USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=27 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 95:sc= 1.83 USER MOD Set 1.2: A 49 TYR OH : rot 162:sc= 1.18 USER MOD Set 1.3: A 54 LYS NZ :NH3+ 166:sc= 0.753 (180deg=-0.0147) USER MOD Set 1.4: A 57 MET CE :methyl 173:sc= -1.41 (180deg=-1.96) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 156:sc= 1.01 (180deg=0.595) USER MOD Set 2.2: A 75 TYR OH : rot 167:sc= 0.203 USER MOD Single : A 1 ALA N :NH3+ -176:sc= 1.23 (180deg=1.2) USER MOD Single : A 7 TYR OH : rot -164:sc= 1.27 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 82:sc= 1.09 USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0.307 (180deg=0.298) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 41:sc= 0.432 USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.115) USER MOD Single : A 30 LYS NZ :NH3+ -112:sc= 0.283 (180deg=-0.00564) USER MOD Single : A 32 GLN : amide:sc= 2.17 K(o=2.2,f=-1.4) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= -0.124 (180deg=-0.913) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0566) USER MOD Single : A 41 MET CE :methyl 144:sc= -1.79 (180deg=-4.81!) USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.035) USER MOD Single : A 48 SER OG : rot -82:sc= 1.32 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 72:sc= 0.769 USER MOD Single : A 59 ASN : amide:sc= 0.501 K(o=0.5,f=-0.032) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0244) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00332) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -174:sc= -0.643 (180deg=-0.852) USER MOD Single : A 77 SER OG : rot -38:sc= 0.685 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0.415 (180deg=0.379) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.808 -12.745 -8.934 1.00 0.00 N ATOM 2 CA ALA A 1 -2.448 -12.170 -8.946 1.00 0.00 C ATOM 3 C ALA A 1 -1.903 -12.247 -7.522 1.00 0.00 C ATOM 4 O ALA A 1 -2.522 -12.947 -6.724 1.00 0.00 O ATOM 5 CB ALA A 1 -2.462 -10.739 -9.495 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.183 -12.770 -9.904 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.773 -13.711 -8.551 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.427 -12.159 -8.338 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.794 -12.734 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.448 -10.339 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.848 -10.744 -10.514 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.100 -10.115 -8.869 1.00 0.00 H new ATOM 13 N ASP A 2 -0.809 -11.552 -7.196 1.00 0.00 N ATOM 14 CA ASP A 2 -0.253 -11.535 -5.850 1.00 0.00 C ATOM 15 C ASP A 2 0.515 -10.234 -5.635 1.00 0.00 C ATOM 16 O ASP A 2 1.114 -9.720 -6.579 1.00 0.00 O ATOM 17 CB ASP A 2 0.663 -12.744 -5.613 1.00 0.00 C ATOM 18 CG ASP A 2 2.021 -12.574 -6.290 1.00 0.00 C ATOM 19 OD1 ASP A 2 2.099 -12.896 -7.495 1.00 0.00 O ATOM 20 OD2 ASP A 2 2.942 -12.097 -5.592 1.00 0.00 O ATOM 0 H ASP A 2 -0.286 -10.985 -7.864 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.072 -11.596 -5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.807 -12.885 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.180 -13.645 -5.991 1.00 0.00 H new ATOM 25 N GLY A 3 0.472 -9.731 -4.398 1.00 0.00 N ATOM 26 CA GLY A 3 1.134 -8.537 -3.884 1.00 0.00 C ATOM 27 C GLY A 3 2.325 -8.037 -4.700 1.00 0.00 C ATOM 28 O GLY A 3 2.313 -6.908 -5.192 1.00 0.00 O ATOM 0 H GLY A 3 -0.075 -10.192 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.398 -7.735 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.473 -8.741 -2.868 1.00 0.00 H new ATOM 32 N ALA A 4 3.352 -8.882 -4.839 1.00 0.00 N ATOM 33 CA ALA A 4 4.578 -8.552 -5.553 1.00 0.00 C ATOM 34 C ALA A 4 4.298 -7.866 -6.891 1.00 0.00 C ATOM 35 O ALA A 4 4.914 -6.848 -7.203 1.00 0.00 O ATOM 36 CB ALA A 4 5.409 -9.820 -5.762 1.00 0.00 C ATOM 0 H ALA A 4 3.349 -9.826 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 4 5.140 -7.844 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.326 -9.570 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.660 -10.254 -4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.834 -10.540 -6.344 1.00 0.00 H new ATOM 42 N ALA A 5 3.360 -8.411 -7.671 1.00 0.00 N ATOM 43 CA ALA A 5 3.009 -7.871 -8.975 1.00 0.00 C ATOM 44 C ALA A 5 2.483 -6.441 -8.860 1.00 0.00 C ATOM 45 O ALA A 5 2.841 -5.585 -9.664 1.00 0.00 O ATOM 46 CB ALA A 5 1.974 -8.779 -9.646 1.00 0.00 C ATOM 0 H ALA A 5 2.826 -9.240 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 5 3.908 -7.838 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.712 -8.373 -10.623 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.392 -9.778 -9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.080 -8.833 -9.024 1.00 0.00 H new ATOM 52 N LEU A 6 1.633 -6.181 -7.863 1.00 0.00 N ATOM 53 CA LEU A 6 1.049 -4.864 -7.661 1.00 0.00 C ATOM 54 C LEU A 6 2.134 -3.871 -7.242 1.00 0.00 C ATOM 55 O LEU A 6 2.184 -2.744 -7.741 1.00 0.00 O ATOM 56 CB LEU A 6 -0.071 -4.908 -6.609 1.00 0.00 C ATOM 57 CG LEU A 6 -1.208 -5.890 -6.953 1.00 0.00 C ATOM 58 CD1 LEU A 6 -1.128 -7.155 -6.091 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.570 -5.235 -6.710 1.00 0.00 C ATOM 0 H LEU A 6 1.335 -6.877 -7.180 1.00 0.00 H new ATOM 0 HA LEU A 6 0.609 -4.537 -8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.358 -5.186 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.489 -3.908 -6.495 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.097 -6.157 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.943 -7.828 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.174 -7.654 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.210 -6.884 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.363 -5.941 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.654 -4.948 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.665 -4.349 -7.337 1.00 0.00 H new ATOM 71 N TYR A 7 3.009 -4.291 -6.320 1.00 0.00 N ATOM 72 CA TYR A 7 4.046 -3.420 -5.783 1.00 0.00 C ATOM 73 C TYR A 7 4.853 -2.723 -6.876 1.00 0.00 C ATOM 74 O TYR A 7 5.179 -1.544 -6.755 1.00 0.00 O ATOM 75 CB TYR A 7 4.984 -4.161 -4.834 1.00 0.00 C ATOM 76 CG TYR A 7 5.731 -3.181 -3.945 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.055 -2.561 -2.876 1.00 0.00 C ATOM 78 CD2 TYR A 7 6.981 -2.679 -4.356 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.615 -1.439 -2.239 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.551 -1.576 -3.699 1.00 0.00 C ATOM 81 CZ TYR A 7 6.860 -0.943 -2.653 1.00 0.00 C ATOM 82 OH TYR A 7 7.396 0.142 -2.030 1.00 0.00 O ATOM 0 H TYR A 7 3.014 -5.235 -5.933 1.00 0.00 H new ATOM 0 HA TYR A 7 3.518 -2.653 -5.217 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.413 -4.856 -4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.696 -4.755 -5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.103 -2.949 -2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.503 -3.144 -5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.085 -0.958 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.523 -1.214 -3.999 1.00 0.00 H new ATOM 0 HH TYR A 7 8.118 0.511 -2.580 1.00 0.00 H new ATOM 92 N LYS A 8 5.174 -3.453 -7.942 1.00 0.00 N ATOM 93 CA LYS A 8 5.922 -2.916 -9.078 1.00 0.00 C ATOM 94 C LYS A 8 5.419 -1.527 -9.508 1.00 0.00 C ATOM 95 O LYS A 8 6.223 -0.649 -9.806 1.00 0.00 O ATOM 96 CB LYS A 8 5.921 -3.903 -10.253 1.00 0.00 C ATOM 97 CG LYS A 8 6.439 -5.307 -9.898 1.00 0.00 C ATOM 98 CD LYS A 8 7.859 -5.299 -9.308 1.00 0.00 C ATOM 99 CE LYS A 8 8.353 -6.720 -9.005 1.00 0.00 C ATOM 100 NZ LYS A 8 7.697 -7.291 -7.814 1.00 0.00 N ATOM 0 H LYS A 8 4.922 -4.436 -8.043 1.00 0.00 H new ATOM 0 HA LYS A 8 6.953 -2.784 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.905 -3.990 -10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.534 -3.494 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.758 -5.768 -9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.428 -5.928 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.542 -4.817 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.870 -4.707 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.163 -7.361 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.432 -6.704 -8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.726 -8.329 -7.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.195 -6.973 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.707 -6.974 -7.777 1.00 0.00 H new ATOM 114 N SER A 9 4.101 -1.306 -9.520 1.00 0.00 N ATOM 115 CA SER A 9 3.519 -0.010 -9.853 1.00 0.00 C ATOM 116 C SER A 9 3.721 0.997 -8.710 1.00 0.00 C ATOM 117 O SER A 9 4.056 2.163 -8.914 1.00 0.00 O ATOM 118 CB SER A 9 2.020 -0.218 -10.097 1.00 0.00 C ATOM 119 OG SER A 9 1.829 -1.243 -11.054 1.00 0.00 O ATOM 0 H SER A 9 3.410 -2.023 -9.298 1.00 0.00 H new ATOM 0 HA SER A 9 4.008 0.392 -10.740 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.523 -0.482 -9.163 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.567 0.709 -10.448 1.00 0.00 H new ATOM 0 HG SER A 9 0.870 -1.374 -11.206 1.00 0.00 H new ATOM 125 N CYS A 10 3.502 0.504 -7.494 1.00 0.00 N ATOM 126 CA CYS A 10 3.537 1.186 -6.209 1.00 0.00 C ATOM 127 C CYS A 10 4.868 1.893 -5.996 1.00 0.00 C ATOM 128 O CYS A 10 4.928 2.961 -5.377 1.00 0.00 O ATOM 129 CB CYS A 10 3.330 0.097 -5.166 1.00 0.00 C ATOM 130 SG CYS A 10 2.484 0.472 -3.666 1.00 0.00 S ATOM 0 H CYS A 10 3.273 -0.483 -7.376 1.00 0.00 H new ATOM 0 HA CYS A 10 2.770 1.958 -6.147 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.790 -0.718 -5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.314 -0.287 -4.897 1.00 0.00 H new ATOM 135 N ILE A 11 5.934 1.294 -6.543 1.00 0.00 N ATOM 136 CA ILE A 11 7.274 1.862 -6.548 1.00 0.00 C ATOM 137 C ILE A 11 7.209 3.342 -6.942 1.00 0.00 C ATOM 138 O ILE A 11 7.936 4.155 -6.378 1.00 0.00 O ATOM 139 CB ILE A 11 8.202 1.077 -7.499 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.480 -0.325 -6.929 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.540 1.801 -7.732 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.258 -1.235 -7.885 1.00 0.00 C ATOM 0 H ILE A 11 5.880 0.384 -7.001 1.00 0.00 H new ATOM 0 HA ILE A 11 7.692 1.785 -5.544 1.00 0.00 H new ATOM 0 HB ILE A 11 7.687 0.999 -8.457 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.041 -0.225 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.532 -0.801 -6.680 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.160 1.211 -8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.352 2.780 -8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.057 1.925 -6.780 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.417 -2.206 -7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.690 -1.366 -8.806 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.222 -0.782 -8.115 1.00 0.00 H new ATOM 154 N GLY A 12 6.327 3.702 -7.880 1.00 0.00 N ATOM 155 CA GLY A 12 6.163 5.077 -8.321 1.00 0.00 C ATOM 156 C GLY A 12 5.992 6.070 -7.166 1.00 0.00 C ATOM 157 O GLY A 12 6.495 7.189 -7.256 1.00 0.00 O ATOM 0 H GLY A 12 5.709 3.041 -8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.031 5.367 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.294 5.140 -8.976 1.00 0.00 H new ATOM 161 N CYS A 13 5.297 5.682 -6.085 1.00 0.00 N ATOM 162 CA CYS A 13 5.017 6.589 -4.972 1.00 0.00 C ATOM 163 C CYS A 13 5.751 6.199 -3.690 1.00 0.00 C ATOM 164 O CYS A 13 5.976 7.057 -2.842 1.00 0.00 O ATOM 165 CB CYS A 13 3.508 6.647 -4.742 1.00 0.00 C ATOM 166 SG CYS A 13 2.907 8.208 -4.050 1.00 0.00 S ATOM 0 H CYS A 13 4.920 4.742 -5.963 1.00 0.00 H new ATOM 0 HA CYS A 13 5.390 7.577 -5.242 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.003 6.468 -5.691 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.225 5.835 -4.072 1.00 0.00 H new ATOM 171 N HIS A 14 6.129 4.922 -3.544 1.00 0.00 N ATOM 172 CA HIS A 14 6.793 4.401 -2.348 1.00 0.00 C ATOM 173 C HIS A 14 8.282 4.087 -2.539 1.00 0.00 C ATOM 174 O HIS A 14 9.043 4.087 -1.569 1.00 0.00 O ATOM 175 CB HIS A 14 6.019 3.171 -1.878 1.00 0.00 C ATOM 176 CG HIS A 14 4.727 3.545 -1.211 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.700 4.115 0.048 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.422 3.526 -1.631 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.415 4.336 0.353 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.572 3.913 -0.591 1.00 0.00 N ATOM 0 H HIS A 14 5.979 4.215 -4.264 1.00 0.00 H new ATOM 0 HA HIS A 14 6.780 5.184 -1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.814 2.524 -2.730 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.634 2.598 -1.184 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.507 4.327 0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.097 3.251 -2.624 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.094 4.808 1.270 1.00 0.00 H new ATOM 188 N GLY A 15 8.733 3.890 -3.775 1.00 0.00 N ATOM 189 CA GLY A 15 10.113 3.530 -4.055 1.00 0.00 C ATOM 190 C GLY A 15 10.320 2.041 -3.788 1.00 0.00 C ATOM 191 O GLY A 15 9.364 1.318 -3.509 1.00 0.00 O ATOM 0 H GLY A 15 8.150 3.976 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.356 3.761 -5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.786 4.118 -3.432 1.00 0.00 H new ATOM 195 N ALA A 16 11.566 1.570 -3.881 1.00 0.00 N ATOM 196 CA ALA A 16 11.879 0.165 -3.659 1.00 0.00 C ATOM 197 C ALA A 16 11.578 -0.225 -2.209 1.00 0.00 C ATOM 198 O ALA A 16 10.575 -0.877 -1.934 1.00 0.00 O ATOM 199 CB ALA A 16 13.336 -0.114 -4.045 1.00 0.00 C ATOM 0 H ALA A 16 12.375 2.148 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 16 11.247 -0.454 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.562 -1.167 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.486 0.125 -5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.998 0.501 -3.436 1.00 0.00 H new ATOM 205 N ASP A 17 12.412 0.227 -1.270 1.00 0.00 N ATOM 206 CA ASP A 17 12.309 -0.082 0.154 1.00 0.00 C ATOM 207 C ASP A 17 11.296 0.846 0.822 1.00 0.00 C ATOM 208 O ASP A 17 11.610 1.526 1.794 1.00 0.00 O ATOM 209 CB ASP A 17 13.687 0.034 0.820 1.00 0.00 C ATOM 210 CG ASP A 17 14.691 -0.980 0.284 1.00 0.00 C ATOM 211 OD1 ASP A 17 15.153 -0.768 -0.859 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.996 -1.936 1.030 1.00 0.00 O ATOM 0 H ASP A 17 13.200 0.836 -1.488 1.00 0.00 H new ATOM 0 HA ASP A 17 11.959 -1.107 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.076 1.040 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.578 -0.104 1.896 1.00 0.00 H new ATOM 217 N GLY A 18 10.108 0.911 0.225 1.00 0.00 N ATOM 218 CA GLY A 18 8.932 1.675 0.621 1.00 0.00 C ATOM 219 C GLY A 18 9.185 2.889 1.524 1.00 0.00 C ATOM 220 O GLY A 18 8.623 2.952 2.620 1.00 0.00 O ATOM 0 H GLY A 18 9.930 0.380 -0.627 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.427 2.019 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.244 1.003 1.135 1.00 0.00 H new ATOM 224 N SER A 19 9.971 3.869 1.057 1.00 0.00 N ATOM 225 CA SER A 19 10.357 5.041 1.835 1.00 0.00 C ATOM 226 C SER A 19 10.401 6.366 1.066 1.00 0.00 C ATOM 227 O SER A 19 10.680 7.385 1.696 1.00 0.00 O ATOM 228 CB SER A 19 11.748 4.803 2.432 1.00 0.00 C ATOM 229 OG SER A 19 11.733 3.760 3.379 1.00 0.00 O ATOM 0 H SER A 19 10.359 3.864 0.114 1.00 0.00 H new ATOM 0 HA SER A 19 9.575 5.151 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.451 4.561 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.104 5.719 2.904 1.00 0.00 H new ATOM 0 HG SER A 19 11.784 2.898 2.917 1.00 0.00 H new ATOM 235 N LYS A 20 10.189 6.410 -0.256 1.00 0.00 N ATOM 236 CA LYS A 20 10.292 7.706 -0.929 1.00 0.00 C ATOM 237 C LYS A 20 9.141 8.624 -0.506 1.00 0.00 C ATOM 238 O LYS A 20 8.101 8.154 -0.045 1.00 0.00 O ATOM 239 CB LYS A 20 10.393 7.564 -2.457 1.00 0.00 C ATOM 240 CG LYS A 20 9.031 7.373 -3.133 1.00 0.00 C ATOM 241 CD LYS A 20 9.159 7.071 -4.634 1.00 0.00 C ATOM 242 CE LYS A 20 9.274 8.352 -5.467 1.00 0.00 C ATOM 243 NZ LYS A 20 8.001 9.098 -5.500 1.00 0.00 N ATOM 0 H LYS A 20 9.959 5.613 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 20 11.224 8.173 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.875 8.451 -2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.033 6.715 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.498 6.557 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.431 8.273 -2.996 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.036 6.447 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.292 6.500 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.057 8.987 -5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.574 8.099 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.103 9.931 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.248 8.484 -5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.754 9.405 -4.538 1.00 0.00 H new ATOM 257 N ALA A 21 9.323 9.935 -0.676 1.00 0.00 N ATOM 258 CA ALA A 21 8.262 10.892 -0.412 1.00 0.00 C ATOM 259 C ALA A 21 7.130 10.600 -1.399 1.00 0.00 C ATOM 260 O ALA A 21 7.357 10.578 -2.610 1.00 0.00 O ATOM 261 CB ALA A 21 8.788 12.320 -0.579 1.00 0.00 C ATOM 0 H ALA A 21 10.197 10.352 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 21 7.897 10.801 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.985 13.029 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.606 12.491 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.148 12.458 -1.598 1.00 0.00 H new ATOM 267 N ALA A 22 5.936 10.330 -0.872 1.00 0.00 N ATOM 268 CA ALA A 22 4.758 10.036 -1.667 1.00 0.00 C ATOM 269 C ALA A 22 4.109 11.370 -2.050 1.00 0.00 C ATOM 270 O ALA A 22 4.815 12.327 -2.369 1.00 0.00 O ATOM 271 CB ALA A 22 3.858 9.107 -0.842 1.00 0.00 C ATOM 0 H ALA A 22 5.764 10.311 0.133 1.00 0.00 H new ATOM 0 HA ALA A 22 4.979 9.515 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.962 8.867 -1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.398 8.189 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.574 9.604 0.085 1.00 0.00 H new ATOM 277 N MET A 23 2.775 11.472 -2.017 1.00 0.00 N ATOM 278 CA MET A 23 2.090 12.738 -2.253 1.00 0.00 C ATOM 279 C MET A 23 2.281 13.624 -1.014 1.00 0.00 C ATOM 280 O MET A 23 1.354 13.840 -0.236 1.00 0.00 O ATOM 281 CB MET A 23 0.612 12.477 -2.573 1.00 0.00 C ATOM 282 CG MET A 23 0.441 11.988 -4.015 1.00 0.00 C ATOM 283 SD MET A 23 -1.244 11.469 -4.427 1.00 0.00 S ATOM 284 CE MET A 23 -1.247 11.757 -6.210 1.00 0.00 C ATOM 0 H MET A 23 2.151 10.687 -1.828 1.00 0.00 H new ATOM 0 HA MET A 23 2.508 13.260 -3.114 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.213 11.734 -1.883 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.037 13.391 -2.424 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.740 12.785 -4.695 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.119 11.152 -4.186 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.219 11.486 -6.621 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.050 12.811 -6.409 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.473 11.149 -6.678 1.00 0.00 H new ATOM 294 N GLY A 24 3.500 14.130 -0.829 1.00 0.00 N ATOM 295 CA GLY A 24 3.896 14.921 0.321 1.00 0.00 C ATOM 296 C GLY A 24 4.463 14.008 1.409 1.00 0.00 C ATOM 297 O GLY A 24 4.790 12.846 1.162 1.00 0.00 O ATOM 0 H GLY A 24 4.257 13.993 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.643 15.658 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.039 15.472 0.707 1.00 0.00 H new ATOM 301 N SER A 25 4.585 14.540 2.625 1.00 0.00 N ATOM 302 CA SER A 25 5.097 13.823 3.778 1.00 0.00 C ATOM 303 C SER A 25 4.139 12.687 4.134 1.00 0.00 C ATOM 304 O SER A 25 2.992 12.960 4.496 1.00 0.00 O ATOM 305 CB SER A 25 5.194 14.825 4.931 1.00 0.00 C ATOM 306 OG SER A 25 3.995 15.578 4.970 1.00 0.00 O ATOM 0 H SER A 25 4.323 15.503 2.834 1.00 0.00 H new ATOM 0 HA SER A 25 6.076 13.390 3.573 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.345 14.303 5.876 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.051 15.483 4.790 1.00 0.00 H new ATOM 0 HG SER A 25 3.231 14.985 4.809 1.00 0.00 H new ATOM 312 N ALA A 26 4.591 11.436 4.031 1.00 0.00 N ATOM 313 CA ALA A 26 3.801 10.259 4.357 1.00 0.00 C ATOM 314 C ALA A 26 4.669 9.290 5.152 1.00 0.00 C ATOM 315 O ALA A 26 5.886 9.273 4.968 1.00 0.00 O ATOM 316 CB ALA A 26 3.323 9.605 3.061 1.00 0.00 C ATOM 0 H ALA A 26 5.534 11.214 3.712 1.00 0.00 H new ATOM 0 HA ALA A 26 2.933 10.535 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.730 8.721 3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.713 10.313 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.185 9.314 2.461 1.00 0.00 H new ATOM 322 N LYS A 27 4.067 8.500 6.044 1.00 0.00 N ATOM 323 CA LYS A 27 4.752 7.495 6.801 1.00 0.00 C ATOM 324 C LYS A 27 5.345 6.479 5.822 1.00 0.00 C ATOM 325 O LYS A 27 4.648 6.048 4.903 1.00 0.00 O ATOM 326 CB LYS A 27 3.690 6.813 7.656 1.00 0.00 C ATOM 327 CG LYS A 27 3.048 7.659 8.758 1.00 0.00 C ATOM 328 CD LYS A 27 4.059 8.191 9.782 1.00 0.00 C ATOM 329 CE LYS A 27 3.341 8.856 10.963 1.00 0.00 C ATOM 330 NZ LYS A 27 2.496 9.984 10.529 1.00 0.00 N ATOM 0 H LYS A 27 3.070 8.556 6.251 1.00 0.00 H new ATOM 0 HA LYS A 27 5.550 7.910 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.899 6.457 6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.139 5.934 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.526 8.500 8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.298 7.061 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.682 7.373 10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.724 8.910 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.725 8.117 11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.079 9.211 11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.136 10.490 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.059 10.635 9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.696 9.624 9.971 1.00 0.00 H new ATOM 344 N PRO A 28 6.614 6.083 5.984 1.00 0.00 N ATOM 345 CA PRO A 28 7.212 5.117 5.091 1.00 0.00 C ATOM 346 C PRO A 28 6.599 3.744 5.361 1.00 0.00 C ATOM 347 O PRO A 28 6.306 3.388 6.501 1.00 0.00 O ATOM 348 CB PRO A 28 8.710 5.171 5.394 1.00 0.00 C ATOM 349 CG PRO A 28 8.744 5.541 6.878 1.00 0.00 C ATOM 350 CD PRO A 28 7.548 6.484 7.022 1.00 0.00 C ATOM 0 HA PRO A 28 7.037 5.324 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.195 4.214 5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.220 5.914 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.645 4.663 7.516 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.679 6.030 7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.097 6.399 8.011 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.850 7.524 6.898 1.00 0.00 H new ATOM 358 N VAL A 29 6.388 2.980 4.294 1.00 0.00 N ATOM 359 CA VAL A 29 5.831 1.634 4.327 1.00 0.00 C ATOM 360 C VAL A 29 6.858 0.687 4.937 1.00 0.00 C ATOM 361 O VAL A 29 6.484 -0.249 5.639 1.00 0.00 O ATOM 362 CB VAL A 29 5.525 1.245 2.874 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.385 -0.257 2.608 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.229 1.929 2.434 1.00 0.00 C ATOM 0 H VAL A 29 6.609 3.293 3.349 1.00 0.00 H new ATOM 0 HA VAL A 29 4.924 1.582 4.929 1.00 0.00 H new ATOM 0 HB VAL A 29 6.394 1.574 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.170 -0.421 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.315 -0.761 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.571 -0.659 3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.006 1.657 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.411 1.608 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.345 3.010 2.507 1.00 0.00 H new ATOM 374 N LYS A 30 8.130 0.941 4.615 1.00 0.00 N ATOM 375 CA LYS A 30 9.324 0.247 5.066 1.00 0.00 C ATOM 376 C LYS A 30 9.087 -0.546 6.355 1.00 0.00 C ATOM 377 O LYS A 30 9.186 -0.009 7.457 1.00 0.00 O ATOM 378 CB LYS A 30 10.408 1.315 5.214 1.00 0.00 C ATOM 379 CG LYS A 30 11.762 0.821 5.742 1.00 0.00 C ATOM 380 CD LYS A 30 12.253 -0.355 4.893 1.00 0.00 C ATOM 381 CE LYS A 30 13.718 -0.713 5.139 1.00 0.00 C ATOM 382 NZ LYS A 30 14.095 -1.886 4.329 1.00 0.00 N ATOM 0 H LYS A 30 8.362 1.703 3.978 1.00 0.00 H new ATOM 0 HA LYS A 30 9.632 -0.510 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.567 1.783 4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.039 2.091 5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.491 1.631 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.666 0.514 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.634 -1.227 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.118 -0.113 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.355 0.134 4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.876 -0.925 6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.276 -2.697 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.321 -2.120 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.955 -1.670 3.785 1.00 0.00 H new ATOM 396 N GLY A 31 8.741 -1.821 6.188 1.00 0.00 N ATOM 397 CA GLY A 31 8.457 -2.783 7.229 1.00 0.00 C ATOM 398 C GLY A 31 7.661 -2.246 8.420 1.00 0.00 C ATOM 399 O GLY A 31 8.064 -2.518 9.549 1.00 0.00 O ATOM 0 H GLY A 31 8.648 -2.227 5.257 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.906 -3.615 6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.401 -3.185 7.596 1.00 0.00 H new ATOM 403 N GLN A 32 6.539 -1.528 8.213 1.00 0.00 N ATOM 404 CA GLN A 32 5.717 -1.108 9.374 1.00 0.00 C ATOM 405 C GLN A 32 5.384 -2.351 10.204 1.00 0.00 C ATOM 406 O GLN A 32 5.633 -2.451 11.402 1.00 0.00 O ATOM 407 CB GLN A 32 4.416 -0.358 9.015 1.00 0.00 C ATOM 408 CG GLN A 32 4.579 0.644 7.876 1.00 0.00 C ATOM 409 CD GLN A 32 3.413 1.626 7.739 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.280 1.280 8.057 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.672 2.827 7.220 1.00 0.00 N ATOM 0 H GLN A 32 6.190 -1.236 7.300 1.00 0.00 H new ATOM 0 HA GLN A 32 6.315 -0.388 9.933 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.652 -1.085 8.740 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.054 0.166 9.899 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.499 1.208 8.031 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.693 0.098 6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.628 3.078 6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.914 3.494 7.075 1.00 0.00 H new ATOM 420 N GLY A 33 4.810 -3.294 9.473 1.00 0.00 N ATOM 421 CA GLY A 33 4.491 -4.658 9.870 1.00 0.00 C ATOM 422 C GLY A 33 3.314 -5.168 9.066 1.00 0.00 C ATOM 423 O GLY A 33 2.399 -4.412 8.772 1.00 0.00 O ATOM 0 H GLY A 33 4.533 -3.111 8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.356 -5.303 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.257 -4.691 10.934 1.00 0.00 H new ATOM 427 N ALA A 34 3.326 -6.443 8.705 1.00 0.00 N ATOM 428 CA ALA A 34 2.272 -7.107 7.961 1.00 0.00 C ATOM 429 C ALA A 34 0.894 -6.803 8.536 1.00 0.00 C ATOM 430 O ALA A 34 -0.041 -6.575 7.781 1.00 0.00 O ATOM 431 CB ALA A 34 2.545 -8.606 7.983 1.00 0.00 C ATOM 0 H ALA A 34 4.102 -7.065 8.932 1.00 0.00 H new ATOM 0 HA ALA A 34 2.271 -6.737 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.764 -9.126 7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.512 -8.807 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.555 -8.959 9.014 1.00 0.00 H new ATOM 437 N GLU A 35 0.765 -6.789 9.863 1.00 0.00 N ATOM 438 CA GLU A 35 -0.483 -6.478 10.534 1.00 0.00 C ATOM 439 C GLU A 35 -0.949 -5.067 10.160 1.00 0.00 C ATOM 440 O GLU A 35 -2.065 -4.875 9.675 1.00 0.00 O ATOM 441 CB GLU A 35 -0.347 -6.652 12.059 1.00 0.00 C ATOM 442 CG GLU A 35 0.968 -6.207 12.728 1.00 0.00 C ATOM 443 CD GLU A 35 2.072 -7.258 12.642 1.00 0.00 C ATOM 444 OE1 GLU A 35 2.095 -8.140 13.527 1.00 0.00 O ATOM 445 OE2 GLU A 35 2.861 -7.164 11.676 1.00 0.00 O ATOM 0 H GLU A 35 1.533 -6.996 10.501 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.246 -7.181 10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.163 -6.104 12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.497 -7.707 12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.314 -5.287 12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.775 -5.977 13.776 1.00 0.00 H new ATOM 452 N GLU A 36 -0.077 -4.083 10.388 1.00 0.00 N ATOM 453 CA GLU A 36 -0.300 -2.691 10.123 1.00 0.00 C ATOM 454 C GLU A 36 -0.647 -2.512 8.651 1.00 0.00 C ATOM 455 O GLU A 36 -1.720 -2.030 8.303 1.00 0.00 O ATOM 456 CB GLU A 36 1.023 -1.996 10.464 1.00 0.00 C ATOM 457 CG GLU A 36 1.239 -1.764 11.958 1.00 0.00 C ATOM 458 CD GLU A 36 0.259 -0.733 12.513 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.497 0.468 12.262 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.723 -1.166 13.153 1.00 0.00 O ATOM 0 H GLU A 36 0.846 -4.262 10.783 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.123 -2.275 10.705 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.847 -2.597 10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.060 -1.036 9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.120 -2.706 12.494 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.261 -1.426 12.131 1.00 0.00 H new ATOM 467 N LEU A 37 0.284 -2.924 7.797 1.00 0.00 N ATOM 468 CA LEU A 37 0.186 -2.821 6.360 1.00 0.00 C ATOM 469 C LEU A 37 -1.092 -3.479 5.863 1.00 0.00 C ATOM 470 O LEU A 37 -1.778 -2.900 5.034 1.00 0.00 O ATOM 471 CB LEU A 37 1.422 -3.481 5.745 1.00 0.00 C ATOM 472 CG LEU A 37 2.711 -2.687 6.017 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.926 -3.575 5.744 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.777 -1.435 5.141 1.00 0.00 C ATOM 0 H LEU A 37 1.156 -3.353 8.106 1.00 0.00 H new ATOM 0 HA LEU A 37 0.146 -1.773 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.529 -4.489 6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.280 -3.579 4.669 1.00 0.00 H new ATOM 0 HG LEU A 37 2.712 -2.374 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.839 -3.012 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.893 -4.447 6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.913 -3.900 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.698 -0.891 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.760 -1.725 4.090 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.921 -0.796 5.355 1.00 0.00 H new ATOM 486 N TYR A 38 -1.421 -4.679 6.342 1.00 0.00 N ATOM 487 CA TYR A 38 -2.648 -5.349 5.952 1.00 0.00 C ATOM 488 C TYR A 38 -3.851 -4.497 6.309 1.00 0.00 C ATOM 489 O TYR A 38 -4.671 -4.212 5.446 1.00 0.00 O ATOM 490 CB TYR A 38 -2.768 -6.762 6.535 1.00 0.00 C ATOM 491 CG TYR A 38 -4.007 -7.485 6.043 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.159 -7.752 4.668 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.064 -7.768 6.928 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.359 -8.294 4.181 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.261 -8.320 6.439 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.414 -8.569 5.066 1.00 0.00 C ATOM 497 OH TYR A 38 -7.597 -9.055 4.594 1.00 0.00 O ATOM 0 H TYR A 38 -0.848 -5.203 7.003 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.616 -5.474 4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.883 -7.339 6.267 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.793 -6.703 7.623 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.349 -7.539 3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.956 -7.561 7.982 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.471 -8.499 3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.065 -8.553 7.121 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.217 -9.190 5.341 1.00 0.00 H new ATOM 507 N LYS A 39 -3.958 -4.073 7.563 1.00 0.00 N ATOM 508 CA LYS A 39 -5.094 -3.272 7.992 1.00 0.00 C ATOM 509 C LYS A 39 -5.204 -1.976 7.186 1.00 0.00 C ATOM 510 O LYS A 39 -6.288 -1.627 6.727 1.00 0.00 O ATOM 511 CB LYS A 39 -4.979 -2.979 9.493 1.00 0.00 C ATOM 512 CG LYS A 39 -5.194 -4.239 10.340 1.00 0.00 C ATOM 513 CD LYS A 39 -4.658 -4.104 11.774 1.00 0.00 C ATOM 514 CE LYS A 39 -5.279 -2.951 12.576 1.00 0.00 C ATOM 515 NZ LYS A 39 -4.617 -1.661 12.309 1.00 0.00 N ATOM 0 H LYS A 39 -3.276 -4.270 8.295 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.007 -3.839 7.809 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.995 -2.561 9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.714 -2.224 9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.259 -4.466 10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.705 -5.083 9.854 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.837 -5.038 12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.578 -3.962 11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.338 -2.871 12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.214 -3.176 13.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.615 -1.086 13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.637 -1.830 12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.131 -1.156 11.559 1.00 0.00 H new ATOM 529 N LYS A 40 -4.099 -1.253 7.011 1.00 0.00 N ATOM 530 CA LYS A 40 -4.091 -0.006 6.261 1.00 0.00 C ATOM 531 C LYS A 40 -4.406 -0.246 4.779 1.00 0.00 C ATOM 532 O LYS A 40 -5.265 0.433 4.220 1.00 0.00 O ATOM 533 CB LYS A 40 -2.746 0.711 6.464 1.00 0.00 C ATOM 534 CG LYS A 40 -2.748 1.616 7.710 1.00 0.00 C ATOM 535 CD LYS A 40 -2.417 0.858 9.001 1.00 0.00 C ATOM 536 CE LYS A 40 -2.269 1.804 10.198 1.00 0.00 C ATOM 537 NZ LYS A 40 -3.504 2.561 10.464 1.00 0.00 N ATOM 0 H LYS A 40 -3.188 -1.518 7.386 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.880 0.644 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.952 -0.030 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.520 1.311 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.024 2.419 7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.727 2.084 7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.203 0.132 9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.492 0.297 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.000 1.228 11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.451 2.500 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.392 3.111 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.693 3.207 9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.300 1.900 10.569 1.00 0.00 H new ATOM 551 N MET A 41 -3.732 -1.200 4.132 1.00 0.00 N ATOM 552 CA MET A 41 -3.951 -1.494 2.722 1.00 0.00 C ATOM 553 C MET A 41 -5.392 -1.971 2.503 1.00 0.00 C ATOM 554 O MET A 41 -6.045 -1.551 1.547 1.00 0.00 O ATOM 555 CB MET A 41 -2.837 -2.397 2.146 1.00 0.00 C ATOM 556 CG MET A 41 -2.980 -3.923 2.276 1.00 0.00 C ATOM 557 SD MET A 41 -4.131 -4.627 1.096 1.00 0.00 S ATOM 558 CE MET A 41 -3.403 -4.003 -0.438 1.00 0.00 C ATOM 0 H MET A 41 -3.023 -1.786 4.573 1.00 0.00 H new ATOM 0 HA MET A 41 -3.861 -0.584 2.129 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.738 -2.164 1.086 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.900 -2.111 2.624 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.002 -4.386 2.141 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.311 -4.166 3.286 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.511 -4.752 -1.223 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.914 -3.088 -0.737 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.345 -3.793 -0.280 1.00 0.00 H new ATOM 568 N LYS A 42 -5.907 -2.797 3.421 1.00 0.00 N ATOM 569 CA LYS A 42 -7.295 -3.234 3.420 1.00 0.00 C ATOM 570 C LYS A 42 -8.182 -1.998 3.547 1.00 0.00 C ATOM 571 O LYS A 42 -9.134 -1.839 2.790 1.00 0.00 O ATOM 572 CB LYS A 42 -7.564 -4.199 4.587 1.00 0.00 C ATOM 573 CG LYS A 42 -8.942 -4.861 4.457 1.00 0.00 C ATOM 574 CD LYS A 42 -9.200 -5.773 5.663 1.00 0.00 C ATOM 575 CE LYS A 42 -10.508 -6.560 5.514 1.00 0.00 C ATOM 576 NZ LYS A 42 -11.682 -5.672 5.446 1.00 0.00 N ATOM 0 H LYS A 42 -5.360 -3.181 4.191 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.513 -3.765 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.790 -4.967 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.506 -3.657 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.717 -4.097 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.991 -5.440 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.369 -6.469 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.239 -5.172 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.463 -7.171 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.618 -7.243 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.550 -6.245 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.694 -5.047 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.632 -5.096 4.581 1.00 0.00 H new ATOM 590 N GLY A 43 -7.863 -1.136 4.516 1.00 0.00 N ATOM 591 CA GLY A 43 -8.551 0.109 4.791 1.00 0.00 C ATOM 592 C GLY A 43 -8.705 0.920 3.513 1.00 0.00 C ATOM 593 O GLY A 43 -9.804 1.368 3.190 1.00 0.00 O ATOM 0 H GLY A 43 -7.083 -1.302 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.532 -0.097 5.220 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.994 0.685 5.530 1.00 0.00 H new ATOM 597 N TYR A 44 -7.596 1.105 2.796 1.00 0.00 N ATOM 598 CA TYR A 44 -7.559 1.815 1.539 1.00 0.00 C ATOM 599 C TYR A 44 -8.422 1.094 0.499 1.00 0.00 C ATOM 600 O TYR A 44 -9.369 1.679 -0.011 1.00 0.00 O ATOM 601 CB TYR A 44 -6.097 1.977 1.104 1.00 0.00 C ATOM 602 CG TYR A 44 -5.265 3.008 1.863 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.736 4.326 2.045 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.946 2.696 2.250 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.941 5.280 2.710 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.139 3.664 2.873 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.646 4.945 3.127 1.00 0.00 C ATOM 608 OH TYR A 44 -2.853 5.887 3.712 1.00 0.00 O ATOM 0 H TYR A 44 -6.684 0.754 3.089 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.983 2.813 1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.605 1.009 1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.084 2.241 0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.711 4.604 1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.553 1.707 2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.330 6.270 2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.126 3.420 3.156 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.936 5.825 4.687 1.00 0.00 H new ATOM 618 N ALA A 45 -8.133 -0.174 0.194 1.00 0.00 N ATOM 619 CA ALA A 45 -8.890 -0.943 -0.795 1.00 0.00 C ATOM 620 C ALA A 45 -10.402 -0.898 -0.546 1.00 0.00 C ATOM 621 O ALA A 45 -11.180 -0.698 -1.475 1.00 0.00 O ATOM 622 CB ALA A 45 -8.378 -2.386 -0.824 1.00 0.00 C ATOM 0 H ALA A 45 -7.369 -0.695 0.625 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.730 -0.482 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.942 -2.958 -1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.321 -2.392 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.505 -2.837 0.160 1.00 0.00 H new ATOM 628 N ASP A 46 -10.816 -1.094 0.705 1.00 0.00 N ATOM 629 CA ASP A 46 -12.215 -1.061 1.108 1.00 0.00 C ATOM 630 C ASP A 46 -12.767 0.367 1.069 1.00 0.00 C ATOM 631 O ASP A 46 -13.936 0.566 0.750 1.00 0.00 O ATOM 632 CB ASP A 46 -12.342 -1.659 2.512 1.00 0.00 C ATOM 633 CG ASP A 46 -13.778 -1.593 3.021 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.552 -2.505 2.660 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.067 -0.637 3.774 1.00 0.00 O ATOM 0 H ASP A 46 -10.176 -1.283 1.477 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.804 -1.653 0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.007 -2.696 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.687 -1.122 3.198 1.00 0.00 H new ATOM 640 N GLY A 47 -11.937 1.353 1.419 1.00 0.00 N ATOM 641 CA GLY A 47 -12.301 2.760 1.467 1.00 0.00 C ATOM 642 C GLY A 47 -12.622 3.211 2.893 1.00 0.00 C ATOM 643 O GLY A 47 -13.197 4.279 3.086 1.00 0.00 O ATOM 0 H GLY A 47 -10.967 1.183 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.483 3.362 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.165 2.935 0.826 1.00 0.00 H new ATOM 647 N SER A 48 -12.254 2.412 3.899 1.00 0.00 N ATOM 648 CA SER A 48 -12.440 2.737 5.305 1.00 0.00 C ATOM 649 C SER A 48 -11.359 3.733 5.727 1.00 0.00 C ATOM 650 O SER A 48 -11.627 4.650 6.499 1.00 0.00 O ATOM 651 CB SER A 48 -12.378 1.458 6.155 1.00 0.00 C ATOM 652 OG SER A 48 -12.081 0.326 5.359 1.00 0.00 O ATOM 0 H SER A 48 -11.811 1.506 3.750 1.00 0.00 H new ATOM 0 HA SER A 48 -13.420 3.190 5.459 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.619 1.570 6.930 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.331 1.309 6.662 1.00 0.00 H new ATOM 0 HG SER A 48 -12.902 -0.001 4.936 1.00 0.00 H new ATOM 658 N TYR A 49 -10.131 3.523 5.240 1.00 0.00 N ATOM 659 CA TYR A 49 -8.996 4.404 5.473 1.00 0.00 C ATOM 660 C TYR A 49 -8.761 5.147 4.162 1.00 0.00 C ATOM 661 O TYR A 49 -8.832 4.533 3.102 1.00 0.00 O ATOM 662 CB TYR A 49 -7.765 3.581 5.898 1.00 0.00 C ATOM 663 CG TYR A 49 -6.484 4.358 6.158 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.511 5.646 6.726 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.242 3.753 5.882 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.313 6.347 6.939 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.042 4.426 6.171 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.078 5.739 6.671 1.00 0.00 C ATOM 669 OH TYR A 49 -2.937 6.446 6.896 1.00 0.00 O ATOM 0 H TYR A 49 -9.900 2.716 4.661 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.184 5.112 6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.019 3.030 6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.564 2.843 5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.454 6.096 6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.212 2.766 5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.343 7.360 7.311 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.094 3.935 6.009 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.175 5.832 6.940 1.00 0.00 H new ATOM 679 N GLY A 50 -8.513 6.457 4.203 1.00 0.00 N ATOM 680 CA GLY A 50 -8.292 7.233 2.999 1.00 0.00 C ATOM 681 C GLY A 50 -8.334 8.723 3.319 1.00 0.00 C ATOM 682 O GLY A 50 -8.324 9.105 4.487 1.00 0.00 O ATOM 0 H GLY A 50 -8.462 6.998 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.327 6.974 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.053 6.991 2.257 1.00 0.00 H new ATOM 686 N GLY A 51 -8.355 9.553 2.276 1.00 0.00 N ATOM 687 CA GLY A 51 -8.343 11.004 2.342 1.00 0.00 C ATOM 688 C GLY A 51 -8.002 11.519 0.944 1.00 0.00 C ATOM 689 O GLY A 51 -7.664 10.717 0.073 1.00 0.00 O ATOM 0 H GLY A 51 -8.382 9.208 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.313 11.382 2.665 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.608 11.350 3.069 1.00 0.00 H new ATOM 693 N GLU A 52 -8.062 12.837 0.734 1.00 0.00 N ATOM 694 CA GLU A 52 -7.837 13.487 -0.555 1.00 0.00 C ATOM 695 C GLU A 52 -6.675 12.865 -1.341 1.00 0.00 C ATOM 696 O GLU A 52 -6.892 12.200 -2.352 1.00 0.00 O ATOM 697 CB GLU A 52 -7.643 15.005 -0.379 1.00 0.00 C ATOM 698 CG GLU A 52 -8.823 15.705 0.316 1.00 0.00 C ATOM 699 CD GLU A 52 -8.662 15.763 1.834 1.00 0.00 C ATOM 700 OE1 GLU A 52 -9.026 14.757 2.482 1.00 0.00 O ATOM 701 OE2 GLU A 52 -8.155 16.798 2.314 1.00 0.00 O ATOM 0 H GLU A 52 -8.275 13.499 1.480 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.734 13.321 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.736 15.181 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.489 15.458 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.920 16.718 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.747 15.180 0.072 1.00 0.00 H new ATOM 708 N ARG A 53 -5.439 13.045 -0.865 1.00 0.00 N ATOM 709 CA ARG A 53 -4.256 12.535 -1.530 1.00 0.00 C ATOM 710 C ARG A 53 -4.260 11.011 -1.670 1.00 0.00 C ATOM 711 O ARG A 53 -3.608 10.464 -2.554 1.00 0.00 O ATOM 712 CB ARG A 53 -3.018 13.032 -0.776 1.00 0.00 C ATOM 713 CG ARG A 53 -2.767 12.370 0.591 1.00 0.00 C ATOM 714 CD ARG A 53 -1.432 12.881 1.140 1.00 0.00 C ATOM 715 NE ARG A 53 -1.134 12.364 2.484 1.00 0.00 N ATOM 716 CZ ARG A 53 0.060 12.512 3.082 1.00 0.00 C ATOM 717 NH1 ARG A 53 1.062 13.140 2.462 1.00 0.00 N ATOM 718 NH2 ARG A 53 0.279 12.035 4.310 1.00 0.00 N ATOM 0 H ARG A 53 -5.240 13.552 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.243 12.915 -2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.142 12.872 -1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.111 14.108 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.576 12.608 1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.744 11.285 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.631 12.594 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.450 13.970 1.170 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.870 11.869 2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.926 13.514 1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.963 13.245 2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.466 11.549 4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.192 12.156 4.749 1.00 0.00 H new ATOM 732 N LYS A 54 -4.983 10.318 -0.790 1.00 0.00 N ATOM 733 CA LYS A 54 -5.035 8.871 -0.800 1.00 0.00 C ATOM 734 C LYS A 54 -5.870 8.369 -1.975 1.00 0.00 C ATOM 735 O LYS A 54 -5.721 7.216 -2.353 1.00 0.00 O ATOM 736 CB LYS A 54 -5.620 8.340 0.513 1.00 0.00 C ATOM 737 CG LYS A 54 -5.124 9.062 1.775 1.00 0.00 C ATOM 738 CD LYS A 54 -3.632 8.836 2.035 1.00 0.00 C ATOM 739 CE LYS A 54 -3.217 9.449 3.378 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.653 8.612 4.513 1.00 0.00 N ATOM 0 H LYS A 54 -5.544 10.750 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.015 8.501 -0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.706 8.419 0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.380 7.280 0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.314 10.131 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.696 8.715 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.415 7.768 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.046 9.280 1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.134 9.566 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.648 10.446 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.163 8.918 5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.680 8.711 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.423 7.616 4.318 1.00 0.00 H new ATOM 754 N ALA A 55 -6.765 9.189 -2.533 1.00 0.00 N ATOM 755 CA ALA A 55 -7.653 8.799 -3.631 1.00 0.00 C ATOM 756 C ALA A 55 -6.971 7.955 -4.720 1.00 0.00 C ATOM 757 O ALA A 55 -7.464 6.885 -5.078 1.00 0.00 O ATOM 758 CB ALA A 55 -8.301 10.048 -4.235 1.00 0.00 C ATOM 0 H ALA A 55 -6.895 10.155 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.416 8.150 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.961 9.757 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.878 10.565 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.525 10.713 -4.615 1.00 0.00 H new ATOM 764 N MET A 56 -5.835 8.422 -5.249 1.00 0.00 N ATOM 765 CA MET A 56 -5.104 7.696 -6.283 1.00 0.00 C ATOM 766 C MET A 56 -4.740 6.295 -5.782 1.00 0.00 C ATOM 767 O MET A 56 -5.062 5.286 -6.411 1.00 0.00 O ATOM 768 CB MET A 56 -3.865 8.506 -6.689 1.00 0.00 C ATOM 769 CG MET A 56 -3.076 7.818 -7.810 1.00 0.00 C ATOM 770 SD MET A 56 -1.688 8.789 -8.450 1.00 0.00 S ATOM 771 CE MET A 56 -0.976 7.586 -9.593 1.00 0.00 C ATOM 0 H MET A 56 -5.403 9.304 -4.974 1.00 0.00 H new ATOM 0 HA MET A 56 -5.728 7.569 -7.168 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.172 9.499 -7.017 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.220 8.642 -5.821 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.697 6.865 -7.440 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.756 7.593 -8.632 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.103 8.020 -10.080 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.678 6.693 -9.043 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.716 7.318 -10.347 1.00 0.00 H new ATOM 781 N MET A 57 -4.074 6.247 -4.627 1.00 0.00 N ATOM 782 CA MET A 57 -3.675 5.010 -3.981 1.00 0.00 C ATOM 783 C MET A 57 -4.888 4.108 -3.779 1.00 0.00 C ATOM 784 O MET A 57 -4.805 2.922 -4.066 1.00 0.00 O ATOM 785 CB MET A 57 -2.991 5.325 -2.649 1.00 0.00 C ATOM 786 CG MET A 57 -2.740 4.065 -1.810 1.00 0.00 C ATOM 787 SD MET A 57 -1.772 4.342 -0.313 1.00 0.00 S ATOM 788 CE MET A 57 -2.418 5.913 0.292 1.00 0.00 C ATOM 0 H MET A 57 -3.796 7.082 -4.112 1.00 0.00 H new ATOM 0 HA MET A 57 -2.966 4.479 -4.616 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.042 5.826 -2.840 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.610 6.020 -2.081 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.701 3.632 -1.531 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.226 3.329 -2.428 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.991 6.129 1.271 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.151 6.708 -0.404 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.503 5.853 0.374 1.00 0.00 H new ATOM 798 N THR A 58 -5.999 4.664 -3.292 1.00 0.00 N ATOM 799 CA THR A 58 -7.236 3.948 -3.019 1.00 0.00 C ATOM 800 C THR A 58 -7.606 3.119 -4.247 1.00 0.00 C ATOM 801 O THR A 58 -7.699 1.895 -4.162 1.00 0.00 O ATOM 802 CB THR A 58 -8.342 4.939 -2.609 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.905 5.734 -1.523 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.635 4.249 -2.178 1.00 0.00 C ATOM 0 H THR A 58 -6.059 5.658 -3.071 1.00 0.00 H new ATOM 0 HA THR A 58 -7.109 3.263 -2.180 1.00 0.00 H new ATOM 0 HB THR A 58 -8.546 5.541 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.226 6.368 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.374 5.001 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.019 3.648 -3.002 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.436 3.605 -1.322 1.00 0.00 H new ATOM 812 N ASN A 59 -7.764 3.767 -5.406 1.00 0.00 N ATOM 813 CA ASN A 59 -8.107 3.027 -6.615 1.00 0.00 C ATOM 814 C ASN A 59 -6.964 2.097 -7.024 1.00 0.00 C ATOM 815 O ASN A 59 -7.225 1.008 -7.526 1.00 0.00 O ATOM 816 CB ASN A 59 -8.479 3.964 -7.768 1.00 0.00 C ATOM 817 CG ASN A 59 -9.334 3.297 -8.857 1.00 0.00 C ATOM 818 OD1 ASN A 59 -10.076 3.991 -9.542 1.00 0.00 O ATOM 819 ND2 ASN A 59 -9.291 1.976 -9.050 1.00 0.00 N ATOM 0 H ASN A 59 -7.662 4.775 -5.528 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.984 2.421 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -9.021 4.821 -7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.565 4.348 -8.221 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.875 1.546 -9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.674 1.397 -8.480 1.00 0.00 H new ATOM 826 N ALA A 60 -5.704 2.500 -6.839 1.00 0.00 N ATOM 827 CA ALA A 60 -4.581 1.649 -7.214 1.00 0.00 C ATOM 828 C ALA A 60 -4.666 0.307 -6.481 1.00 0.00 C ATOM 829 O ALA A 60 -4.642 -0.750 -7.108 1.00 0.00 O ATOM 830 CB ALA A 60 -3.247 2.356 -6.952 1.00 0.00 C ATOM 0 H ALA A 60 -5.442 3.400 -6.437 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.634 1.450 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.425 1.700 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.201 3.274 -7.537 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.165 2.597 -5.892 1.00 0.00 H new ATOM 836 N VAL A 61 -4.797 0.348 -5.154 1.00 0.00 N ATOM 837 CA VAL A 61 -4.881 -0.854 -4.342 1.00 0.00 C ATOM 838 C VAL A 61 -6.223 -1.564 -4.528 1.00 0.00 C ATOM 839 O VAL A 61 -6.267 -2.784 -4.407 1.00 0.00 O ATOM 840 CB VAL A 61 -4.561 -0.565 -2.867 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.203 0.127 -2.725 1.00 0.00 C ATOM 842 CG2 VAL A 61 -5.626 0.268 -2.155 1.00 0.00 C ATOM 0 H VAL A 61 -4.847 1.215 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.114 -1.545 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.539 -1.541 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.001 0.320 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.423 -0.516 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.217 1.071 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.329 0.430 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.731 1.230 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.579 -0.261 -2.181 1.00 0.00 H new ATOM 852 N LYS A 62 -7.305 -0.835 -4.836 1.00 0.00 N ATOM 853 CA LYS A 62 -8.636 -1.401 -5.059 1.00 0.00 C ATOM 854 C LYS A 62 -8.607 -2.615 -5.995 1.00 0.00 C ATOM 855 O LYS A 62 -9.438 -3.509 -5.863 1.00 0.00 O ATOM 856 CB LYS A 62 -9.570 -0.317 -5.623 1.00 0.00 C ATOM 857 CG LYS A 62 -11.011 -0.763 -5.893 1.00 0.00 C ATOM 858 CD LYS A 62 -11.749 -1.072 -4.585 1.00 0.00 C ATOM 859 CE LYS A 62 -13.221 -1.398 -4.840 1.00 0.00 C ATOM 860 NZ LYS A 62 -13.379 -2.665 -5.577 1.00 0.00 N ATOM 0 H LYS A 62 -7.276 0.179 -4.938 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.011 -1.751 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.592 0.519 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.143 0.057 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.541 0.019 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.008 -1.648 -6.530 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.270 -1.913 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.675 -0.217 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.750 -1.462 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.680 -0.588 -5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.390 -2.896 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.969 -2.567 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.889 -3.427 -5.066 1.00 0.00 H new ATOM 874 N LYS A 63 -7.681 -2.645 -6.960 1.00 0.00 N ATOM 875 CA LYS A 63 -7.547 -3.736 -7.892 1.00 0.00 C ATOM 876 C LYS A 63 -7.315 -5.076 -7.165 1.00 0.00 C ATOM 877 O LYS A 63 -7.737 -6.127 -7.644 1.00 0.00 O ATOM 878 CB LYS A 63 -6.365 -3.404 -8.807 1.00 0.00 C ATOM 879 CG LYS A 63 -6.761 -2.631 -10.072 1.00 0.00 C ATOM 880 CD LYS A 63 -7.262 -1.218 -9.753 1.00 0.00 C ATOM 881 CE LYS A 63 -7.413 -0.379 -11.028 1.00 0.00 C ATOM 882 NZ LYS A 63 -8.454 -0.918 -11.921 1.00 0.00 N ATOM 0 H LYS A 63 -7.003 -1.897 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.465 -3.852 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.637 -2.817 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.871 -4.331 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.903 -2.568 -10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.539 -3.180 -10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.221 -1.277 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.565 -0.728 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.661 0.648 -10.759 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.461 -0.349 -11.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.536 -0.313 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.197 -1.883 -12.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.365 -0.939 -11.419 1.00 0.00 H new ATOM 896 N ALA A 64 -6.604 -5.047 -6.033 1.00 0.00 N ATOM 897 CA ALA A 64 -6.289 -6.222 -5.237 1.00 0.00 C ATOM 898 C ALA A 64 -7.567 -6.867 -4.699 1.00 0.00 C ATOM 899 O ALA A 64 -8.333 -6.223 -3.988 1.00 0.00 O ATOM 900 CB ALA A 64 -5.373 -5.812 -4.084 1.00 0.00 C ATOM 0 H ALA A 64 -6.227 -4.184 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.781 -6.956 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.132 -6.688 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.454 -5.383 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.879 -5.073 -3.463 1.00 0.00 H new ATOM 906 N SER A 65 -7.772 -8.151 -5.006 1.00 0.00 N ATOM 907 CA SER A 65 -8.966 -8.872 -4.576 1.00 0.00 C ATOM 908 C SER A 65 -8.905 -9.275 -3.106 1.00 0.00 C ATOM 909 O SER A 65 -9.657 -8.766 -2.280 1.00 0.00 O ATOM 910 CB SER A 65 -9.228 -10.075 -5.492 1.00 0.00 C ATOM 911 OG SER A 65 -9.713 -9.609 -6.736 1.00 0.00 O ATOM 0 H SER A 65 -7.120 -8.712 -5.554 1.00 0.00 H new ATOM 0 HA SER A 65 -9.812 -8.190 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.311 -10.646 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.953 -10.747 -5.033 1.00 0.00 H new ATOM 0 HG SER A 65 -9.881 -10.372 -7.328 1.00 0.00 H new ATOM 917 N ASP A 66 -8.025 -10.221 -2.789 1.00 0.00 N ATOM 918 CA ASP A 66 -7.900 -10.769 -1.439 1.00 0.00 C ATOM 919 C ASP A 66 -6.521 -11.386 -1.239 1.00 0.00 C ATOM 920 O ASP A 66 -5.792 -10.986 -0.330 1.00 0.00 O ATOM 921 CB ASP A 66 -9.041 -11.756 -1.124 1.00 0.00 C ATOM 922 CG ASP A 66 -9.030 -13.046 -1.946 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.652 -12.972 -3.138 1.00 0.00 O ATOM 924 OD2 ASP A 66 -9.382 -14.091 -1.360 1.00 0.00 O ATOM 0 H ASP A 66 -7.377 -10.631 -3.461 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.996 -9.952 -0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.993 -12.017 -0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.993 -11.250 -1.284 1.00 0.00 H new ATOM 929 N GLU A 67 -6.152 -12.326 -2.118 1.00 0.00 N ATOM 930 CA GLU A 67 -4.831 -12.952 -2.099 1.00 0.00 C ATOM 931 C GLU A 67 -3.810 -11.819 -2.147 1.00 0.00 C ATOM 932 O GLU A 67 -2.889 -11.725 -1.344 1.00 0.00 O ATOM 933 CB GLU A 67 -4.675 -13.874 -3.324 1.00 0.00 C ATOM 934 CG GLU A 67 -3.612 -14.964 -3.107 1.00 0.00 C ATOM 935 CD GLU A 67 -2.209 -14.412 -2.858 1.00 0.00 C ATOM 936 OE1 GLU A 67 -1.771 -13.576 -3.677 1.00 0.00 O ATOM 937 OE2 GLU A 67 -1.603 -14.834 -1.850 1.00 0.00 O ATOM 0 H GLU A 67 -6.762 -12.671 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.689 -13.561 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.633 -14.344 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.405 -13.275 -4.194 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.906 -15.582 -2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.587 -15.614 -3.981 1.00 0.00 H new ATOM 944 N GLU A 68 -4.058 -10.941 -3.112 1.00 0.00 N ATOM 945 CA GLU A 68 -3.341 -9.737 -3.413 1.00 0.00 C ATOM 946 C GLU A 68 -3.241 -8.869 -2.167 1.00 0.00 C ATOM 947 O GLU A 68 -2.137 -8.499 -1.797 1.00 0.00 O ATOM 948 CB GLU A 68 -4.089 -9.058 -4.562 1.00 0.00 C ATOM 949 CG GLU A 68 -4.098 -9.974 -5.799 1.00 0.00 C ATOM 950 CD GLU A 68 -5.308 -10.890 -5.948 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.089 -10.989 -4.974 1.00 0.00 O ATOM 952 OE2 GLU A 68 -5.409 -11.490 -7.043 1.00 0.00 O ATOM 0 H GLU A 68 -4.839 -11.079 -3.753 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.314 -9.931 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.111 -8.833 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.613 -8.108 -4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.030 -9.349 -6.689 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.201 -10.592 -5.774 1.00 0.00 H new ATOM 959 N LEU A 69 -4.364 -8.565 -1.507 1.00 0.00 N ATOM 960 CA LEU A 69 -4.342 -7.719 -0.321 1.00 0.00 C ATOM 961 C LEU A 69 -3.373 -8.288 0.726 1.00 0.00 C ATOM 962 O LEU A 69 -2.444 -7.612 1.175 1.00 0.00 O ATOM 963 CB LEU A 69 -5.753 -7.573 0.297 1.00 0.00 C ATOM 964 CG LEU A 69 -6.849 -6.913 -0.562 1.00 0.00 C ATOM 965 CD1 LEU A 69 -8.180 -6.952 0.199 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.585 -5.435 -0.864 1.00 0.00 C ATOM 0 H LEU A 69 -5.292 -8.893 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.000 -6.731 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.100 -8.567 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.657 -6.998 1.218 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.866 -7.472 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.958 -6.486 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.451 -7.987 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.078 -6.410 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.397 -5.037 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.525 -4.878 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.644 -5.337 -1.406 1.00 0.00 H new ATOM 978 N LYS A 70 -3.584 -9.554 1.097 1.00 0.00 N ATOM 979 CA LYS A 70 -2.780 -10.228 2.106 1.00 0.00 C ATOM 980 C LYS A 70 -1.304 -10.234 1.708 1.00 0.00 C ATOM 981 O LYS A 70 -0.427 -9.830 2.474 1.00 0.00 O ATOM 982 CB LYS A 70 -3.317 -11.654 2.273 1.00 0.00 C ATOM 983 CG LYS A 70 -4.744 -11.661 2.843 1.00 0.00 C ATOM 984 CD LYS A 70 -5.452 -12.995 2.578 1.00 0.00 C ATOM 985 CE LYS A 70 -4.613 -14.183 3.054 1.00 0.00 C ATOM 986 NZ LYS A 70 -5.370 -15.444 2.975 1.00 0.00 N ATOM 0 H LYS A 70 -4.321 -10.137 0.701 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.851 -9.698 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.308 -12.161 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.658 -12.216 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.708 -11.474 3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.318 -10.849 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.416 -13.003 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.653 -13.095 1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.711 -14.260 2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.291 -14.014 4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.773 -16.229 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.217 -15.378 3.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.655 -15.616 1.990 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.036 -10.691 0.489 1.00 0.00 N ATOM 1001 CA ALA A 71 0.308 -10.796 -0.034 1.00 0.00 C ATOM 1002 C ALA A 71 0.983 -9.435 -0.168 1.00 0.00 C ATOM 1003 O ALA A 71 2.196 -9.357 -0.002 1.00 0.00 O ATOM 1004 CB ALA A 71 0.273 -11.549 -1.363 1.00 0.00 C ATOM 0 H ALA A 71 -1.757 -11.000 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 71 0.915 -11.358 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.284 -11.631 -1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.137 -12.547 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.354 -11.007 -2.072 1.00 0.00 H new ATOM 1010 N LEU A 72 0.242 -8.361 -0.459 1.00 0.00 N ATOM 1011 CA LEU A 72 0.831 -7.048 -0.607 1.00 0.00 C ATOM 1012 C LEU A 72 1.364 -6.626 0.754 1.00 0.00 C ATOM 1013 O LEU A 72 2.504 -6.182 0.864 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.243 -6.132 -1.199 1.00 0.00 C ATOM 1015 CG LEU A 72 0.193 -4.797 -1.810 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.609 -4.805 -2.395 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.811 -4.489 -2.931 1.00 0.00 C ATOM 0 H LEU A 72 -0.769 -8.387 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 72 1.680 -7.012 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.770 -6.694 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.966 -5.916 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 72 0.209 -4.047 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.838 -3.822 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.326 -5.046 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.672 -5.553 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.548 -3.543 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.784 -5.287 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.814 -4.418 -2.511 1.00 0.00 H new ATOM 1029 N ALA A 73 0.557 -6.826 1.800 1.00 0.00 N ATOM 1030 CA ALA A 73 0.980 -6.551 3.161 1.00 0.00 C ATOM 1031 C ALA A 73 2.207 -7.389 3.518 1.00 0.00 C ATOM 1032 O ALA A 73 3.214 -6.844 3.968 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.172 -6.830 4.115 1.00 0.00 C ATOM 0 H ALA A 73 -0.397 -7.180 1.721 1.00 0.00 H new ATOM 0 HA ALA A 73 1.260 -5.501 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.144 -6.624 5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.018 -6.191 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.469 -7.875 4.031 1.00 0.00 H new ATOM 1039 N ASP A 74 2.132 -8.711 3.320 1.00 0.00 N ATOM 1040 CA ASP A 74 3.250 -9.604 3.602 1.00 0.00 C ATOM 1041 C ASP A 74 4.531 -9.123 2.911 1.00 0.00 C ATOM 1042 O ASP A 74 5.571 -8.987 3.552 1.00 0.00 O ATOM 1043 CB ASP A 74 2.895 -11.029 3.165 1.00 0.00 C ATOM 1044 CG ASP A 74 4.073 -11.976 3.356 1.00 0.00 C ATOM 1045 OD1 ASP A 74 4.496 -12.135 4.521 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.548 -12.508 2.329 1.00 0.00 O ATOM 0 H ASP A 74 1.301 -9.183 2.963 1.00 0.00 H new ATOM 0 HA ASP A 74 3.438 -9.599 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.041 -11.386 3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.594 -11.026 2.117 1.00 0.00 H new ATOM 1051 N TYR A 75 4.451 -8.862 1.604 1.00 0.00 N ATOM 1052 CA TYR A 75 5.564 -8.384 0.797 1.00 0.00 C ATOM 1053 C TYR A 75 6.125 -7.088 1.393 1.00 0.00 C ATOM 1054 O TYR A 75 7.302 -7.014 1.746 1.00 0.00 O ATOM 1055 CB TYR A 75 5.077 -8.206 -0.649 1.00 0.00 C ATOM 1056 CG TYR A 75 6.141 -7.835 -1.664 1.00 0.00 C ATOM 1057 CD1 TYR A 75 6.417 -6.482 -1.936 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.762 -8.840 -2.428 1.00 0.00 C ATOM 1059 CE1 TYR A 75 7.300 -6.140 -2.975 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.618 -8.494 -3.489 1.00 0.00 C ATOM 1061 CZ TYR A 75 7.871 -7.143 -3.775 1.00 0.00 C ATOM 1062 OH TYR A 75 8.629 -6.808 -4.858 1.00 0.00 O ATOM 0 H TYR A 75 3.590 -8.981 1.071 1.00 0.00 H new ATOM 0 HA TYR A 75 6.381 -9.106 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.604 -9.134 -0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.307 -7.435 -0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.950 -5.707 -1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.581 -9.880 -2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.540 -5.103 -3.158 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.081 -9.268 -4.084 1.00 0.00 H new ATOM 0 HH TYR A 75 9.108 -7.600 -5.180 1.00 0.00 H new ATOM 1072 N MET A 76 5.271 -6.070 1.536 1.00 0.00 N ATOM 1073 CA MET A 76 5.660 -4.781 2.096 1.00 0.00 C ATOM 1074 C MET A 76 6.250 -4.930 3.505 1.00 0.00 C ATOM 1075 O MET A 76 7.100 -4.143 3.906 1.00 0.00 O ATOM 1076 CB MET A 76 4.464 -3.823 2.083 1.00 0.00 C ATOM 1077 CG MET A 76 4.152 -3.327 0.666 1.00 0.00 C ATOM 1078 SD MET A 76 2.862 -2.058 0.535 1.00 0.00 S ATOM 1079 CE MET A 76 1.487 -2.883 1.363 1.00 0.00 C ATOM 0 H MET A 76 4.289 -6.121 1.265 1.00 0.00 H new ATOM 0 HA MET A 76 6.447 -4.358 1.472 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.589 -4.327 2.493 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.673 -2.971 2.729 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.069 -2.931 0.231 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.855 -4.183 0.060 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.588 -2.273 1.271 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.315 -3.855 0.901 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.726 -3.019 2.418 1.00 0.00 H new ATOM 1089 N SER A 77 5.824 -5.941 4.265 1.00 0.00 N ATOM 1090 CA SER A 77 6.347 -6.179 5.602 1.00 0.00 C ATOM 1091 C SER A 77 7.789 -6.695 5.600 1.00 0.00 C ATOM 1092 O SER A 77 8.321 -6.918 6.688 1.00 0.00 O ATOM 1093 CB SER A 77 5.453 -7.169 6.352 1.00 0.00 C ATOM 1094 OG SER A 77 5.788 -7.183 7.730 1.00 0.00 O ATOM 0 H SER A 77 5.113 -6.610 3.970 1.00 0.00 H new ATOM 0 HA SER A 77 6.349 -5.214 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.406 -6.892 6.227 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.571 -8.168 5.931 1.00 0.00 H new ATOM 0 HG SER A 77 6.759 -7.099 7.831 1.00 0.00 H new ATOM 1100 N LYS A 78 8.399 -6.952 4.438 1.00 0.00 N ATOM 1101 CA LYS A 78 9.763 -7.441 4.346 1.00 0.00 C ATOM 1102 C LYS A 78 10.444 -6.609 3.267 1.00 0.00 C ATOM 1103 O LYS A 78 11.119 -7.143 2.388 1.00 0.00 O ATOM 1104 CB LYS A 78 9.731 -8.931 3.982 1.00 0.00 C ATOM 1105 CG LYS A 78 8.997 -9.763 5.043 1.00 0.00 C ATOM 1106 CD LYS A 78 9.148 -11.271 4.799 1.00 0.00 C ATOM 1107 CE LYS A 78 8.616 -11.724 3.432 1.00 0.00 C ATOM 1108 NZ LYS A 78 7.203 -11.354 3.241 1.00 0.00 N ATOM 0 H LYS A 78 7.949 -6.823 3.532 1.00 0.00 H new ATOM 0 HA LYS A 78 10.309 -7.347 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.240 -9.059 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.751 -9.300 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.386 -9.515 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.939 -9.500 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.201 -11.541 4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.620 -11.813 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.218 -11.276 2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.724 -12.805 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.863 -11.737 2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.633 -11.746 4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.113 -10.318 3.234 1.00 0.00 H new ATOM 1122 N LEU A 79 10.237 -5.294 3.324 1.00 0.00 N ATOM 1123 CA LEU A 79 10.645 -4.359 2.327 1.00 0.00 C ATOM 1124 C LEU A 79 10.724 -3.010 3.038 1.00 0.00 C ATOM 1125 O LEU A 79 9.979 -2.868 4.038 1.00 0.00 O ATOM 1126 CB LEU A 79 9.506 -4.390 1.311 1.00 0.00 C ATOM 1127 CG LEU A 79 9.732 -3.465 0.134 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.834 -4.033 -0.765 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.421 -3.345 -0.638 1.00 0.00 C ATOM 1130 OXT LEU A 79 11.518 -2.158 2.586 1.00 0.00 O ATOM 0 H LEU A 79 9.758 -4.852 4.109 1.00 0.00 H new ATOM 0 HA LEU A 79 11.600 -4.561 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.382 -5.409 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.576 -4.114 1.808 1.00 0.00 H new ATOM 0 HG LEU A 79 10.047 -2.480 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.994 -3.365 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.758 -4.124 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.535 -5.016 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.561 -2.682 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.114 -4.330 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.650 -2.937 0.016 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.553 4.048 -0.358 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.071 4.872 2.915 1.00 5.52 C HETATM 1145 CHB HEC A 80 -0.187 0.842 0.605 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.624 3.109 -3.598 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.675 7.334 -1.223 1.00 10.53 C HETATM 1148 NA HEC A 80 0.557 3.043 1.378 1.00 6.22 N HETATM 1149 C1A HEC A 80 0.878 3.532 2.624 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.857 2.470 3.600 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.284 1.404 2.996 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.170 1.737 1.598 1.00 9.92 C HETATM 1153 CMA HEC A 80 -0.125 0.097 3.614 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.308 2.581 5.028 1.00 7.29 C HETATM 1155 CBA HEC A 80 0.157 2.773 6.023 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.244 4.058 6.836 1.00 22.27 C HETATM 1157 O1A HEC A 80 1.343 4.429 7.238 1.00 18.65 O HETATM 1158 O2A HEC A 80 -0.799 4.671 7.047 1.00 17.21 O HETATM 1159 NB HEC A 80 0.252 2.335 -1.297 1.00 4.54 N HETATM 1160 C1B HEC A 80 -0.054 1.098 -0.754 1.00 10.91 C HETATM 1161 C2B HEC A 80 -0.044 0.085 -1.784 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.351 0.709 -2.927 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.386 2.124 -2.645 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.280 -1.382 -1.555 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.777 0.131 -4.255 1.00 6.35 C HETATM 1166 CBB HEC A 80 0.402 -1.309 -4.613 1.00 6.48 C HETATM 1167 NC HEC A 80 0.550 5.036 -2.082 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.549 4.478 -3.345 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.533 5.514 -4.349 1.00 5.77 C HETATM 1170 C3C HEC A 80 0.766 6.692 -3.693 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.671 6.399 -2.266 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.354 5.240 -5.823 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.104 8.057 -4.262 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.616 8.367 -5.681 1.00 10.94 C HETATM 1175 ND HEC A 80 0.675 5.755 0.662 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.646 7.029 0.141 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.488 7.985 1.221 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.515 7.286 2.396 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.791 5.911 2.034 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.228 9.453 1.003 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.182 7.805 3.787 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.796 7.164 5.045 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.610 8.091 6.238 1.00 6.46 C HETATM 1184 O1D HEC A 80 -0.168 7.759 7.127 1.00 8.25 O HETATM 1185 O2D HEC A 80 1.254 9.137 6.254 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.050 9.887 0.434 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.703 9.579 0.450 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.149 9.956 1.967 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.159 4.594 -6.173 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.604 4.747 -5.988 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 0.377 6.181 -6.373 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.474 -1.769 -0.870 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.270 -1.528 -1.124 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.215 -1.913 -2.504 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.749 -0.390 4.047 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -0.863 0.279 4.395 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.558 -0.548 2.849 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.322 6.202 5.243 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.857 6.970 4.885 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 1.045 7.648 -6.379 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.471 8.300 -5.714 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.927 9.374 -5.961 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 0.830 -1.990 -3.878 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -0.683 -1.413 -4.615 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 0.791 -1.551 -5.602 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.786 2.765 5.477 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 0.137 1.924 6.707 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.450 8.861 3.805 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.901 7.748 3.897 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.862 1.682 5.296 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.998 3.420 5.118 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.703 8.388 -1.498 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.886 2.790 -4.607 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.597 -0.122 0.907 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.468 5.129 3.897 1.00 5.52 H new