USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 265 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 30 THR OG1 : rot 28:sc= 0.278 USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.0591 (180deg=-0.299) USER MOD Single : A 34 SER OG : rot -18:sc= 1.05 USER MOD Single : A 39 HIS : no HE2:sc= -0.351 K(o=-0.35,f=-4.8!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 26:sc= 0.553 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= -0.0245 (180deg=-0.506) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N THR A 30 -7.977 -10.222 7.209 1.00 50.00 N ATOM 34 CA THR A 30 -7.158 -10.962 6.209 1.00 50.00 C ATOM 35 C THR A 30 -7.214 -10.246 4.856 1.00 50.00 C ATOM 36 O THR A 30 -8.249 -10.173 4.224 1.00 50.00 O ATOM 37 CB THR A 30 -7.804 -12.347 6.116 1.00 0.00 C ATOM 38 OG1 THR A 30 -7.852 -12.930 7.410 1.00 0.00 O ATOM 39 CG2 THR A 30 -6.980 -13.237 5.186 1.00 0.00 C ATOM 0 HA THR A 30 -6.107 -11.024 6.493 1.00 50.00 H new ATOM 0 HB THR A 30 -8.815 -12.251 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.894 -12.222 8.086 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.442 -14.222 5.122 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.941 -12.789 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.968 -13.336 5.579 1.00 0.00 H new ATOM 47 N CYS A 31 -6.109 -9.712 4.413 1.00 50.00 N ATOM 48 CA CYS A 31 -6.098 -8.993 3.105 1.00 50.00 C ATOM 49 C CYS A 31 -6.125 -9.988 1.940 1.00 50.00 C ATOM 50 O CYS A 31 -6.232 -9.606 0.792 1.00 50.00 O ATOM 51 CB CYS A 31 -4.788 -8.202 3.100 1.00 0.00 C ATOM 52 SG CYS A 31 -4.947 -6.752 4.170 1.00 0.00 S ATOM 0 H CYS A 31 -5.213 -9.742 4.899 1.00 50.00 H new ATOM 0 HA CYS A 31 -6.969 -8.349 2.987 1.00 50.00 H new ATOM 0 HB2 CYS A 31 -3.970 -8.833 3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.543 -7.891 2.084 1.00 0.00 H new ATOM 57 N LEU A 32 -6.027 -11.260 2.220 1.00 50.00 N ATOM 58 CA LEU A 32 -6.047 -12.263 1.116 1.00 50.00 C ATOM 59 C LEU A 32 -7.331 -12.120 0.295 1.00 50.00 C ATOM 60 O LEU A 32 -7.339 -12.313 -0.904 1.00 50.00 O ATOM 61 CB LEU A 32 -6.002 -13.626 1.807 1.00 0.00 C ATOM 62 CG LEU A 32 -4.684 -13.769 2.572 1.00 0.00 C ATOM 63 CD1 LEU A 32 -4.708 -15.061 3.391 1.00 0.00 C ATOM 64 CD2 LEU A 32 -3.522 -13.818 1.577 1.00 0.00 C ATOM 0 H LEU A 32 -5.934 -11.646 3.159 1.00 50.00 H new ATOM 0 HA LEU A 32 -5.212 -12.131 0.428 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -6.844 -13.726 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.094 -14.423 1.069 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.556 -12.917 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.770 -15.164 3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.537 -15.028 4.098 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.835 -15.913 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.582 -13.920 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.650 -14.670 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.505 -12.899 0.992 1.00 0.00 H new ATOM 76 N LYS A 33 -8.414 -11.781 0.935 1.00 50.00 N ATOM 77 CA LYS A 33 -9.700 -11.623 0.194 1.00 50.00 C ATOM 78 C LYS A 33 -9.627 -10.410 -0.736 1.00 50.00 C ATOM 79 O LYS A 33 -10.148 -10.423 -1.833 1.00 50.00 O ATOM 80 CB LYS A 33 -10.757 -11.407 1.277 1.00 0.00 C ATOM 81 CG LYS A 33 -10.968 -12.711 2.050 1.00 0.00 C ATOM 82 CD LYS A 33 -11.983 -12.481 3.172 1.00 0.00 C ATOM 83 CE LYS A 33 -12.112 -13.754 4.013 1.00 0.00 C ATOM 84 NZ LYS A 33 -11.352 -13.468 5.262 1.00 0.00 N ATOM 0 H LYS A 33 -8.467 -11.606 1.939 1.00 50.00 H new ATOM 0 HA LYS A 33 -9.927 -12.488 -0.429 1.00 50.00 H new ATOM 0 HB2 LYS A 33 -10.440 -10.616 1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.695 -11.083 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.324 -13.491 1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.022 -13.057 2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.665 -11.649 3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.951 -12.211 2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.156 -13.980 4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.701 -14.617 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.635 -14.141 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.333 -13.564 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.557 -12.499 5.579 1.00 0.00 H new ATOM 98 N SER A 34 -8.983 -9.364 -0.301 1.00 50.00 N ATOM 99 CA SER A 34 -8.873 -8.147 -1.156 1.00 50.00 C ATOM 100 C SER A 34 -7.812 -8.355 -2.240 1.00 50.00 C ATOM 101 O SER A 34 -7.779 -7.655 -3.232 1.00 50.00 O ATOM 102 CB SER A 34 -8.454 -7.030 -0.200 1.00 0.00 C ATOM 103 OG SER A 34 -7.173 -7.324 0.339 1.00 0.00 O ATOM 0 H SER A 34 -8.528 -9.298 0.609 1.00 50.00 H new ATOM 0 HA SER A 34 -9.807 -7.916 -1.669 1.00 50.00 H new ATOM 0 HB2 SER A 34 -8.428 -6.076 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.184 -6.931 0.603 1.00 0.00 H new ATOM 0 HG SER A 34 -6.980 -8.278 0.222 1.00 0.00 H new ATOM 109 N GLY A 35 -6.946 -9.315 -2.060 1.00 50.00 N ATOM 110 CA GLY A 35 -5.890 -9.568 -3.081 1.00 50.00 C ATOM 111 C GLY A 35 -4.651 -8.731 -2.753 1.00 50.00 C ATOM 112 O GLY A 35 -3.698 -8.695 -3.506 1.00 50.00 O ATOM 0 H GLY A 35 -6.924 -9.935 -1.250 1.00 50.00 H new ATOM 0 HA2 GLY A 35 -5.632 -10.627 -3.098 1.00 50.00 H new ATOM 0 HA3 GLY A 35 -6.261 -9.314 -4.074 1.00 50.00 H new ATOM 116 N ALA A 36 -4.656 -8.057 -1.636 1.00 50.00 N ATOM 117 CA ALA A 36 -3.478 -7.223 -1.262 1.00 50.00 C ATOM 118 C ALA A 36 -2.349 -8.108 -0.730 1.00 50.00 C ATOM 119 O ALA A 36 -2.585 -9.132 -0.122 1.00 50.00 O ATOM 120 CB ALA A 36 -3.990 -6.292 -0.162 1.00 0.00 C ATOM 0 H ALA A 36 -5.425 -8.047 -0.966 1.00 50.00 H new ATOM 0 HA ALA A 36 -3.075 -6.672 -2.112 1.00 50.00 H new ATOM 0 HB1 ALA A 36 -3.181 -5.642 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.807 -5.684 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.348 -6.885 0.680 1.00 0.00 H new ATOM 126 N ILE A 37 -1.123 -7.721 -0.953 1.00 50.00 N ATOM 127 CA ILE A 37 0.016 -8.544 -0.456 1.00 50.00 C ATOM 128 C ILE A 37 0.493 -8.009 0.893 1.00 50.00 C ATOM 129 O ILE A 37 0.344 -6.843 1.196 1.00 50.00 O ATOM 130 CB ILE A 37 1.109 -8.395 -1.516 1.00 0.00 C ATOM 131 CG1 ILE A 37 1.612 -6.950 -1.545 1.00 0.00 C ATOM 132 CG2 ILE A 37 0.538 -8.763 -2.885 1.00 0.00 C ATOM 133 CD1 ILE A 37 3.115 -6.941 -1.840 1.00 0.00 C ATOM 0 H ILE A 37 -0.861 -6.873 -1.456 1.00 50.00 H new ATOM 0 HA ILE A 37 -0.258 -9.588 -0.306 1.00 50.00 H new ATOM 0 HB ILE A 37 1.940 -9.058 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.077 -6.382 -2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.415 -6.465 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.314 -8.658 -3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.186 -9.794 -2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.293 -8.100 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.475 -5.913 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.642 -7.494 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.299 -7.410 -2.807 1.00 0.00 H new ATOM 145 N CYS A 38 1.059 -8.851 1.709 1.00 50.00 N ATOM 146 CA CYS A 38 1.538 -8.385 3.039 1.00 50.00 C ATOM 147 C CYS A 38 3.050 -8.150 3.002 1.00 50.00 C ATOM 148 O CYS A 38 3.793 -8.906 2.410 1.00 50.00 O ATOM 149 CB CYS A 38 1.182 -9.518 4.002 1.00 0.00 C ATOM 150 SG CYS A 38 -0.613 -9.760 3.994 1.00 0.00 S ATOM 0 H CYS A 38 1.211 -9.841 1.514 1.00 50.00 H new ATOM 0 HA CYS A 38 1.084 -7.441 3.341 1.00 50.00 H new ATOM 0 HB2 CYS A 38 1.687 -10.437 3.704 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.525 -9.278 5.008 1.00 0.00 H new ATOM 155 N HIS A 39 3.508 -7.102 3.631 1.00 50.00 N ATOM 156 CA HIS A 39 4.971 -6.808 3.636 1.00 50.00 C ATOM 157 C HIS A 39 5.509 -6.852 5.068 1.00 50.00 C ATOM 158 O HIS A 39 4.895 -6.335 5.979 1.00 50.00 O ATOM 159 CB HIS A 39 5.097 -5.396 3.062 1.00 0.00 C ATOM 160 CG HIS A 39 6.535 -5.121 2.714 1.00 0.00 C ATOM 161 ND1 HIS A 39 7.460 -4.700 3.659 1.00 0.00 N ATOM 162 CD2 HIS A 39 7.225 -5.203 1.529 1.00 0.00 C ATOM 163 CE1 HIS A 39 8.642 -4.548 3.033 1.00 0.00 C ATOM 164 NE2 HIS A 39 8.555 -4.842 1.734 1.00 0.00 N ATOM 0 H HIS A 39 2.931 -6.435 4.143 1.00 50.00 H new ATOM 0 HA HIS A 39 5.540 -7.534 3.056 1.00 50.00 H new ATOM 0 HB2 HIS A 39 4.472 -5.296 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.741 -4.664 3.787 1.00 0.00 H new ATOM 0 HD1 HIS A 39 7.277 -4.535 4.649 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.801 -5.502 0.582 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.550 -4.227 3.522 1.00 0.00 H new ATOM 172 N PRO A 40 6.644 -7.475 5.217 1.00 50.00 N ATOM 173 CA PRO A 40 7.276 -7.596 6.553 1.00 50.00 C ATOM 174 C PRO A 40 7.843 -6.245 7.003 1.00 50.00 C ATOM 175 O PRO A 40 8.006 -5.336 6.214 1.00 50.00 O ATOM 176 CB PRO A 40 8.401 -8.601 6.325 1.00 0.00 C ATOM 177 CG PRO A 40 8.719 -8.497 4.867 1.00 0.00 C ATOM 178 CD PRO A 40 7.439 -8.122 4.166 1.00 0.00 C ATOM 0 HA PRO A 40 6.577 -7.908 7.329 1.00 50.00 H new ATOM 0 HB2 PRO A 40 9.272 -8.365 6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.089 -9.611 6.590 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.489 -7.746 4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.104 -9.443 4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.623 -7.447 3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.932 -8.998 3.762 1.00 0.00 H new ATOM 186 N VAL A 41 8.149 -6.116 8.266 1.00 50.00 N ATOM 187 CA VAL A 41 8.716 -4.834 8.779 1.00 50.00 C ATOM 188 C VAL A 41 7.739 -3.670 8.563 1.00 50.00 C ATOM 189 O VAL A 41 7.010 -3.291 9.458 1.00 50.00 O ATOM 190 CB VAL A 41 10.003 -4.622 7.979 1.00 0.00 C ATOM 191 CG1 VAL A 41 10.722 -3.375 8.496 1.00 0.00 C ATOM 192 CG2 VAL A 41 10.913 -5.842 8.150 1.00 0.00 C ATOM 0 H VAL A 41 8.030 -6.846 8.968 1.00 50.00 H new ATOM 0 HA VAL A 41 8.903 -4.875 9.852 1.00 50.00 H new ATOM 0 HB VAL A 41 9.761 -4.492 6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.639 -3.222 7.927 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.074 -2.507 8.379 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.966 -3.507 9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.831 -5.694 7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 41 11.156 -5.969 9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.400 -6.732 7.786 1.00 0.00 H new ATOM 202 N PHE A 42 7.721 -3.092 7.391 1.00 50.00 N ATOM 203 CA PHE A 42 6.794 -1.948 7.145 1.00 50.00 C ATOM 204 C PHE A 42 6.483 -1.816 5.651 1.00 50.00 C ATOM 205 O PHE A 42 7.262 -2.213 4.806 1.00 50.00 O ATOM 206 CB PHE A 42 7.551 -0.716 7.647 1.00 0.00 C ATOM 207 CG PHE A 42 8.652 -0.361 6.673 1.00 0.00 C ATOM 208 CD1 PHE A 42 8.342 0.280 5.467 1.00 0.00 C ATOM 209 CD2 PHE A 42 9.984 -0.671 6.976 1.00 0.00 C ATOM 210 CE1 PHE A 42 9.361 0.610 4.565 1.00 0.00 C ATOM 211 CE2 PHE A 42 11.003 -0.341 6.075 1.00 0.00 C ATOM 212 CZ PHE A 42 10.693 0.299 4.870 1.00 0.00 C ATOM 0 H PHE A 42 8.304 -3.360 6.598 1.00 50.00 H new ATOM 0 HA PHE A 42 5.837 -2.079 7.651 1.00 50.00 H new ATOM 0 HB2 PHE A 42 6.865 0.124 7.757 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.974 -0.914 8.632 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.316 0.520 5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.225 -1.165 7.906 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.121 1.104 3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.030 -0.581 6.310 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.480 0.553 4.175 1.00 0.00 H new ATOM 222 N CYS A 43 5.353 -1.250 5.319 1.00 50.00 N ATOM 223 CA CYS A 43 4.994 -1.081 3.881 1.00 50.00 C ATOM 224 C CYS A 43 5.771 0.097 3.288 1.00 50.00 C ATOM 225 O CYS A 43 5.800 1.169 3.860 1.00 50.00 O ATOM 226 CB CYS A 43 3.494 -0.783 3.879 1.00 0.00 C ATOM 227 SG CYS A 43 2.751 -1.434 2.363 1.00 0.00 S ATOM 0 H CYS A 43 4.663 -0.897 5.982 1.00 50.00 H new ATOM 0 HA CYS A 43 5.235 -1.962 3.286 1.00 50.00 H new ATOM 0 HB2 CYS A 43 3.022 -1.235 4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.326 0.292 3.946 1.00 0.00 H new ATOM 232 N PRO A 44 6.378 -0.141 2.159 1.00 50.00 N ATOM 233 CA PRO A 44 7.164 0.918 1.484 1.00 50.00 C ATOM 234 C PRO A 44 6.239 1.987 0.908 1.00 50.00 C ATOM 235 O PRO A 44 5.087 2.099 1.279 1.00 50.00 O ATOM 236 CB PRO A 44 7.895 0.173 0.373 1.00 0.00 C ATOM 237 CG PRO A 44 7.052 -1.031 0.103 1.00 0.00 C ATOM 238 CD PRO A 44 6.389 -1.400 1.407 1.00 0.00 C ATOM 0 HA PRO A 44 7.844 1.439 2.158 1.00 50.00 H new ATOM 0 HB2 PRO A 44 7.997 0.792 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.901 -0.110 0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.306 -0.817 -0.663 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.662 -1.855 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.380 -1.781 1.250 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.945 -2.176 1.933 1.00 0.00 H new ATOM 246 N ARG A 45 6.739 2.772 0.003 1.00 50.00 N ATOM 247 CA ARG A 45 5.902 3.845 -0.608 1.00 50.00 C ATOM 248 C ARG A 45 5.090 3.271 -1.769 1.00 50.00 C ATOM 249 O ARG A 45 3.933 3.593 -1.952 1.00 50.00 O ATOM 250 CB ARG A 45 6.895 4.901 -1.111 1.00 0.00 C ATOM 251 CG ARG A 45 8.043 5.059 -0.108 1.00 0.00 C ATOM 252 CD ARG A 45 8.838 6.323 -0.436 1.00 0.00 C ATOM 253 NE ARG A 45 9.698 5.943 -1.592 1.00 0.00 N ATOM 254 CZ ARG A 45 10.055 6.846 -2.465 1.00 0.00 C ATOM 255 NH1 ARG A 45 9.564 6.815 -3.673 1.00 0.00 N ATOM 256 NH2 ARG A 45 10.903 7.777 -2.129 1.00 0.00 N ATOM 0 H ARG A 45 7.696 2.720 -0.345 1.00 50.00 H new ATOM 0 HA ARG A 45 5.193 4.271 0.102 1.00 50.00 H new ATOM 0 HB2 ARG A 45 7.289 4.608 -2.084 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.386 5.855 -1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.648 5.118 0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.695 4.187 -0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.177 7.151 -0.690 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.439 6.644 0.415 1.00 0.00 H new ATOM 0 HE ARG A 45 10.008 4.977 -1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.901 6.085 -3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.843 7.520 -4.355 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.287 7.800 -1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.182 8.483 -2.811 1.00 0.00 H new ATOM 270 N ARG A 46 5.689 2.416 -2.548 1.00 50.00 N ATOM 271 CA ARG A 46 4.958 1.809 -3.696 1.00 50.00 C ATOM 272 C ARG A 46 3.761 1.003 -3.186 1.00 50.00 C ATOM 273 O ARG A 46 2.868 0.657 -3.934 1.00 50.00 O ATOM 274 CB ARG A 46 5.975 0.888 -4.370 1.00 0.00 C ATOM 275 CG ARG A 46 5.330 0.212 -5.582 1.00 0.00 C ATOM 276 CD ARG A 46 6.397 -0.564 -6.357 1.00 0.00 C ATOM 277 NE ARG A 46 7.437 0.449 -6.691 1.00 0.00 N ATOM 278 CZ ARG A 46 7.332 1.155 -7.783 1.00 0.00 C ATOM 279 NH1 ARG A 46 7.193 2.452 -7.712 1.00 0.00 N ATOM 280 NH2 ARG A 46 7.365 0.564 -8.946 1.00 0.00 N ATOM 0 H ARG A 46 6.656 2.110 -2.440 1.00 50.00 H new ATOM 0 HA ARG A 46 4.570 2.559 -4.385 1.00 50.00 H new ATOM 0 HB2 ARG A 46 6.849 1.460 -4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.323 0.135 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.538 -0.462 -5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.868 0.960 -6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.812 -1.373 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.981 -1.016 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 46 8.231 0.591 -6.066 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.167 2.913 -6.803 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.111 3.004 -8.566 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.473 -0.449 -9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.283 1.115 -9.801 1.00 0.00 H new ATOM 294 N TYR A 47 3.740 0.697 -1.917 1.00 50.00 N ATOM 295 CA TYR A 47 2.603 -0.091 -1.360 1.00 50.00 C ATOM 296 C TYR A 47 1.947 0.661 -0.200 1.00 50.00 C ATOM 297 O TYR A 47 2.613 1.174 0.678 1.00 50.00 O ATOM 298 CB TYR A 47 3.229 -1.392 -0.856 1.00 0.00 C ATOM 299 CG TYR A 47 3.674 -2.232 -2.028 1.00 0.00 C ATOM 300 CD1 TYR A 47 4.858 -1.915 -2.704 1.00 0.00 C ATOM 301 CD2 TYR A 47 2.907 -3.330 -2.437 1.00 0.00 C ATOM 302 CE1 TYR A 47 5.275 -2.695 -3.789 1.00 0.00 C ATOM 303 CE2 TYR A 47 3.323 -4.109 -3.523 1.00 0.00 C ATOM 304 CZ TYR A 47 4.507 -3.792 -4.199 1.00 0.00 C ATOM 305 OH TYR A 47 4.917 -4.560 -5.270 1.00 0.00 O ATOM 0 H TYR A 47 4.460 0.958 -1.243 1.00 50.00 H new ATOM 0 HA TYR A 47 1.827 -0.267 -2.105 1.00 50.00 H new ATOM 0 HB2 TYR A 47 4.080 -1.171 -0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.507 -1.944 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.450 -1.069 -2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.994 -3.576 -1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.189 -2.451 -4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.730 -4.955 -3.839 1.00 0.00 H new ATOM 0 HH TYR A 47 4.271 -5.281 -5.421 1.00 0.00 H new ATOM 315 N LYS A 48 0.645 0.720 -0.184 1.00 50.00 N ATOM 316 CA LYS A 48 -0.054 1.425 0.926 1.00 50.00 C ATOM 317 C LYS A 48 -0.512 0.406 1.974 1.00 50.00 C ATOM 318 O LYS A 48 -0.992 -0.661 1.646 1.00 50.00 O ATOM 319 CB LYS A 48 -1.252 2.111 0.270 1.00 0.00 C ATOM 320 CG LYS A 48 -0.765 3.326 -0.523 1.00 0.00 C ATOM 321 CD LYS A 48 -1.964 4.049 -1.142 1.00 0.00 C ATOM 322 CE LYS A 48 -1.465 5.210 -2.004 1.00 0.00 C ATOM 323 NZ LYS A 48 -2.690 5.762 -2.649 1.00 0.00 N ATOM 0 H LYS A 48 0.035 0.311 -0.891 1.00 50.00 H new ATOM 0 HA LYS A 48 0.586 2.144 1.437 1.00 50.00 H new ATOM 0 HB2 LYS A 48 -1.768 1.414 -0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.969 2.421 1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.217 4.004 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.075 3.010 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.548 3.356 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.624 4.421 -0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.963 5.965 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.746 4.869 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.430 6.564 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.143 5.023 -3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.353 6.085 -1.916 1.00 0.00 H new ATOM 337 N GLN A 49 -0.356 0.718 3.231 1.00 50.00 N ATOM 338 CA GLN A 49 -0.770 -0.243 4.294 1.00 50.00 C ATOM 339 C GLN A 49 -2.247 -0.059 4.652 1.00 50.00 C ATOM 340 O GLN A 49 -2.616 0.867 5.349 1.00 50.00 O ATOM 341 CB GLN A 49 0.117 0.090 5.493 1.00 0.00 C ATOM 342 CG GLN A 49 -0.183 -0.883 6.636 1.00 0.00 C ATOM 343 CD GLN A 49 0.939 -0.810 7.673 1.00 0.00 C ATOM 344 OE1 GLN A 49 2.076 -1.122 7.378 1.00 0.00 O ATOM 345 NE2 GLN A 49 0.665 -0.411 8.884 1.00 0.00 N ATOM 0 H GLN A 49 0.040 1.595 3.569 1.00 50.00 H new ATOM 0 HA GLN A 49 -0.657 -1.278 3.972 1.00 50.00 H new ATOM 0 HB2 GLN A 49 1.168 0.024 5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.062 1.115 5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.138 -0.634 7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.271 -1.899 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.289 -0.149 9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.405 -0.361 9.584 1.00 0.00 H new ATOM 354 N ILE A 50 -3.093 -0.942 4.193 1.00 50.00 N ATOM 355 CA ILE A 50 -4.544 -0.824 4.517 1.00 50.00 C ATOM 356 C ILE A 50 -4.748 -0.953 6.027 1.00 50.00 C ATOM 357 O ILE A 50 -5.673 -0.403 6.591 1.00 50.00 O ATOM 358 CB ILE A 50 -5.212 -1.989 3.788 1.00 0.00 C ATOM 359 CG1 ILE A 50 -5.076 -1.792 2.278 1.00 0.00 C ATOM 360 CG2 ILE A 50 -6.696 -2.040 4.163 1.00 0.00 C ATOM 361 CD1 ILE A 50 -5.469 -3.084 1.558 1.00 0.00 C ATOM 0 H ILE A 50 -2.842 -1.739 3.608 1.00 50.00 H new ATOM 0 HA ILE A 50 -4.961 0.136 4.213 1.00 50.00 H new ATOM 0 HB ILE A 50 -4.730 -2.923 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.713 -0.971 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.051 -1.520 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.174 -2.871 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.795 -2.180 5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.177 -1.106 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.372 -2.944 0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.813 -3.893 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.502 -3.336 1.800 1.00 0.00 H new ATOM 373 N GLY A 51 -3.886 -1.677 6.685 1.00 50.00 N ATOM 374 CA GLY A 51 -4.022 -1.846 8.158 1.00 50.00 C ATOM 375 C GLY A 51 -3.029 -2.904 8.644 1.00 50.00 C ATOM 376 O GLY A 51 -1.899 -2.602 8.975 1.00 50.00 O ATOM 0 H GLY A 51 -3.092 -2.160 6.265 1.00 50.00 H new ATOM 0 HA2 GLY A 51 -3.835 -0.898 8.662 1.00 50.00 H new ATOM 0 HA3 GLY A 51 -5.040 -2.145 8.408 1.00 50.00 H new ATOM 380 N THR A 52 -3.440 -4.140 8.691 1.00 50.00 N ATOM 381 CA THR A 52 -2.517 -5.214 9.158 1.00 50.00 C ATOM 382 C THR A 52 -2.885 -6.552 8.506 1.00 50.00 C ATOM 383 O THR A 52 -4.020 -6.984 8.551 1.00 50.00 O ATOM 384 CB THR A 52 -2.723 -5.285 10.673 1.00 0.00 C ATOM 385 OG1 THR A 52 -4.061 -5.680 10.949 1.00 0.00 O ATOM 386 CG2 THR A 52 -2.450 -3.914 11.300 1.00 0.00 C ATOM 0 H THR A 52 -4.374 -4.454 8.427 1.00 50.00 H new ATOM 0 HA THR A 52 -1.480 -5.006 8.896 1.00 50.00 H new ATOM 0 HB THR A 52 -2.033 -6.014 11.098 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.412 -6.198 10.194 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.598 -3.971 12.378 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.423 -3.616 11.090 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.135 -3.178 10.878 1.00 0.00 H new ATOM 394 N CYS A 53 -1.932 -7.211 7.905 1.00 50.00 N ATOM 395 CA CYS A 53 -2.221 -8.523 7.256 1.00 50.00 C ATOM 396 C CYS A 53 -2.974 -9.433 8.225 1.00 50.00 C ATOM 397 O CYS A 53 -3.965 -10.046 7.884 1.00 50.00 O ATOM 398 CB CYS A 53 -0.847 -9.114 6.944 1.00 0.00 C ATOM 399 SG CYS A 53 -1.029 -10.520 5.818 1.00 0.00 S ATOM 0 H CYS A 53 -0.964 -6.897 7.835 1.00 50.00 H new ATOM 0 HA CYS A 53 -2.839 -8.417 6.365 1.00 50.00 H new ATOM 0 HB2 CYS A 53 -0.208 -8.355 6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.360 -9.434 7.865 1.00 0.00 H new ATOM 404 N GLY A 54 -2.496 -9.521 9.429 1.00 50.00 N ATOM 405 CA GLY A 54 -3.157 -10.387 10.445 1.00 50.00 C ATOM 406 C GLY A 54 -2.233 -10.513 11.657 1.00 50.00 C ATOM 407 O GLY A 54 -2.671 -10.516 12.790 1.00 50.00 O ATOM 0 H GLY A 54 -1.667 -9.026 9.759 1.00 50.00 H new ATOM 0 HA2 GLY A 54 -4.114 -9.958 10.742 1.00 50.00 H new ATOM 0 HA3 GLY A 54 -3.366 -11.371 10.025 1.00 50.00 H new ATOM 411 N LEU A 55 -0.953 -10.609 11.421 1.00 50.00 N ATOM 412 CA LEU A 55 0.011 -10.726 12.551 1.00 50.00 C ATOM 413 C LEU A 55 0.990 -9.549 12.520 1.00 50.00 C ATOM 414 O LEU A 55 1.184 -8.931 11.492 1.00 50.00 O ATOM 415 CB LEU A 55 0.749 -12.045 12.307 1.00 0.00 C ATOM 416 CG LEU A 55 -0.230 -13.212 12.449 1.00 0.00 C ATOM 417 CD1 LEU A 55 -1.120 -13.287 11.206 1.00 0.00 C ATOM 418 CD2 LEU A 55 0.553 -14.519 12.594 1.00 0.00 C ATOM 0 H LEU A 55 -0.533 -10.611 10.492 1.00 50.00 H new ATOM 0 HA LEU A 55 -0.481 -10.711 13.524 1.00 50.00 H new ATOM 0 HB2 LEU A 55 1.192 -12.047 11.311 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.567 -12.154 13.020 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.851 -13.059 13.332 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.817 -14.119 11.307 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.678 -12.356 11.101 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.500 -13.440 10.323 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.144 -15.351 12.695 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.174 -14.671 11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.187 -14.467 13.479 1.00 0.00 H new ATOM 430 N PRO A 56 1.577 -9.279 13.653 1.00 50.00 N ATOM 431 CA PRO A 56 2.547 -8.163 13.757 1.00 50.00 C ATOM 432 C PRO A 56 3.841 -8.513 13.015 1.00 50.00 C ATOM 433 O PRO A 56 4.696 -7.675 12.812 1.00 50.00 O ATOM 434 CB PRO A 56 2.790 -8.039 15.260 1.00 0.00 C ATOM 435 CG PRO A 56 2.464 -9.389 15.814 1.00 0.00 C ATOM 436 CD PRO A 56 1.394 -9.977 14.930 1.00 0.00 C ATOM 0 HA PRO A 56 2.187 -7.235 13.314 1.00 50.00 H new ATOM 0 HB2 PRO A 56 3.823 -7.764 15.472 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.158 -7.268 15.700 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.349 -10.026 15.826 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.114 -9.310 16.843 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.514 -11.055 14.818 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.398 -9.808 15.340 1.00 0.00 H new ATOM 444 N GLY A 57 3.988 -9.744 12.607 1.00 50.00 N ATOM 445 CA GLY A 57 5.222 -10.143 11.874 1.00 50.00 C ATOM 446 C GLY A 57 5.243 -9.456 10.507 1.00 50.00 C ATOM 447 O GLY A 57 6.264 -8.971 10.061 1.00 50.00 O ATOM 0 H GLY A 57 3.307 -10.490 12.750 1.00 50.00 H new ATOM 0 HA2 GLY A 57 6.106 -9.864 12.448 1.00 50.00 H new ATOM 0 HA3 GLY A 57 5.251 -11.226 11.750 1.00 50.00 H new ATOM 451 N THR A 58 4.121 -9.408 9.841 1.00 50.00 N ATOM 452 CA THR A 58 4.075 -8.751 8.503 1.00 50.00 C ATOM 453 C THR A 58 2.953 -7.711 8.461 1.00 50.00 C ATOM 454 O THR A 58 2.067 -7.704 9.293 1.00 50.00 O ATOM 455 CB THR A 58 3.784 -9.880 7.512 1.00 0.00 C ATOM 456 OG1 THR A 58 4.577 -11.013 7.838 1.00 0.00 O ATOM 457 CG2 THR A 58 4.115 -9.411 6.094 1.00 0.00 C ATOM 0 H THR A 58 3.235 -9.795 10.165 1.00 50.00 H new ATOM 0 HA THR A 58 5.005 -8.231 8.272 1.00 50.00 H new ATOM 0 HB THR A 58 2.729 -10.150 7.566 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.389 -11.737 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.908 -10.215 5.387 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.504 -8.543 5.846 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.169 -9.140 6.037 1.00 0.00 H new ATOM 465 N LYS A 59 2.981 -6.838 7.494 1.00 50.00 N ATOM 466 CA LYS A 59 1.915 -5.804 7.391 1.00 50.00 C ATOM 467 C LYS A 59 1.165 -5.965 6.067 1.00 50.00 C ATOM 468 O LYS A 59 1.705 -6.453 5.097 1.00 50.00 O ATOM 469 CB LYS A 59 2.653 -4.466 7.437 1.00 0.00 C ATOM 470 CG LYS A 59 3.354 -4.316 8.788 1.00 0.00 C ATOM 471 CD LYS A 59 2.309 -4.273 9.905 1.00 0.00 C ATOM 472 CE LYS A 59 3.016 -4.169 11.257 1.00 0.00 C ATOM 473 NZ LYS A 59 3.518 -2.768 11.316 1.00 0.00 N ATOM 0 H LYS A 59 3.697 -6.796 6.769 1.00 50.00 H new ATOM 0 HA LYS A 59 1.177 -5.883 8.189 1.00 50.00 H new ATOM 0 HB2 LYS A 59 3.383 -4.413 6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.951 -3.646 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.039 -5.149 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.952 -3.405 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.644 -3.421 9.763 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.690 -5.170 9.874 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.331 -4.379 12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.834 -4.886 11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.674 -2.497 12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.414 -2.698 10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.817 -2.130 10.889 1.00 0.00 H new ATOM 487 N CYS A 60 -0.074 -5.566 6.016 1.00 50.00 N ATOM 488 CA CYS A 60 -0.842 -5.709 4.747 1.00 50.00 C ATOM 489 C CYS A 60 -0.492 -4.572 3.782 1.00 50.00 C ATOM 490 O CYS A 60 -0.556 -3.409 4.125 1.00 50.00 O ATOM 491 CB CYS A 60 -2.312 -5.633 5.162 1.00 0.00 C ATOM 492 SG CYS A 60 -3.357 -5.602 3.683 1.00 0.00 S ATOM 0 H CYS A 60 -0.587 -5.149 6.793 1.00 50.00 H new ATOM 0 HA CYS A 60 -0.614 -6.641 4.230 1.00 50.00 H new ATOM 0 HB2 CYS A 60 -2.570 -6.490 5.784 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.486 -4.740 5.762 1.00 0.00 H new ATOM 497 N CYS A 61 -0.125 -4.904 2.575 1.00 50.00 N ATOM 498 CA CYS A 61 0.225 -3.849 1.580 1.00 50.00 C ATOM 499 C CYS A 61 -0.611 -4.033 0.310 1.00 50.00 C ATOM 500 O CYS A 61 -1.015 -5.128 -0.024 1.00 50.00 O ATOM 501 CB CYS A 61 1.709 -4.061 1.281 1.00 0.00 C ATOM 502 SG CYS A 61 2.701 -3.430 2.657 1.00 0.00 S ATOM 0 H CYS A 61 -0.052 -5.862 2.233 1.00 50.00 H new ATOM 0 HA CYS A 61 0.027 -2.844 1.952 1.00 50.00 H new ATOM 0 HB2 CYS A 61 1.912 -5.121 1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.981 -3.549 0.358 1.00 0.00 H new ATOM 507 N LYS A 62 -0.879 -2.970 -0.400 1.00 50.00 N ATOM 508 CA LYS A 62 -1.694 -3.092 -1.644 1.00 50.00 C ATOM 509 C LYS A 62 -1.088 -2.249 -2.770 1.00 50.00 C ATOM 510 O LYS A 62 -0.549 -1.184 -2.541 1.00 50.00 O ATOM 511 CB LYS A 62 -3.076 -2.560 -1.261 1.00 0.00 C ATOM 512 CG LYS A 62 -4.060 -2.819 -2.404 1.00 0.00 C ATOM 513 CD LYS A 62 -5.457 -2.355 -1.985 1.00 0.00 C ATOM 514 CE LYS A 62 -6.419 -2.500 -3.165 1.00 0.00 C ATOM 515 NZ LYS A 62 -7.737 -2.048 -2.635 1.00 0.00 N ATOM 0 H LYS A 62 -0.570 -2.025 -0.173 1.00 50.00 H new ATOM 0 HA LYS A 62 -1.734 -4.118 -2.009 1.00 50.00 H new ATOM 0 HB2 LYS A 62 -3.425 -3.047 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.020 -1.492 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.742 -2.287 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.076 -3.880 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.810 -2.946 -1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.423 -1.317 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.102 -1.891 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.465 -3.532 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.455 -2.117 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.014 -2.651 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.663 -1.061 -2.316 1.00 0.00 H new ATOM 529 N LYS A 63 -1.176 -2.717 -3.986 1.00 50.00 N ATOM 530 CA LYS A 63 -0.608 -1.943 -5.129 1.00 50.00 C ATOM 531 C LYS A 63 -1.577 -0.834 -5.553 1.00 50.00 C ATOM 532 O LYS A 63 -2.779 -0.993 -5.469 1.00 50.00 O ATOM 533 CB LYS A 63 -0.438 -2.965 -6.254 1.00 0.00 C ATOM 534 CG LYS A 63 0.553 -4.046 -5.817 1.00 0.00 C ATOM 535 CD LYS A 63 0.959 -4.890 -7.030 1.00 0.00 C ATOM 536 CE LYS A 63 -0.246 -5.694 -7.521 1.00 0.00 C ATOM 537 NZ LYS A 63 0.208 -6.327 -8.792 1.00 0.00 N ATOM 0 H LYS A 63 -1.617 -3.602 -4.238 1.00 50.00 H new ATOM 0 HA LYS A 63 0.334 -1.459 -4.871 1.00 50.00 H new ATOM 0 HB2 LYS A 63 -1.400 -3.416 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.079 -2.471 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.434 -3.587 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.102 -4.680 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.328 -4.245 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.773 -5.563 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.544 -6.445 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.110 -5.050 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.565 -6.897 -9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.479 -5.587 -9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.027 -6.939 -8.602 1.00 0.00 H new