 377 O LYS A 30 9.031 -0.160 6.976 1.00 0.00 O ATOM 378 CB LYS A 30 9.911 0.413 4.346 1.00 0.00 C ATOM 379 CG LYS A 30 11.124 -0.508 4.536 1.00 0.00 C ATOM 380 CD LYS A 30 12.444 0.259 4.689 1.00 0.00 C ATOM 381 CE LYS A 30 12.474 1.200 5.904 1.00 0.00 C ATOM 382 NZ LYS A 30 11.932 0.562 7.118 1.00 0.00 N ATOM 0 H LYS A 30 7.794 1.340 3.639 1.00 0.00 H new ATOM 0 HA LYS A 30 8.482 -1.176 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.913 0.805 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.000 1.267 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.967 -1.128 5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.199 -1.181 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.262 -0.456 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.623 0.841 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.500 1.517 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.898 2.098 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.111 1.173 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.908 0.420 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.395 -0.358 7.263 1.00 0.00 H new ATOM 396 N GLY A 31 7.869 -1.943 6.263 1.00 0.00 N ATOM 397 CA GLY A 31 7.766 -2.568 7.561 1.00 0.00 C ATOM 398 C GLY A 31 6.988 -1.810 8.634 1.00 0.00 C ATOM 399 O GLY A 31 7.432 -1.821 9.780 1.00 0.00 O ATOM 0 H GLY A 31 7.403 -2.462 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.300 -3.545 7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.775 -2.743 7.934 1.00 0.00 H new ATOM 403 N GLN A 32 5.827 -1.206 8.325 1.00 0.00 N ATOM 404 CA GLN A 32 4.985 -0.668 9.414 1.00 0.00 C ATOM 405 C GLN A 32 4.724 -1.829 10.387 1.00 0.00 C ATOM 406 O GLN A 32 4.918 -1.750 11.597 1.00 0.00 O ATOM 407 CB GLN A 32 3.627 -0.066 8.978 1.00 0.00 C ATOM 408 CG GLN A 32 3.539 0.860 7.757 1.00 0.00 C ATOM 409 CD GLN A 32 4.367 2.149 7.835 1.00 0.00 C ATOM 410 OE1 GLN A 32 5.467 2.137 8.370 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.895 3.279 7.293 1.00 0.00 N ATOM 0 H GLN A 32 5.461 -1.080 7.381 1.00 0.00 H new ATOM 0 HA GLN A 32 5.530 0.167 9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.949 -0.900 8.798 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.233 0.488 9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.855 0.300 6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.494 1.130 7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.977 3.286 6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.453 4.132 7.326 1.00 0.00 H new ATOM 420 N GLY A 33 4.278 -2.917 9.769 1.00 0.00 N ATOM 421 CA GLY A 33 4.035 -4.244 10.325 1.00 0.00 C ATOM 422 C GLY A 33 3.085 -4.984 9.387 1.00 0.00 C ATOM 423 O GLY A 33 2.217 -4.336 8.825 1.00 0.00 O ATOM 0 H GLY A 33 4.057 -2.890 8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.972 -4.791 10.427 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.601 -4.166 11.322 1.00 0.00 H new ATOM 427 N ALA A 34 3.208 -6.298 9.170 1.00 0.00 N ATOM 428 CA ALA A 34 2.299 -7.007 8.263 1.00 0.00 C ATOM 429 C ALA A 34 0.840 -6.813 8.671 1.00 0.00 C ATOM 430 O ALA A 34 -0.012 -6.589 7.818 1.00 0.00 O ATOM 431 CB ALA A 34 2.632 -8.499 8.159 1.00 0.00 C ATOM 0 H ALA A 34 3.919 -6.886 9.604 1.00 0.00 H new ATOM 0 HA ALA A 34 2.442 -6.568 7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.932 -8.981 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.648 -8.620 7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.553 -8.959 9.144 1.00 0.00 H new ATOM 437 N GLU A 35 0.557 -6.887 9.972 1.00 0.00 N ATOM 438 CA GLU A 35 -0.778 -6.683 10.501 1.00 0.00 C ATOM 439 C GLU A 35 -1.284 -5.297 10.103 1.00 0.00 C ATOM 440 O GLU A 35 -2.328 -5.159 9.467 1.00 0.00 O ATOM 441 CB GLU A 35 -0.727 -6.818 12.028 1.00 0.00 C ATOM 442 CG GLU A 35 -0.430 -8.254 12.486 1.00 0.00 C ATOM 443 CD GLU A 35 -1.497 -9.241 12.020 1.00 0.00 C ATOM 444 OE1 GLU A 35 -2.653 -9.075 12.465 1.00 0.00 O ATOM 445 OE2 GLU A 35 -1.139 -10.131 11.219 1.00 0.00 O ATOM 0 H GLU A 35 1.256 -7.092 10.686 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.462 -7.428 10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.038 -6.149 12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.679 -6.496 12.449 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.541 -8.563 12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.364 -8.280 13.574 1.00 0.00 H new ATOM 452 N GLU A 36 -0.526 -4.273 10.499 1.00 0.00 N ATOM 453 CA GLU A 36 -0.780 -2.887 10.240 1.00 0.00 C ATOM 454 C GLU A 36 -1.040 -2.684 8.753 1.00 0.00 C ATOM 455 O GLU A 36 -2.093 -2.191 8.357 1.00 0.00 O ATOM 456 CB GLU A 36 0.490 -2.164 10.691 1.00 0.00 C ATOM 457 CG GLU A 36 0.677 -2.130 12.210 1.00 0.00 C ATOM 458 CD GLU A 36 -0.428 -1.327 12.892 1.00 0.00 C ATOM 459 OE1 GLU A 36 -0.429 -0.092 12.698 1.00 0.00 O ATOM 460 OE2 GLU A 36 -1.266 -1.967 13.564 1.00 0.00 O ATOM 0 H GLU A 36 0.327 -4.416 11.039 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.657 -2.508 10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.354 -2.651 10.239 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.468 -1.141 10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.682 -3.148 12.600 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.646 -1.692 12.449 1.00 0.00 H new ATOM 467 N LEU A 37 -0.059 -3.080 7.944 1.00 0.00 N ATOM 468 CA LEU A 37 -0.108 -2.992 6.503 1.00 0.00 C ATOM 469 C LEU A 37 -1.408 -3.625 6.020 1.00 0.00 C ATOM 470 O LEU A 37 -2.218 -2.915 5.445 1.00 0.00 O ATOM 471 CB LEU A 37 1.134 -3.646 5.885 1.00 0.00 C ATOM 472 CG LEU A 37 2.423 -2.830 6.104 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.643 -3.718 5.846 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.486 -1.620 5.173 1.00 0.00 C ATOM 0 H LEU A 37 0.812 -3.481 8.292 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.098 -1.950 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.264 -4.640 6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.973 -3.778 4.815 1.00 0.00 H new ATOM 0 HG LEU A 37 2.421 -2.474 7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.554 -3.139 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.629 -4.564 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.616 -4.084 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.408 -1.068 5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.464 -1.957 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.631 -0.971 5.362 1.00 0.00 H new ATOM 486 N TYR A 38 -1.642 -4.917 6.276 1.00 0.00 N ATOM 487 CA TYR A 38 -2.862 -5.611 5.871 1.00 0.00 C ATOM 488 C TYR A 38 -4.116 -4.799 6.184 1.00 0.00 C ATOM 489 O TYR A 38 -4.917 -4.538 5.287 1.00 0.00 O ATOM 490 CB TYR A 38 -2.941 -7.017 6.476 1.00 0.00 C ATOM 491 CG TYR A 38 -4.204 -7.753 6.064 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.444 -8.021 4.702 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.217 -7.998 7.009 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.678 -8.554 4.291 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.449 -8.535 6.598 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.679 -8.818 5.242 1.00 0.00 C ATOM 497 OH TYR A 38 -7.869 -9.359 4.861 1.00 0.00 O ATOM 0 H TYR A 38 -0.981 -5.513 6.775 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.815 -5.722 4.788 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.070 -7.593 6.165 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.904 -6.945 7.563 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.676 -7.816 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.048 -7.773 8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.857 -8.760 3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.221 -8.731 7.327 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.798 -9.692 3.942 1.00 0.00 H new ATOM 507 N LYS A 39 -4.279 -4.401 7.446 1.00 0.00 N ATOM 508 CA LYS A 39 -5.414 -3.594 7.867 1.00 0.00 C ATOM 509 C LYS A 39 -5.542 -2.339 7.001 1.00 0.00 C ATOM 510 O LYS A 39 -6.635 -2.010 6.556 1.00 0.00 O ATOM 511 CB LYS A 39 -5.270 -3.221 9.344 1.00 0.00 C ATOM 512 CG LYS A 39 -5.469 -4.445 10.246 1.00 0.00 C ATOM 513 CD LYS A 39 -5.388 -4.088 11.736 1.00 0.00 C ATOM 514 CE LYS A 39 -4.034 -3.486 12.131 1.00 0.00 C ATOM 515 NZ LYS A 39 -3.913 -3.312 13.588 1.00 0.00 N ATOM 0 H LYS A 39 -3.629 -4.630 8.198 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.324 -4.180 7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.283 -2.793 9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.000 -2.454 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.439 -4.896 10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.712 -5.193 10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.180 -3.379 11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.569 -4.984 12.330 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.232 -4.133 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.908 -2.522 11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.020 -2.826 13.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.711 -2.744 13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.922 -4.243 14.051 1.00 0.00 H new ATOM 529 N LYS A 40 -4.440 -1.633 6.759 1.00 0.00 N ATOM 530 CA LYS A 40 -4.399 -0.435 5.953 1.00 0.00 C ATOM 531 C LYS A 40 -4.700 -0.742 4.474 1.00 0.00 C ATOM 532 O LYS A 40 -5.449 0.018 3.864 1.00 0.00 O ATOM 533 CB LYS A 40 -3.022 0.186 6.195 1.00 0.00 C ATOM 534 CG LYS A 40 -2.886 0.702 7.640 1.00 0.00 C ATOM 535 CD LYS A 40 -1.417 0.934 8.012 1.00 0.00 C ATOM 536 CE LYS A 40 -1.289 1.500 9.430 1.00 0.00 C ATOM 537 NZ LYS A 40 0.113 1.807 9.763 1.00 0.00 N ATOM 0 H LYS A 40 -3.528 -1.894 7.134 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.174 0.279 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.247 -0.554 5.997 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.864 1.008 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.443 1.633 7.750 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.329 -0.018 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.868 -0.005 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.963 1.623 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.892 2.404 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.686 0.781 10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.159 2.235 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.672 0.930 9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.498 2.472 9.063 1.00 0.00 H new ATOM 551 N MET A 41 -4.173 -1.824 3.872 1.00 0.00 N ATOM 552 CA MET A 41 -4.513 -2.199 2.519 1.00 0.00 C ATOM 553 C MET A 41 -6.019 -2.424 2.440 1.00 0.00 C ATOM 554 O MET A 41 -6.663 -1.922 1.528 1.00 0.00 O ATOM 555 CB MET A 41 -3.801 -3.476 2.046 1.00 0.00 C ATOM 556 CG MET A 41 -2.365 -3.802 2.457 1.00 0.00 C ATOM 557 SD MET A 41 -1.251 -2.399 2.282 1.00 0.00 S ATOM 558 CE MET A 41 0.290 -3.228 1.884 1.00 0.00 C ATOM 0 H MET A 41 -3.504 -2.450 4.321 1.00 0.00 H new ATOM 0 HA MET A 41 -4.187 -1.388 1.868 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.418 -4.316 2.365 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.821 -3.462 0.956 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.357 -4.139 3.494 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.998 -4.629 1.850 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.128 -2.574 2.125 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.369 -4.148 2.464 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.311 -3.467 0.821 1.00 0.00 H new ATOM 568 N LYS A 42 -6.574 -3.186 3.391 1.00 0.00 N ATOM 569 CA LYS A 42 -8.007 -3.438 3.477 1.00 0.00 C ATOM 570 C LYS A 42 -8.719 -2.085 3.606 1.00 0.00 C ATOM 571 O LYS A 42 -9.701 -1.820 2.921 1.00 0.00 O ATOM 572 CB LYS A 42 -8.285 -4.378 4.665 1.00 0.00 C ATOM 573 CG LYS A 42 -9.498 -5.299 4.479 1.00 0.00 C ATOM 574 CD LYS A 42 -10.816 -4.538 4.297 1.00 0.00 C ATOM 575 CE LYS A 42 -12.000 -5.507 4.399 1.00 0.00 C ATOM 576 NZ LYS A 42 -13.283 -4.824 4.157 1.00 0.00 N ATOM 0 H LYS A 42 -6.033 -3.645 4.124 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.386 -3.936 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.402 -4.993 4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.436 -3.776 5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.332 -5.936 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.583 -5.956 5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.905 -3.761 5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.826 -4.039 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.874 -6.313 3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.012 -5.965 5.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.981 -5.137 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.149 -3.796 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.626 -5.057 3.203 1.00 0.00 H new ATOM 590 N GLY A 43 -8.177 -1.225 4.468 1.00 0.00 N ATOM 591 CA GLY A 43 -8.567 0.146 4.719 1.00 0.00 C ATOM 592 C GLY A 43 -8.855 0.886 3.425 1.00 0.00 C ATOM 593 O GLY A 43 -9.974 1.340 3.172 1.00 0.00 O ATOM 0 H GLY A 43 -7.389 -1.501 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.452 0.163 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.773 0.658 5.264 1.00 0.00 H new ATOM 597 N TYR A 44 -7.788 1.028 2.642 1.00 0.00 N ATOM 598 CA TYR A 44 -7.779 1.739 1.381 1.00 0.00 C ATOM 599 C TYR A 44 -8.664 1.010 0.370 1.00 0.00 C ATOM 600 O TYR A 44 -9.562 1.607 -0.219 1.00 0.00 O ATOM 601 CB TYR A 44 -6.329 1.898 0.899 1.00 0.00 C ATOM 602 CG TYR A 44 -5.436 2.831 1.711 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.820 4.169 1.930 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.145 2.415 2.100 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.982 5.039 2.653 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.283 3.307 2.766 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.720 4.602 3.081 1.00 0.00 C ATOM 608 OH TYR A 44 -2.906 5.451 3.771 1.00 0.00 O ATOM 0 H TYR A 44 -6.878 0.635 2.883 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.194 2.740 1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.865 0.912 0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.350 2.257 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.761 4.529 1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.817 1.409 1.886 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.311 6.043 2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.285 2.994 3.034 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.013 5.297 4.733 1.00 0.00 H new ATOM 618 N ALA A 45 -8.446 -0.294 0.190 1.00 0.00 N ATOM 619 CA ALA A 45 -9.210 -1.092 -0.755 1.00 0.00 C ATOM 620 C ALA A 45 -10.714 -0.972 -0.512 1.00 0.00 C ATOM 621 O ALA A 45 -11.483 -0.903 -1.467 1.00 0.00 O ATOM 622 CB ALA A 45 -8.758 -2.553 -0.699 1.00 0.00 C ATOM 0 H ALA A 45 -7.735 -0.821 0.697 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.017 -0.705 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.337 -3.141 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.700 -2.616 -0.952 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.914 -2.944 0.306 1.00 0.00 H new ATOM 628 N ASP A 46 -11.134 -0.918 0.757 1.00 0.00 N ATOM 629 CA ASP A 46 -12.545 -0.821 1.117 1.00 0.00 C ATOM 630 C ASP A 46 -12.981 0.637 1.303 1.00 0.00 C ATOM 631 O ASP A 46 -13.970 0.893 1.986 1.00 0.00 O ATOM 632 CB ASP A 46 -12.786 -1.662 2.380 1.00 0.00 C ATOM 633 CG ASP A 46 -14.261 -1.883 2.709 1.00 0.00 C ATOM 634 OD1 ASP A 46 -15.062 -1.986 1.754 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.553 -2.007 3.918 1.00 0.00 O ATOM 0 H ASP A 46 -10.504 -0.941 1.559 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.157 -1.214 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.303 -2.631 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.305 -1.172 3.227 1.00 0.00 H new ATOM 640 N GLY A 47 -12.231 1.598 0.743 1.00 0.00 N ATOM 641 CA GLY A 47 -12.515 3.029 0.812 1.00 0.00 C ATOM 642 C GLY A 47 -12.906 3.508 2.211 1.00 0.00 C ATOM 643 O GLY A 47 -13.686 4.446 2.350 1.00 0.00 O ATOM 0 H GLY A 47 -11.384 1.388 0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.636 3.582 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.321 3.265 0.118 1.00 0.00 H new ATOM 647 N SER A 48 -12.358 2.862 3.241 1.00 0.00 N ATOM 648 CA SER A 48 -12.638 3.150 4.639 1.00 0.00 C ATOM 649 C SER A 48 -11.506 4.013 5.189 1.00 0.00 C ATOM 650 O SER A 48 -11.733 4.986 5.902 1.00 0.00 O ATOM 651 CB SER A 48 -12.778 1.823 5.387 1.00 0.00 C ATOM 652 OG SER A 48 -13.829 1.062 4.818 1.00 0.00 O ATOM 0 H SER A 48 -11.688 2.103 3.117 1.00 0.00 H new ATOM 0 HA SER A 48 -13.569 3.703 4.762 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.843 1.265 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.980 2.009 6.442 1.00 0.00 H new ATOM 0 HG SER A 48 -13.672 0.955 3.857 1.00 0.00 H new ATOM 658 N TYR A 49 -10.277 3.633 4.843 1.00 0.00 N ATOM 659 CA TYR A 49 -9.068 4.378 5.128 1.00 0.00 C ATOM 660 C TYR A 49 -8.826 5.194 3.859 1.00 0.00 C ATOM 661 O TYR A 49 -8.978 4.648 2.768 1.00 0.00 O ATOM 662 CB TYR A 49 -7.932 3.373 5.375 1.00 0.00 C ATOM 663 CG TYR A 49 -6.728 3.893 6.110 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.889 4.390 7.413 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.447 3.539 5.655 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.766 4.606 8.222 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.317 3.819 6.436 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.475 4.372 7.720 1.00 0.00 C ATOM 669 OH TYR A 49 -3.402 4.574 8.534 1.00 0.00 O ATOM 0 H TYR A 49 -10.098 2.765 4.338 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.132 5.021 6.006 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.337 2.530 5.936 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.603 2.986 4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.877 4.606 7.791 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.332 3.049 4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.893 4.954 9.236 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.329 3.611 6.053 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.582 4.589 7.997 1.00 0.00 H new ATOM 679 N GLY A 50 -8.492 6.481 3.948 1.00 0.00 N ATOM 680 CA GLY A 50 -8.290 7.268 2.743 1.00 0.00 C ATOM 681 C GLY A 50 -8.206 8.755 3.057 1.00 0.00 C ATOM 682 O GLY A 50 -8.133 9.144 4.221 1.00 0.00 O ATOM 0 H GLY A 50 -8.359 6.987 4.823 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.374 6.947 2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.109 7.087 2.047 1.00 0.00 H new ATOM 686 N GLY A 51 -8.194 9.573 2.004 1.00 0.00 N ATOM 687 CA GLY A 51 -8.093 11.020 2.050 1.00 0.00 C ATOM 688 C GLY A 51 -7.679 11.493 0.658 1.00 0.00 C ATOM 689 O GLY A 51 -7.310 10.669 -0.181 1.00 0.00 O ATOM 0 H GLY A 51 -8.258 9.219 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.047 11.462 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.360 11.330 2.795 1.00 0.00 H new ATOM 693 N GLU A 52 -7.707 12.805 0.408 1.00 0.00 N ATOM 694 CA GLU A 52 -7.360 13.384 -0.886 1.00 0.00 C ATOM 695 C GLU A 52 -6.012 12.840 -1.367 1.00 0.00 C ATOM 696 O GLU A 52 -5.917 12.253 -2.441 1.00 0.00 O ATOM 697 CB GLU A 52 -7.341 14.921 -0.803 1.00 0.00 C ATOM 698 CG GLU A 52 -8.738 15.552 -0.658 1.00 0.00 C ATOM 699 CD GLU A 52 -9.420 15.305 0.688 1.00 0.00 C ATOM 700 OE1 GLU A 52 -8.688 15.046 1.669 1.00 0.00 O ATOM 701 OE2 GLU A 52 -10.667 15.370 0.709 1.00 0.00 O ATOM 0 H GLU A 52 -7.974 13.499 1.107 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.120 13.098 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.726 15.222 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.864 15.318 -1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.653 16.627 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.379 15.165 -1.450 1.00 0.00 H new ATOM 708 N ARG A 53 -4.980 12.990 -0.531 1.00 0.00 N ATOM 709 CA ARG A 53 -3.633 12.524 -0.799 1.00 0.00 C ATOM 710 C ARG A 53 -3.557 11.011 -1.055 1.00 0.00 C ATOM 711 O ARG A 53 -2.600 10.540 -1.662 1.00 0.00 O ATOM 712 CB ARG A 53 -2.747 12.957 0.381 1.00 0.00 C ATOM 713 CG ARG A 53 -3.083 12.263 1.712 1.00 0.00 C ATOM 714 CD ARG A 53 -2.209 12.765 2.870 1.00 0.00 C ATOM 715 NE ARG A 53 -0.787 12.465 2.637 1.00 0.00 N ATOM 716 CZ ARG A 53 0.084 11.868 3.466 1.00 0.00 C ATOM 717 NH1 ARG A 53 -0.257 11.431 4.685 1.00 0.00 N ATOM 718 NH2 ARG A 53 1.334 11.704 3.035 1.00 0.00 N ATOM 0 H ARG A 53 -5.070 13.453 0.373 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.276 12.974 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.705 12.754 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.839 14.035 0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.133 12.433 1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.951 11.187 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.341 13.840 2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.533 12.300 3.801 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.416 12.747 1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.214 11.546 5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.440 10.983 5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.599 12.028 2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.026 11.255 3.635 1.00 0.00 H new ATOM 732 N LYS A 54 -4.549 10.248 -0.583 1.00 0.00 N ATOM 733 CA LYS A 54 -4.590 8.801 -0.702 1.00 0.00 C ATOM 734 C LYS A 54 -5.346 8.348 -1.951 1.00 0.00 C ATOM 735 O LYS A 54 -5.143 7.226 -2.396 1.00 0.00 O ATOM 736 CB LYS A 54 -5.289 8.195 0.524 1.00 0.00 C ATOM 737 CG LYS A 54 -4.896 8.809 1.874 1.00 0.00 C ATOM 738 CD LYS A 54 -3.435 8.546 2.245 1.00 0.00 C ATOM 739 CE LYS A 54 -3.166 9.077 3.660 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.683 8.155 4.689 1.00 0.00 N ATOM 0 H LYS A 54 -5.359 10.635 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.558 8.459 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.366 8.300 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.074 7.127 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.070 9.885 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.542 8.405 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.223 7.478 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.773 9.034 1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.094 9.217 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.633 10.055 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.260 8.390 5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.717 8.247 4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.436 7.177 4.434 1.00 0.00 H new ATOM 754 N ALA A 55 -6.261 9.162 -2.484 1.00 0.00 N ATOM 755 CA ALA A 55 -7.150 8.803 -3.592 1.00 0.00 C ATOM 756 C ALA A 55 -6.556 7.866 -4.656 1.00 0.00 C ATOM 757 O ALA A 55 -7.096 6.784 -4.894 1.00 0.00 O ATOM 758 CB ALA A 55 -7.712 10.079 -4.226 1.00 0.00 C ATOM 0 H ALA A 55 -6.408 10.114 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.947 8.207 -3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.374 9.814 -5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.271 10.641 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.892 10.691 -4.601 1.00 0.00 H new ATOM 764 N MET A 56 -5.455 8.265 -5.298 1.00 0.00 N ATOM 765 CA MET A 56 -4.811 7.463 -6.336 1.00 0.00 C ATOM 766 C MET A 56 -4.496 6.055 -5.815 1.00 0.00 C ATOM 767 O MET A 56 -4.892 5.052 -6.412 1.00 0.00 O ATOM 768 CB MET A 56 -3.554 8.198 -6.822 1.00 0.00 C ATOM 769 CG MET A 56 -2.831 7.436 -7.939 1.00 0.00 C ATOM 770 SD MET A 56 -1.428 8.328 -8.659 1.00 0.00 S ATOM 771 CE MET A 56 -0.797 7.056 -9.774 1.00 0.00 C ATOM 0 H MET A 56 -4.987 9.152 -5.112 1.00 0.00 H new ATOM 0 HA MET A 56 -5.485 7.336 -7.183 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.831 9.189 -7.181 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.873 8.342 -5.983 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.477 6.484 -7.544 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.546 7.207 -8.729 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.076 7.437 -10.304 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.515 6.174 -9.198 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.570 6.787 -10.494 1.00 0.00 H new ATOM 781 N MET A 57 -3.788 5.993 -4.687 1.00 0.00 N ATOM 782 CA MET A 57 -3.434 4.751 -4.022 1.00 0.00 C ATOM 783 C MET A 57 -4.693 3.949 -3.739 1.00 0.00 C ATOM 784 O MET A 57 -4.731 2.756 -4.013 1.00 0.00 O ATOM 785 CB MET A 57 -2.711 5.068 -2.711 1.00 0.00 C ATOM 786 CG MET A 57 -2.473 3.823 -1.849 1.00 0.00 C ATOM 787 SD MET A 57 -1.506 4.124 -0.355 1.00 0.00 S ATOM 788 CE MET A 57 -2.255 5.613 0.329 1.00 0.00 C ATOM 0 H MET A 57 -3.441 6.823 -4.206 1.00 0.00 H new ATOM 0 HA MET A 57 -2.776 4.165 -4.664 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.753 5.539 -2.934 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.297 5.791 -2.144 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.438 3.403 -1.564 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.964 3.071 -2.451 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.864 5.790 1.331 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.018 6.465 -0.308 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.336 5.486 0.379 1.00 0.00 H new ATOM 798 N THR A 58 -5.703 4.615 -3.177 1.00 0.00 N ATOM 799 CA THR A 58 -6.972 4.009 -2.808 1.00 0.00 C ATOM 800 C THR A 58 -7.540 3.263 -4.015 1.00 0.00 C ATOM 801 O THR A 58 -7.815 2.067 -3.936 1.00 0.00 O ATOM 802 CB THR A 58 -7.929 5.073 -2.237 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.270 5.846 -1.251 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.149 4.447 -1.562 1.00 0.00 C ATOM 0 H THR A 58 -5.655 5.611 -2.963 1.00 0.00 H new ATOM 0 HA THR A 58 -6.830 3.277 -2.013 1.00 0.00 H new ATOM 0 HB THR A 58 -8.247 5.683 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.457 6.239 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.795 5.235 -1.175 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.700 3.850 -2.288 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.823 3.809 -0.741 1.00 0.00 H new ATOM 812 N ASN A 59 -7.668 3.949 -5.155 1.00 0.00 N ATOM 813 CA ASN A 59 -8.178 3.303 -6.357 1.00 0.00 C ATOM 814 C ASN A 59 -7.251 2.170 -6.800 1.00 0.00 C ATOM 815 O ASN A 59 -7.738 1.119 -7.216 1.00 0.00 O ATOM 816 CB ASN A 59 -8.380 4.315 -7.489 1.00 0.00 C ATOM 817 CG ASN A 59 -9.330 3.832 -8.593 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.940 4.655 -9.265 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.512 2.528 -8.813 1.00 0.00 N ATOM 0 H ASN A 59 -7.429 4.934 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.151 2.874 -6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.769 5.242 -7.069 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.412 4.547 -7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.158 2.219 -9.539 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.005 1.841 -8.255 1.00 0.00 H new ATOM 826 N ALA A 60 -5.932 2.376 -6.739 1.00 0.00 N ATOM 827 CA ALA A 60 -4.981 1.361 -7.170 1.00 0.00 C ATOM 828 C ALA A 60 -5.152 0.076 -6.356 1.00 0.00 C ATOM 829 O ALA A 60 -5.462 -0.979 -6.905 1.00 0.00 O ATOM 830 CB ALA A 60 -3.550 1.904 -7.090 1.00 0.00 C ATOM 0 H ALA A 60 -5.505 3.236 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.181 1.110 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.850 1.134 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.455 2.777 -7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.325 2.188 -6.062 1.00 0.00 H new ATOM 836 N VAL A 61 -4.979 0.157 -5.037 1.00 0.00 N ATOM 837 CA VAL A 61 -5.095 -1.007 -4.173 1.00 0.00 C ATOM 838 C VAL A 61 -6.510 -1.596 -4.228 1.00 0.00 C ATOM 839 O VAL A 61 -6.665 -2.811 -4.135 1.00 0.00 O ATOM 840 CB VAL A 61 -4.591 -0.669 -2.761 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.527 0.277 -2.012 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.374 -1.930 -1.919 1.00 0.00 C ATOM 0 H VAL A 61 -4.757 1.023 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.448 -1.806 -4.536 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.637 -0.163 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.121 0.481 -1.021 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.619 1.211 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.509 -0.185 -1.914 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.018 -1.649 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.315 -2.472 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.634 -2.568 -2.403 1.00 0.00 H new ATOM 852 N LYS A 62 -7.547 -0.774 -4.430 1.00 0.00 N ATOM 853 CA LYS A 62 -8.910 -1.276 -4.571 1.00 0.00 C ATOM 854 C LYS A 62 -9.040 -2.270 -5.731 1.00 0.00 C ATOM 855 O LYS A 62 -9.936 -3.109 -5.708 1.00 0.00 O ATOM 856 CB LYS A 62 -9.885 -0.099 -4.699 1.00 0.00 C ATOM 857 CG LYS A 62 -11.346 -0.547 -4.836 1.00 0.00 C ATOM 858 CD LYS A 62 -12.333 0.583 -4.509 1.00 0.00 C ATOM 859 CE LYS A 62 -12.080 1.875 -5.297 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.038 1.639 -6.751 1.00 0.00 N ATOM 0 H LYS A 62 -7.463 0.240 -4.499 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.168 -1.836 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.788 0.544 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.611 0.501 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.523 -0.898 -5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.529 -1.391 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.347 0.237 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.279 0.803 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.864 2.597 -5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.137 2.317 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.950 2.548 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.221 1.038 -6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.913 1.164 -7.051 1.00 0.00 H new ATOM 874 N LYS A 63 -8.162 -2.206 -6.738 1.00 0.00 N ATOM 875 CA LYS A 63 -8.198 -3.140 -7.849 1.00 0.00 C ATOM 876 C LYS A 63 -7.636 -4.527 -7.465 1.00 0.00 C ATOM 877 O LYS A 63 -7.703 -5.454 -8.269 1.00 0.00 O ATOM 878 CB LYS A 63 -7.465 -2.510 -9.044 1.00 0.00 C ATOM 879 CG LYS A 63 -8.428 -2.080 -10.157 1.00 0.00 C ATOM 880 CD LYS A 63 -9.317 -0.918 -9.686 1.00 0.00 C ATOM 881 CE LYS A 63 -10.295 -0.474 -10.780 1.00 0.00 C ATOM 882 NZ LYS A 63 -9.598 0.120 -11.935 1.00 0.00 N ATOM 0 H LYS A 63 -7.418 -1.511 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.234 -3.326 -8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.897 -1.644 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.746 -3.225 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.862 -1.778 -11.038 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.051 -2.924 -10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.875 -1.222 -8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.690 -0.075 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.881 -1.331 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.996 0.251 -10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.295 0.543 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.941 0.855 -11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.065 -0.619 -12.437 1.00 0.00 H new ATOM 896 N ALA A 64 -7.060 -4.675 -6.265 1.00 0.00 N ATOM 897 CA ALA A 64 -6.507 -5.926 -5.753 1.00 0.00 C ATOM 898 C ALA A 64 -7.615 -6.852 -5.240 1.00 0.00 C ATOM 899 O ALA A 64 -8.805 -6.639 -5.463 1.00 0.00 O ATOM 900 CB ALA A 64 -5.526 -5.571 -4.632 1.00 0.00 C ATOM 0 H ALA A 64 -6.965 -3.901 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.994 -6.465 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.092 -6.485 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.732 -4.939 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.054 -5.037 -3.842 1.00 0.00 H new ATOM 906 N SER A 65 -7.215 -7.920 -4.553 1.00 0.00 N ATOM 907 CA SER A 65 -8.109 -8.881 -3.919 1.00 0.00 C ATOM 908 C SER A 65 -7.403 -9.436 -2.681 1.00 0.00 C ATOM 909 O SER A 65 -6.179 -9.364 -2.609 1.00 0.00 O ATOM 910 CB SER A 65 -8.501 -9.972 -4.920 1.00 0.00 C ATOM 911 OG SER A 65 -9.193 -9.399 -6.013 1.00 0.00 O ATOM 0 H SER A 65 -6.229 -8.146 -4.419 1.00 0.00 H new ATOM 0 HA SER A 65 -9.039 -8.409 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.609 -10.490 -5.274 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.129 -10.717 -4.431 1.00 0.00 H new ATOM 0 HG SER A 65 -9.269 -8.431 -5.881 1.00 0.00 H new ATOM 917 N ASP A 66 -8.157 -9.977 -1.716 1.00 0.00 N ATOM 918 CA ASP A 66 -7.651 -10.433 -0.420 1.00 0.00 C ATOM 919 C ASP A 66 -6.302 -11.163 -0.479 1.00 0.00 C ATOM 920 O ASP A 66 -5.397 -10.848 0.292 1.00 0.00 O ATOM 921 CB ASP A 66 -8.715 -11.268 0.302 1.00 0.00 C ATOM 922 CG ASP A 66 -8.299 -11.570 1.740 1.00 0.00 C ATOM 923 OD1 ASP A 66 -7.939 -10.605 2.449 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.343 -12.764 2.104 1.00 0.00 O ATOM 0 H ASP A 66 -9.163 -10.112 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.446 -9.531 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.664 -10.732 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.875 -12.202 -0.237 1.00 0.00 H new ATOM 929 N GLU A 67 -6.166 -12.142 -1.380 1.00 0.00 N ATOM 930 CA GLU A 67 -4.913 -12.867 -1.587 1.00 0.00 C ATOM 931 C GLU A 67 -3.768 -11.878 -1.810 1.00 0.00 C ATOM 932 O GLU A 67 -2.741 -11.902 -1.128 1.00 0.00 O ATOM 933 CB GLU A 67 -5.069 -13.809 -2.793 1.00 0.00 C ATOM 934 CG GLU A 67 -3.767 -14.552 -3.129 1.00 0.00 C ATOM 935 CD GLU A 67 -3.939 -15.448 -4.350 1.00 0.00 C ATOM 936 OE1 GLU A 67 -3.871 -14.896 -5.471 1.00 0.00 O ATOM 937 OE2 GLU A 67 -4.154 -16.661 -4.142 1.00 0.00 O ATOM 0 H GLU A 67 -6.925 -12.453 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.678 -13.461 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.855 -14.535 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.390 -13.233 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.972 -13.830 -3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.458 -15.154 -2.274 1.00 0.00 H new ATOM 944 N GLU A 68 -3.987 -10.996 -2.780 1.00 0.00 N ATOM 945 CA GLU A 68 -3.034 -9.995 -3.180 1.00 0.00 C ATOM 946 C GLU A 68 -2.747 -9.075 -1.999 1.00 0.00 C ATOM 947 O GLU A 68 -1.585 -8.833 -1.718 1.00 0.00 O ATOM 948 CB GLU A 68 -3.560 -9.198 -4.377 1.00 0.00 C ATOM 949 CG GLU A 68 -4.196 -10.006 -5.518 1.00 0.00 C ATOM 950 CD GLU A 68 -3.181 -10.875 -6.257 1.00 0.00 C ATOM 951 OE1 GLU A 68 -2.637 -11.806 -5.625 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.951 -10.593 -7.454 1.00 0.00 O ATOM 0 H GLU A 68 -4.855 -10.966 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.108 -10.480 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.299 -8.484 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.734 -8.619 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.986 -10.640 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.666 -9.322 -6.225 1.00 0.00 H new ATOM 959 N LEU A 69 -3.779 -8.569 -1.311 1.00 0.00 N ATOM 960 CA LEU A 69 -3.651 -7.679 -0.185 1.00 0.00 C ATOM 961 C LEU A 69 -2.766 -8.281 0.910 1.00 0.00 C ATOM 962 O LEU A 69 -1.829 -7.626 1.373 1.00 0.00 O ATOM 963 CB LEU A 69 -5.061 -7.382 0.327 1.00 0.00 C ATOM 964 CG LEU A 69 -5.971 -6.570 -0.614 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.313 -6.313 0.083 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.370 -5.217 -1.001 1.00 0.00 C ATOM 0 H LEU A 69 -4.749 -8.784 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.161 -6.754 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.553 -8.330 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.976 -6.843 1.270 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.093 -7.158 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.962 -5.738 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.788 -7.265 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.144 -5.753 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.056 -4.691 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.205 -4.622 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.420 -5.374 -1.512 1.00 0.00 H new ATOM 978 N LYS A 70 -3.044 -9.522 1.328 1.00 0.00 N ATOM 979 CA LYS A 70 -2.223 -10.182 2.334 1.00 0.00 C ATOM 980 C LYS A 70 -0.783 -10.270 1.836 1.00 0.00 C ATOM 981 O LYS A 70 0.152 -9.955 2.570 1.00 0.00 O ATOM 982 CB LYS A 70 -2.775 -11.574 2.650 1.00 0.00 C ATOM 983 CG LYS A 70 -4.102 -11.486 3.414 1.00 0.00 C ATOM 984 CD LYS A 70 -4.557 -12.858 3.929 1.00 0.00 C ATOM 985 CE LYS A 70 -4.671 -13.907 2.817 1.00 0.00 C ATOM 986 NZ LYS A 70 -5.613 -13.491 1.768 1.00 0.00 N ATOM 0 H LYS A 70 -3.826 -10.080 0.985 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.245 -9.598 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.922 -12.128 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.048 -12.130 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.992 -10.801 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.870 -11.070 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.852 -13.210 4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.523 -12.753 4.422 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.689 -14.078 2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.998 -14.855 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.688 -14.241 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.548 -13.320 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.270 -12.617 1.320 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.599 -10.680 0.580 1.00 0.00 N ATOM 1001 CA ALA A 71 0.732 -10.763 0.006 1.00 0.00 C ATOM 1002 C ALA A 71 1.407 -9.389 -0.068 1.00 0.00 C ATOM 1003 O ALA A 71 2.620 -9.296 0.089 1.00 0.00 O ATOM 1004 CB ALA A 71 0.655 -11.429 -1.363 1.00 0.00 C ATOM 0 H ALA A 71 -1.352 -10.956 -0.050 1.00 0.00 H new ATOM 0 HA ALA A 71 1.356 -11.375 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.654 -11.491 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.242 -12.432 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.013 -10.840 -2.018 1.00 0.00 H new ATOM 1010 N LEU A 72 0.643 -8.320 -0.301 1.00 0.00 N ATOM 1011 CA LEU A 72 1.138 -6.957 -0.358 1.00 0.00 C ATOM 1012 C LEU A 72 1.718 -6.606 1.010 1.00 0.00 C ATOM 1013 O LEU A 72 2.851 -6.136 1.116 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.042 -6.052 -0.755 1.00 0.00 C ATOM 1015 CG LEU A 72 0.236 -4.933 -1.762 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.047 -5.388 -2.978 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -1.131 -4.406 -2.220 1.00 0.00 C ATOM 0 H LEU A 72 -0.362 -8.388 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 72 1.930 -6.825 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.829 -6.685 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.438 -5.597 0.153 1.00 0.00 H new ATOM 0 HG LEU A 72 0.842 -4.168 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.205 -4.542 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.011 -5.775 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.503 -6.172 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.988 -3.602 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.696 -5.215 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.681 -4.026 -1.359 1.00 0.00 H new ATOM 1029 N ALA A 73 0.931 -6.867 2.058 1.00 0.00 N ATOM 1030 CA ALA A 73 1.367 -6.675 3.431 1.00 0.00 C ATOM 1031 C ALA A 73 2.632 -7.489 3.697 1.00 0.00 C ATOM 1032 O ALA A 73 3.621 -6.943 4.179 1.00 0.00 O ATOM 1033 CB ALA A 73 0.236 -7.044 4.389 1.00 0.00 C ATOM 0 H ALA A 73 -0.023 -7.216 1.971 1.00 0.00 H new ATOM 0 HA ALA A 73 1.613 -5.626 3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.568 -6.898 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.628 -6.409 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.040 -8.088 4.241 1.00 0.00 H new ATOM 1039 N ASP A 74 2.611 -8.785 3.372 1.00 0.00 N ATOM 1040 CA ASP A 74 3.769 -9.653 3.532 1.00 0.00 C ATOM 1041 C ASP A 74 5.006 -9.034 2.875 1.00 0.00 C ATOM 1042 O ASP A 74 6.035 -8.897 3.530 1.00 0.00 O ATOM 1043 CB ASP A 74 3.474 -11.041 2.956 1.00 0.00 C ATOM 1044 CG ASP A 74 4.666 -11.972 3.146 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.753 -12.560 4.245 1.00 0.00 O ATOM 1046 OD2 ASP A 74 5.470 -12.072 2.195 1.00 0.00 O ATOM 0 H ASP A 74 1.790 -9.256 2.992 1.00 0.00 H new ATOM 0 HA ASP A 74 3.978 -9.762 4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.596 -11.463 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.239 -10.957 1.895 1.00 0.00 H new ATOM 1051 N TYR A 75 4.892 -8.642 1.600 1.00 0.00 N ATOM 1052 CA TYR A 75 5.969 -8.033 0.832 1.00 0.00 C ATOM 1053 C TYR A 75 6.552 -6.834 1.586 1.00 0.00 C ATOM 1054 O TYR A 75 7.724 -6.824 1.961 1.00 0.00 O ATOM 1055 CB TYR A 75 5.423 -7.632 -0.549 1.00 0.00 C ATOM 1056 CG TYR A 75 6.463 -7.210 -1.569 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.024 -5.921 -1.510 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.807 -8.071 -2.628 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.969 -5.517 -2.467 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.717 -7.647 -3.613 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.302 -6.373 -3.529 1.00 0.00 C ATOM 1062 OH TYR A 75 9.181 -5.967 -4.487 1.00 0.00 O ATOM 0 H TYR A 75 4.028 -8.744 1.068 1.00 0.00 H new ATOM 0 HA TYR A 75 6.782 -8.745 0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.862 -8.473 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.717 -6.812 -0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.727 -5.240 -0.726 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.372 -9.058 -2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.439 -4.548 -2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.966 -8.302 -4.435 1.00 0.00 H new ATOM 0 HH TYR A 75 8.898 -5.099 -4.844 1.00 0.00 H new ATOM 1072 N MET A 76 5.727 -5.812 1.820 1.00 0.00 N ATOM 1073 CA MET A 76 6.141 -4.603 2.494 1.00 0.00 C ATOM 1074 C MET A 76 6.601 -4.842 3.933 1.00 0.00 C ATOM 1075 O MET A 76 7.365 -4.040 4.465 1.00 0.00 O ATOM 1076 CB MET A 76 5.001 -3.598 2.353 1.00 0.00 C ATOM 1077 CG MET A 76 5.301 -2.725 1.131 1.00 0.00 C ATOM 1078 SD MET A 76 3.931 -1.765 0.455 1.00 0.00 S ATOM 1079 CE MET A 76 3.069 -3.076 -0.423 1.00 0.00 C ATOM 0 H MET A 76 4.746 -5.811 1.540 1.00 0.00 H new ATOM 0 HA MET A 76 7.037 -4.194 2.027 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.049 -4.114 2.230 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.918 -2.985 3.250 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.101 -2.034 1.397 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.686 -3.369 0.341 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.327 -2.639 -1.091 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.785 -3.656 -1.005 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.572 -3.729 0.295 1.00 0.00 H new ATOM 1089 N SER A 77 6.166 -5.938 4.555 1.00 0.00 N ATOM 1090 CA SER A 77 6.611 -6.335 5.883 1.00 0.00 C ATOM 1091 C SER A 77 7.887 -7.184 5.834 1.00 0.00 C ATOM 1092 O SER A 77 8.227 -7.787 6.853 1.00 0.00 O ATOM 1093 CB SER A 77 5.499 -7.100 6.604 1.00 0.00 C ATOM 1094 OG SER A 77 5.809 -7.230 7.981 1.00 0.00 O ATOM 0 H SER A 77 5.488 -6.579 4.143 1.00 0.00 H new ATOM 0 HA SER A 77 6.845 -5.424 6.435 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.551 -6.576 6.485 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.377 -8.086 6.156 1.00 0.00 H new ATOM 0 HG SER A 77 6.741 -7.517 8.081 1.00 0.00 H new ATOM 1100 N LYS A 78 8.571 -7.276 4.688 1.00 0.00 N ATOM 1101 CA LYS A 78 9.817 -8.013 4.541 1.00 0.00 C ATOM 1102 C LYS A 78 10.708 -7.123 3.684 1.00 0.00 C ATOM 1103 O LYS A 78 11.357 -7.570 2.740 1.00 0.00 O ATOM 1104 CB LYS A 78 9.546 -9.379 3.895 1.00 0.00 C ATOM 1105 CG LYS A 78 8.844 -10.326 4.877 1.00 0.00 C ATOM 1106 CD LYS A 78 8.616 -11.698 4.231 1.00 0.00 C ATOM 1107 CE LYS A 78 8.210 -12.748 5.272 1.00 0.00 C ATOM 1108 NZ LYS A 78 6.996 -12.359 6.011 1.00 0.00 N ATOM 0 H LYS A 78 8.263 -6.829 3.824 1.00 0.00 H new ATOM 0 HA LYS A 78 10.301 -8.230 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.928 -9.248 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.486 -9.822 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.447 -10.438 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.889 -9.899 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.839 -11.619 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.526 -12.019 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.040 -13.703 4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.030 -12.896 5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.769 -13.090 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.159 -11.452 6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.202 -12.260 5.347 1.00 0.00 H new ATOM 1122 N LEU A 79 10.689 -5.837 4.027 1.00 0.00 N ATOM 1123 CA LEU A 79 11.309 -4.752 3.349 1.00 0.00 C ATOM 1124 C LEU A 79 11.819 -3.816 4.440 1.00 0.00 C ATOM 1125 O LEU A 79 11.120 -3.759 5.478 1.00 0.00 O ATOM 1126 CB LEU A 79 10.165 -4.100 2.562 1.00 0.00 C ATOM 1127 CG LEU A 79 10.554 -3.912 1.106 1.00 0.00 C ATOM 1128 CD1 LEU A 79 9.378 -3.379 0.283 1.00 0.00 C ATOM 1129 CD2 LEU A 79 11.725 -2.946 1.005 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.865 -3.169 4.218 1.00 0.00 O ATOM 0 H LEU A 79 10.191 -5.524 4.861 1.00 0.00 H new ATOM 0 HA LEU A 79 12.133 -5.020 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.272 -4.721 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.916 -3.136 3.005 1.00 0.00 H new ATOM 0 HG LEU A 79 10.842 -4.884 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.687 -3.255 -0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.549 -4.085 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.059 -2.417 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.000 -2.815 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.440 -1.983 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.576 -3.347 1.556 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.834 4.000 -0.444 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.338 4.931 2.776 1.00 5.52 C HETATM 1145 CHB HEC A 80 -0.068 0.866 0.643 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.863 2.919 -3.630 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.778 7.252 -1.413 1.00 10.53 C HETATM 1148 NA HEC A 80 0.801 3.047 1.329 1.00 6.22 N HETATM 1149 C1A HEC A 80 1.078 3.594 2.556 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.879 2.633 3.605 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.338 1.538 3.031 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.336 1.776 1.605 1.00 9.92 C HETATM 1153 CMA HEC A 80 -0.194 0.315 3.716 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.088 2.907 5.062 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.126 3.613 5.668 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.104 4.036 7.111 1.00 22.27 C HETATM 1157 O1A HEC A 80 -0.780 4.681 7.665 1.00 18.65 O HETATM 1158 O2A HEC A 80 1.148 3.698 7.663 1.00 17.21 O HETATM 1159 NB HEC A 80 0.494 2.260 -1.303 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.056 1.082 -0.724 1.00 10.91 C HETATM 1161 C2B HEC A 80 -0.126 0.069 -1.732 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.446 0.564 -2.862 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.615 1.980 -2.638 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.708 -1.289 -1.476 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.863 -0.127 -4.137 1.00 6.35 C HETATM 1166 CBB HEC A 80 0.396 -1.564 -4.399 1.00 6.48 C HETATM 1167 NC HEC A 80 0.780 4.911 -2.185 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.796 4.296 -3.423 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.782 5.285 -4.465 1.00 5.77 C HETATM 1170 C3C HEC A 80 0.924 6.499 -3.856 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.828 6.273 -2.419 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.739 4.949 -5.934 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.199 7.827 -4.516 1.00 3.39 C HETATM 1174 CBC HEC A 80 -0.033 8.442 -5.183 1.00 10.94 C HETATM 1175 ND HEC A 80 0.876 5.729 0.508 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.762 6.986 -0.037 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.531 7.944 1.036 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.633 7.262 2.219 1.00 5.11 C HETATM 1179 C4D HEC A 80 1.016 5.923 1.868 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.123 9.375 0.813 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.240 7.723 3.612 1.00 9.04 C HETATM 1182 CBD HEC A 80 1.020 7.295 4.877 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.791 8.338 5.964 1.00 6.46 C HETATM 1184 O1D HEC A 80 -0.106 8.145 6.780 1.00 8.25 O HETATM 1185 O2D HEC A 80 1.502 9.341 5.968 1.00 15.15 O HETATM 0 HMD3 HEC A 80 0.885 9.883 0.222 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.828 9.404 0.281 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.016 9.877 1.775 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.614 4.355 -6.197 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.165 4.379 -6.151 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 0.736 5.869 -6.518 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 -0.094 -1.816 -0.746 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.721 -1.183 -1.089 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.733 -1.856 -2.407 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.602 -0.153 4.295 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -1.009 0.597 4.382 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.562 -0.389 2.970 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.683 6.315 5.216 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 2.083 7.207 4.654 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 -0.406 7.766 -5.952 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.809 8.604 -4.435 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.237 9.395 -5.637 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 0.763 -2.216 -3.606 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -0.693 -1.595 -4.419 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 0.786 -1.904 -5.358 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.367 4.492 5.070 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.989 2.949 5.621 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.248 8.813 3.594 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.794 7.414 3.763 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.269 1.970 5.589 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.976 3.525 5.196 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.750 8.296 -1.726 1.00 10.53 H new HETATM 0 HHC HEC A 80 1.124 2.560 -4.625 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.508 -0.073 0.977 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.820 5.219 3.710 1.00 5.52 H new